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Institute
An improved two-center model has been used to describe the elastic scattering potentials for the collision of identical nuclei. The macroscopic-microscopic approach includes liquid drop (LD) deformation energies, shell corrections and pairing energy corrections. As basis for the microscopic part a two-center shell model has been used with a Hamiltonian including a Thomas-type spin-orbit potential and an l2 correction term. The model is applied to the sudden and adiabatic type of scattering process, including a compression energy term in the LD part for the former case. Results are given as potential energy surfaces for the adiabatic scattering process and potential energy curves for the sudden scattering process.
During collisions of heavy ions with heavy targets below the Coulomb barrier, adiabatic molecular orbitals are formed for the inner electrons. Deviations from adiabaticity lead to coupling between various states and can be treated by time-dependent perturbation theory. For high charges ( Z1+Z2 ≧ 60) the molecular electrons are highly relativistic. Therefore, the Dirac equation has to be used to obtain the energies and wave functions. The Dirac Hamiltonian is transformed into the intrinsic rotating coordinate system where prolate spheroidal coordinates are introduced. A set of basis functions is proposed which allows the evaluation of all matrix elements of the Dirac Hamiltonian analytically. The resulting matrix is diagonalized numerically. The finite nuclear charge distribution is also taken into account. Results are presented and discussed for various characteristic systems, e. g. Br-Br, Ni-Ni, I-I, Br-Zr, I-Au, U -U, etc.
Coupled channel calculations for Coulomb and nuclear excitation of the systems 136Xe-238U and 238U-238U have been performed using the rotation-vibration model. The impact parameter-, energy-and spin-dependence of the excitation probabilities are discussed for the ground state-, β-and γ-band up to Jπ = 36+. It is shown that the energy levels and quadrupole matrix elements are strongly influenced by the rotation-vibration interaction. Analytic expressions for the elastic and coupling potentials are presented.
Light-particle accompanied fission is expected to yield results from which one hopes to learn more about binary scission configurations. As a step in this direction, we present a model that allows the calculation of the probabilities with which a given three-particle setup follows from different binary configurations. First results show the workability of the model.
The temporal development of macroobservables is described within a correlation-functionformalism. The results are exact for a certain class of initial ensembles. The same problem is discussed with the help of the linear-response-formalism. The results agree under certain conditions which should be fulfilled for macroobservables.
For experiments on fission-fragment induced desorption the detection of significant correlations between desorbed ions has been reported [1]. In this paper the method for the detection and quantitative description of these correlations will be described. The statistics of the desorption-process leads to equations for mass-line intensities of ion spectra. Using a time-to-amplitude-converter for flight-time measurements these intensities depend on interdependences of different ions desorbed by the same fission-fragment. The equations allow the computation of correlationcoefficients whose interdependence with desorption probabilities of the respective ions can be shown in Venn-diagrams. Results are given and an interpretation is suggested for fission-fragment desorbed thiamine molecular and fragment ions.
The master operators B which cause the entropy production dH/dt = - k-1 dS/dt to become extremal for fixed statistical operators W are constructed and discussed. There are boundaries of the set B of master operators, B = {B | Σ B2vu = b} for which the problem is solvable yielding minimal entropy production, while no solution exists in the set B without any constraints. Operators with maximal entropy production must be extremal points of B.
Two equations for the macroscopic part W of the statistical operator are considered:
1. the master equation W = — MW, t
2. the exact equation W = — J K(t — r) W (r) dr.
It follows from the physical equivalence of the solutions together with a stability assumption and the assumption that there is a time τ* after which also the derivatives of the solutions are equivalent, that τ* is the life-time of the kernel K and that Conversely, the equivalence of the solutions follows from assumptions on the life-time of the kernel K together with a stability assumption and a smoothness assumption on the initial statistical operator W(0).
The reactions of diluted aqueous solutions of SO2 resp. HSO3-ions with MnO4-or Ce4+ ions in the pH range 1-4 produce chemiluminescence in the spectral region of 450-600 nm. Measurements of the time course of the light emission and their simulation on an analog computer led to a reaction scheme in which a recombination product of primarily formed HSO3 radicals -of a lifetime of about 1 second -appears as precursor of electronically excited SO2 molecules. The participation of singlet oxygen can be excluded because at least the reaction with Ce4+ ions proceeds also in the absence of oxygen.
We present a unified formulation of the interaction of electrons with the electromagnetic field in heavy ion collisions, based on quantized interacting fields. This reduces the effort in treating many-electron systems substantially, as compared with the usual S-matrix theory. Both formalisms are shown to be equivalent. The simplification achieved by our new approach is demonstrated in detail for the example of quasi-molecular radiation.
Ion formation from alkali halide solids caused by the irradiation of high power (some 108 W/ cm2) pulsed lasers is investigated by means of time-of-flight mass spectrometry (LAMMA®). It is shown that the ions are formed directly from the solid state, several uppermost atomic layers being involved; gas phase interactions are negligible. The ion formation rates, however, are in-compatible with the assumption of a quasiequilibrium phase transition, but should be explained in terms of non-adiabatic rate processes discussed in some detail. The light absorption of the transparent halide crystals is assumed to be initiated by multiphoton absorption - free electron production; the further energy transfer being maintained by rapid polaron-Joule-heating. The data are compatible with this model.
The anion transport protein of the human erythrocyte membrane, band 3, was solubilized and purified in solutions of the non-ionic detergent nonaethylene glycol lauryl ether and then reconstituted in spherical egg phosphatidylcholine bilayers as described earlier (U. Scheuring, K. Kollewe, W. Haase, and D. Schubert, J. Membrane Biol. 90, 123-135 (1986)). The resulting paucilamellar proteoliposom es of average diameter 70 nm were transformed into smaller vesicles by French press treatment and fractionated according to size by gel filtration. The smallest protein-containing liposomes obtained had diameters around 32 nm; still smaller vesicles were free of protein. All proteoliposome samples studied showed a rapid sulfate efflux which was sensitive to specific inhibitors of band 3-mediated anion exchange. In addition, the orientation of the transport protein in the vesicle membranes was found to be “right-side-out” in all samples. This suggests that the orientation of the protein in the vesicle membranes is dictated by the shape of the protein’s intramembrane domain and that this domain has the form of a truncated cone or pyramid.
Time-resolved Fourier transform infrared difference spectra of the phosphoenzyme conversion and Ca(2+) release reaction (Ca(2)E(1)-P --> E(2)-P) of the sarcoplasmic reticulum Ca(2+)-ATPase were recorded at pH 7 and 1 degrees C in H(2)O and (2)H(2)O. In the amide I spectral region, the spectra indicate backbone conformational changes preserving conformational changes of the preceding phosphorylation step. beta-sheet or turn structures (band at 1685 cm(-1)) and alpha-helical structures (band at 1653 cm(-1)) seem to be involved. Spectra of the model compound EDTA for Ca(2+) chelation indicate the assignment of bands at 1570, 1554, 1411 and 1399 cm(-1) to Ca(2+) chelating Asp and Glu carboxylate groups partially shielded from the aqueous environment. In addition, an E(2)-P band at 1638 cm(-1) has been tentatively assigned to a carboxylate group in a special environment. A Tyr residue seems to be involved in the reaction (band at 1517 cm(-1) in H(2)O and 1515 cm(-1) in (2)H(2)O). A band at 1192 cm(-1) was shown by isotopic replacement in the gamma-phosphate of ATP to originate from the E(2)-P phosphate group. This is a clear indication that the immediate environment of the phosphoenzyme phosphate group changes in the conversion reaction, altering phosphate geometry and/or electron distribution.
The effect of a single site mutation of Arg-54 to methionine in Paracoccus denitrificans cytochrome c oxidase was studied using a combination of optical spectroscopy, electrochemical and rapid kinetics techniques, and time-resolved measurements of electrical membrane potential. The mutation resulted in a blue-shift of the heme a alpha-band by 15 nm and partial occupation of the low-spin heme site by heme O. Additionally, there was a marked decrease in the midpoint potential of the low-spin heme, resulting in slow reduction of this heme species. A stopped-flow investigation of the reaction with ferrocytochrome c yielded a kinetic difference spectrum resembling that of heme a(3). This observation, and the absence of transient absorbance changes at the corresponding wavelength of the low-spin heme, suggests that, in the mutant enzyme, electron transfer from Cu(A) to the binuclear center may not occur via heme a but that instead direct electron transfer to the high-spin heme is the dominating process. This was supported by charge translocation measurements where Deltapsi generation was completely inhibited in the presence of KCN. Our results thus provide an example for how the interplay between protein and cofactors can modulate the functional properties of the enzyme complex.
We analyzed a eukaryotically encoded rubredoxin from the cryptomonad Guillardia theta and identified additional domains at the N- and C-termini in comparison to known prokaryotic paralogous molecules. The cryptophytic N-terminal extension was shown to be a transit peptide for intracellular targeting of the protein to the plastid, whereas a C-terminal domain represents a membrane anchor. Rubredoxin was identified in all tested phototrophic eukaryotes. Presumably facilitated by its C-terminal extension, nucleomorph-encoded rubredoxin (nmRub) is associated with the thylakoid membrane. Association with photosystem II (PSII) was demonstrated by co-localization of nmRub and PSII membrane particles and PSII core complexes and confirmed by comparative electron paramagnetic resonance measurements. The midpoint potential of nmRub was determined as +125 mV, which is the highest redox potential of all known rubredoxins. Therefore, nmRub provides a striking example of the ability of the protein environment to tune the redox potentials of metal sites, allowing for evolutionary adaption in specific electron transport systems, as for example that coupled to the PSII pathway.
We consider J/ψ production in heavy ion collisions at RHIC energies in the statistical coalescence model with exact (canonical ensemble) charm conservation. Charm quark–antiquark pairs are assumed to be created in primary hard parton collisions, but open and hidden charm particles are formed at the hadronization stage according to the laws of statistical mechanics. The dependence of the J/ψ production on both the number of nucleon participants and the collision energy is studied. The model predicts J/ψ suppression for low energies, whereas at the highest RHIC energy the model reveals J/ψ enhancement.
For statistical multifragmentation model the critical indices α′,β,γ′,δ are calculated as functions of the Fisher parameter τ. It is found that these indices have different values than in Fisher's droplet model. Some peculiarities of the scaling relations are discussed. The basic model predicts for the index τ a narrow range of values, 1.799<τ<1.846, which is consistent with two experiments on nuclear multifragmentation.
In high energy p(p)+p interactions the mean multiplicity and transverse mass spectra of neutral mesons from η to ϒ (m≅0.5–10 GeV/c2) and the transverse mass spectra of pions (mT> 1 GeV/c2) reveal a remarkable behaviour: they follow, over more than 10 orders of magnitude, the power-law function: Cm(T)−P. The parameters C and P are energy dependent, but similar for all mesons produced at the same collision energy. This scaling resembles that expected in the statistical description of hadron production: the parameter P plays the role of a temperature and the normalisation constant C is analogous to the system volume. The fundamental difference is, however, in the form of the distribution function. In order to reproduce the experimental results and preserve the basic structure of the statistical approach the Boltzmann factor e−E∗/T appearing in standard statistical mechanics has to be substituted by a power-law factor (E∗/Λ)−P.
The measured particle ratios in central heavy-ion collisions at RHIC-BNL are investigated within a chemical and thermal equilibrium chiral SU(3) σ–ω approach. The commonly adopted noninteracting gas calculations yield temperatures close to or above the critical temperature for the chiral phase transition, but without taking into account any interactions. Contrary, the chiral SU(3) model predicts temperature and density dependent effective hadron masses and effective chemical potentials in the medium and a transition to a chirally restored phase at high temperatures or chemical potentials. Three different parametrizations of the model, which show different types of phase transition behaviour, are investigated. We show that if a chiral phase transition occured in those collisions, “freezing” of the relative hadron abundances in the symmetric phase is excluded by the data. Therefore, either very rapid chemical equilibration must occur in the broken phase, or the measured hadron ratios are the outcome of the dynamical symmetry breaking. Furthermore, the extracted chemical freeze-out parameters differ considerably from those obtained in simple noninteracting gas calculations. In particular, the three models yield up to 35 MeV lower temperatures than the free gas approximation. The in-medium masses turn out to differ up to 150 MeV from their vacuum values.
Production of J/ψ mesons in heavy ion collisions is considered within the statistical coalescence model. The model is in agreement with the experimental data of the NA50 Collaboration for Pb+Pb collisions at 158 AGeV in a wide centrality range, including the so-called “anomalous” suppression domain. The model description of the J/ψ data requires, however, strong enhancement of the open charm production in central Pb+Pb collisions. This model prediction may be checked in the future SPS runs.
Possible hadronization of supercooled QGP, created in heavy ion collisions at RHIC and SPS, is discussed within a Bjorken hydrodynamic model. Such a hadronization is expected to be a very fast shock-like process, what, if hadronization coincides or shortly followed by freeze out, could explain a part of the HBT puzzle, i.e., the flash-like particle emission (Rout/Rside≈1). HBT data also show that the expansion time before freeze out is very short (∼6–10 fm/c). In this Letter we discuss the question of supercooled QGP and the timescale of the reaction.
String theory suggests the existence of a minimum length scale. An exciting quantum mechanical implication of this feature is a modification of the uncertainty principle. In contrast to the conventional approach, this generalised uncertainty principle does not allow to resolve space–time distances below the Planck length. In models with extra dimensions, which are also motivated by string theory, the Planck scale can be lowered to values accessible by ultra high energetic cosmic rays (UHECRs) and by future colliders, i.e., Mf≈ 1 TeV. It is demonstrated that in this novel scenario, short distance physics below 1/Mf is completely cloaked by the uncertainty principle. Therefore, Planckian effects could be the final physics discovery at future colliders and in UHECRs. As an application, we predict the modifications to the e+e−→f+f− cross-sections.
Recent calculations applying statistical mechanics indicate that in a setting with compactified large extra dimensions a black hole might evolve into a (quasi-)stable state with mass close to the new fundamental scale Mf. Black holes and therefore their relics might be produced at the LHC in the case of extra-dimensional topologies. In this energy regime, Hawking's evaporation scenario is modified due to energy conservation and quantum effects. We reanalyse the evaporation of small black holes including the quantisation of the emitted radiation due to the finite surface of the black hole. It is found that observable stable black hole relics with masses ∼1–3Mf would form which could be identified by a delayed single jet with a corresponding hard momentum kick to the relic and by ionisation, e.g., in a TPC.
We study properties of compact stars with the deconfinement phase transition in their interiors. The equation of state of cold baryon-rich matter is constructed by combining a relativistic mean-field model for the hadronic phase and the MIT Bag model for the deconfined phase. In a narrow parameter range two sequences of compact stars (twin stars), which differ by the size of the quark core, have been found. We demonstrate the possibility of a rapid transition between the twin stars with the energy release of about 1052 ergs. This transition should be accompanied by the prompt neutrino burst and the delayed gamma-ray burst.
We calculate the antibaryon-to-baryon ratios, p̄/p,Λ̄/Λ,Ξ/Ξ, and Ω/Ω for Au+Au collisions at RHIC (sNN=200 GeV). The effects of strong color fields associated with an enhanced strangeness and diquark production probability and with an effective decrease of formation times are investigated. Antibaryon-to-baryon ratios increase with the color field strength. The ratios also increase with the strangeness content |S|. The netbaryon number at midrapidity considerably increases with the color field strength while the netproton number remains roughly the same. This shows that the enhanced baryon transport involves a conversion into the hyperon sector (hyperonization) which can be observed in the (Λ−Λ̄)/(p−p̄) ratio.
We study the production of transversely polarized Λ hyperons in high-energy collisions of protons with large nuclei. The large gluon density of the target at saturation provides an intrinsic semi-hard scale which should naturally allow for a weak-coupling QCD description of the process in terms of a convolution of the quark distribution of the proton with the elementary quark–nucleus scattering cross section (resummed to all twists) and a fragmentation function. In this case of transversely polarized Λ production we employ a so-called polarizing fragmentation function, which is an odd function of the transverse momentum of the Λ relative to the fragmenting quark. Due to this kt-odd nature, the resulting Λ polarization is essentially proportional to the derivative of the quark–nucleus cross section with respect to transverse momentum, which peaks near the saturation momentum scale. Such processes might therefore provide generic signatures for high parton density effects and for the approach to the “black-body” (unitarity) limit of hadronic scattering.
We use a simple hard-core gas model to study the dynamics of small exploding systems. The system is initially prepared in a thermalized state in a spherical container and then allowed to expand freely into the vacuum. We follow the expansion dynamics by recording the coordinates and velocities of all particles until their last collision points (freeze-out). We have found that the entropy per particle calculated for the ensemble of freeze-out points is very close to the initial value. This is in apparent contradiction with the Joule experiment in which the entropy grows when the gas expands irreversibly into a larger volume.
Transverse activity of kaons and deconfinement phase transition in nucleus–nucleus collisions
(2003)
We found that the experimental results on transverse mass spectrum of kaons produced in central Pb+Pb (Au+Au) collisions show an anomalous dependence on the colliding energy. The inverse slope of the spectrum increases with the energy in the low (AGS) and high (RHIC) energy domains, whereas it remains constant in the intermediate (SPS) energy range. We argue that this anomaly is probably caused by the modification of the equation of state in the transition region between confined and deconfined matter. This observation may be considered as a new signal, in addition to the previously reported anomalies in the pion and strangeness production, of the onset of deconfinement located in the low SPS energy domain.
The proton-pumping NADH:ubiquinone oxidoreductase (complex I) couples the transfer of electrons from NADH to ubiquinone with the translocation of protons across the membrane. Electron transfer is accomplished by FMN and a series of iron-sulfur clusters. Its coupling with proton translocation is not yet understood. Here, we report that the redox reaction of the FeS cluster N2 located on subunit NuoB of the Escherichia coli complex I induces a protonation/deprotonation of tyrosine side chains. Electrochemically induced FT-IR difference spectra revealed characteristic tyrosine signals at 1,515 and 1,498 cm−1 for the protonated and deprotonated form, respectively. Mutants of three conserved tyrosines on NuoB were generated by complementing a chromosomal in-frame deletion strain with nuoB on a plasmid. Though the single mutations did not alter the electron transport activity of complex I, the EPR signal of cluster N2 was slightly shifted. The tyrosine signals detected by FT-IR spectroscopy were roughly halved in the mutants Y114C and Y139C while only minor changes were detected in the Y154H mutant. The enzymatic activity of the Y114C/Y139F double mutant was 80% reduced, and FT-IR difference spectra of the double mutant revealed a complete loss the modes characteristic for protonation reactions of tyrosines. Therefore, we propose that tyrosines 114 and 139 on NuoB were protonated upon reduction of cluster N2 and were thus involved in the proton-transfer reaction coupled with its redox reaction.
Modifications of the gyromagnetic moment of electrons and muons due to a minimal length scale combined with a modified fundamental scale Mf are explored. First-order deviations from the theoretical SM value for g−2 due to these string theory-motivated effects are derived. Constraints for the fundamental scale Mf are given.
The production of strange pentaquark states (e.g., Theta baryons and Ξ−− states) in hadronic interactions within a Gribov–Regge approach is explored. In this approach the Θ+(1540) and the Ξ are produced by disintegration of remnants formed by the exchange of pomerons between the two protons. We predict the rapidity and transverse momentum distributions as well as the 4π multiplicity of the Θ+, Ξ−−, Ξ−, Ξ0 and Ξ+ for s=17 GeV (SPS) and 200 GeV (RHIC). For both energies more than 10−3 Θ+ and more than 10−5 Ξ per pp event should be observed by the present experiments.
P-O bond destabilization accelerates phosphoenzyme hydrolysis of sarcoplasmic reticulum Ca2+-ATPase
(2004)
The phosphate group of the ADP-insensitive phosphoenzyme (E2-P) of sarcoplasmic reticulum Ca2+-ATPase (SERCA1a) was studied with infrared spectroscopy to understand the high hydrolysis rate of E2-P. By monitoring an autocatalyzed isotope exchange reaction, three stretching vibrations of the transiently bound phosphate group were selectively observed against a background of 50,000 protein vibrations. They were found at 1194, 1137, and 1115 cm–1. This information was evaluated using the bond valence model and empirical correlations. Compared with the model compound acetyl phosphate, structure and charge distribution of the E2-P aspartyl phosphate resemble somewhat the transition state in a dissociative phosphate transfer reaction; the aspartyl phosphate of E2-P has 0.02 Å shorter terminal P–O bonds and a 0.09 Å longer bridging P–O bond that is ∼20% weaker, the angle between the terminal P–O bonds is wider, and –0.2 formal charges are shifted from the phosphate group to the aspartyl moiety. The weaker bridging P–O bond of E2-P accounts for a 1011–1015-fold hydrolysis rate enhancement, implying that P–O bond destabilization facilitates phosphoenzyme hydrolysis. P–O bond destabilization is caused by a shift of noncovalent interactions from the phosphate oxygens to the aspartyl oxygens. We suggest that the relative positioning of Mg2+ and Lys684 between phosphate and aspartyl oxygens controls the hydrolysis rate of the ATPase phosphoenzymes and related phosphoproteins.
Phosphorylation of the sarcoplasmic reticulum Ca(2+)-ATPase (SERCA1a) was studied with time-resolved Fourier transform infrared spectroscopy. ATP and ATP analogs (ITP, 2'- and 3'-dATP) were used to study the effect of the adenine ring and the ribose hydroxyl groups on ATPase phosphorylation. All modifications of ATP altered conformational changes and phosphorylation kinetics. The differences compared with ATP increased in the following order: 3'-dATP > ITP > 2'-dATP. Enzyme phosphorylation with ITP results in larger absorbance changes in the amide I region, indicating larger conformational changes of the Ca(2+)-ATPase. The respective absorbance changes obtained with 3'-dATP are significantly different from the others with different band positions and amplitudes in the amide I region, indicating different conformational changes of the protein backbone. ATPase phosphorylation with 3'-dATP is also much ( approximately 30 times) slower than with ATP. Our results indicate that modifications to functional groups of ATP (the ribose 2'- and 3'-OH and the amino group in the adenine ring) affect gamma-phosphate transfer to the phosphorylation site of the Ca(2+)-ATPase by changing the extent of conformational change and the phosphorylation rate. ADP binding to the ADP-sensitive phosphoenzyme (Ca(2)E1P) stabilizes the closed conformation of Ca(2)E1P.
We point out that during the supernova II type explosion the thermodynamical conditions of stellar matter between the protoneutron star and the shock front correspond to the nuclear liquid–gas coexistence region, which can be investigated in nuclear multifragmentation reactions. We have demonstrated, that neutron-rich hot heavy nuclei can be produced in this region. The production of these nuclei may influence dynamics of the explosion and contribute to the synthesis of heavy elements.
We propose a method to experimentally study the equation of state of strongly interacting matter created at the early stage of nucleus–nucleus collisions. The method exploits the relation between relative entropy and energy fluctuations and equation of state. As a measurable quantity, the ratio of properly filtered multiplicity to energy fluctuations is proposed. Within a statistical approach to the early stage of nucleus–nucleus collisions, the fluctuation ratio manifests a non-monotonic collision energy dependence with a maximum in the domain where the onset of deconfinement occurs.
We suggest that the fluctuations of strange hadron multiplicity could be sensitive to the equation of state and microscopic structure of strongly interacting matter created at the early stage of high energy nucleus–nucleus collisions. They may serve as an important tool in the study of the deconfinement phase transition. We predict, within the statistical model of the early stage, that the ratio of properly filtered fluctuations of strange to non-strange hadron multiplicities should have a non-monotonic energy dependence with a minimum in the mixed phase region.
We perform a study of the possible existence of hybrid stars with color superconducting quark cores using a specific hadronic model in a combination with an NJL-type quark model. It is shown that the constituent mass of the non-strange quarks in vacuum is a very important parameter that controls the beginning of the hadron–quark phase transition. At relatively small values of the mass, the first quark phase that appears is the two-flavor color superconducting (2SC) phase which, at larger densities, is replaced by the color-flavor locked (CFL) phase. At large values of the mass, on the other hand, the phase transition goes from the hadronic phase directly into the CFL phase avoiding the 2SC phase. It appears, however, that the only stable hybrid stars obtained are those with the 2SC quark cores.
We study issues of duality in 3D field theory models over a canonical noncommutative spacetime and obtain the noncommutative extension of the self-dual model induced by the Seiberg–Witten map. We apply the dual projection technique to uncover some properties of the noncommutative Maxwell–Chern–Simons theory up to first-order in the noncommutative parameter. A duality between this theory and a model similar to the ordinary self-dual model is established. The correspondence of the basic fields is obtained and the equivalence of algebras and equations of motion are directly verified. We also comment on previous results in this subject.
The kaon nuclear optical potential is studied including the effect of the Θ+ pentaquark. The one-nucleon contribution is obtained using an extension of the Jülich meson-exchange potential as bare kaon–nucleon interaction. Significant differences between a fully self-consistent calculation and the usually employed low-density Tρ approach are observed. The influence of the one-nucleon absorption process, KN→Θ+, on the kaon optical potential is negligible due to the small width of the pentaquark. In contrast, the two-nucleon mechanism, KNN→Θ+N, estimated from the coupling of the pentaquark to a two-meson cloud, provides the required amount of additional kaon absorption to reconcile with data the systematically low K+-nucleus reaction cross sections found by the theoretical models.
We solve the coupled Wong Yang–Mills equations for both U(1) and SU(2) gauge groups and anisotropic particle momentum distributions numerically on a lattice. For weak fields with initial energy density much smaller than that of the particles we confirm the existence of plasma instabilities and of exponential growth of the fields which has been discussed previously. Also, the SU(2) case is qualitatively similar to U(1), and we do find significant “abelianization” of the non-Abelian fields during the period of exponential growth. However, the effect nearly disappears when the fields are strong. This is because of the very rapid isotropization of the particle momenta by deflection in a strong field on time scales comparable to that for the development of Yang–Mills instabilities. This mechanism for isotropization may lead to smaller entropy increase than collisions and multiplication of hard gluons, which is interesting for the phenomenology of high-energy heavy-ion collisions.
Large extra dimensions could lower the Planck scale to experimentally accessible values. Not only is the Planck scale the energy scale at which effects of modified gravity become important. The Planck length also acts as a minimal length in nature, providing a natural ultraviolet cutoff and a limit to the possible resolution of spacetime.
In this Letter we examine the influence of the minimal length on the Casimir energy between two plates.
Within the ADD-model, we elaborate an idea by Vacavant and Hinchliffe [J. Phys. G 27 (2001) 1839] and show quantitatively how to determine the fundamental scale of TeV-gravity and the number of compactified extra dimensions from data at LHC. We demonstrate that the ADD-model leads to strong correlations between the missing ET in gravitons at different center of mass energies. This correlation puts strong constraints on this model for extra dimensions, if probed at s=5.5 TeV and s=14 TeV at LHC.
The D-meson spectral density at finite temperature is obtained within a self-consistent coupled-channel approach. For the bare meson–baryon interaction, a separable potential is taken, whose parameters are fixed by the position and width of the Λc(2593) resonance. The quasiparticle peak stays close to the free D-meson mass, indicating a small change in the effective mass for finite density and temperature. Furthermore, the spectral density develops a considerable width due to the coupled-channel structure. Our results indicate that the medium modifications for the D-mesons in nucleus-nucleus collisions at FAIR (GSI) will be dominantly on the width and not, as previously expected, on the mass.
We propose to use the hadron number fluctuations in the limited momentum regions to study the evolution of initial flows in high energy nuclear collisions. In this method by a proper preparation of a collision sample the projectile and target initial flows are marked in fluctuations in the number of colliding nucleons. We discuss three limiting cases of the evolution of flows, transparency, mixing and reflection, and present for them quantitative predictions obtained within several models. Finally, we apply the method to the NA49 results on fluctuations of the negatively charged hadron multiplicity in Pb+Pb interactions at 158A GeV and conclude that the data favor a hydrodynamical model with a significant degree of mixing of the initial flows at the early stage of collisions.
We study the gluonic phase in a two-flavor color superconductor as a function of the ratio of the gap over the chemical potential mismatch, Δ/δμ. We find that the gluonic phase resolves the chromomagnetic instability encountered in a two-flavor color superconductor for Δ/δμ<2. We also calculate approximately the free energies of the gluonic phase and the single plane-wave LOFF phase and show that the former is favored over the latter for a wide range of coupling strengths.
The outer segment of vertebrate photoreceptors is a specialized compartment that hosts all the signaling components required for visual transduction. Specific to rod photoreceptors is an unusual set of three glutamic acid-rich proteins (GARPs) as follows: two soluble forms, GARP1 and GARP2, and the N-terminal cytoplasmic domain (GARP′ part) of the B1 subunit of the cyclic GMP-gated channel. GARPs have been shown to interact with proteins at the rim of the disc membrane. Here we characterized native GARP1 and GARP2 purified from bovine rod photoreceptors. Amino acid sequence analysis of GARPs revealed structural features typical of “natively unfolded” proteins. By using biophysical techniques, including size-exclusion chromatography, dynamic light scattering, NMR spectroscopy, and circular dichroism, we showed that GARPs indeed exhibit a large degree of intrinsic disorder. Analytical ultracentrifugation and chemical cross-linking showed that GARPs exist in a monomer/multimer equilibrium. The results suggested that the function of GARP proteins is linked to their structural disorder. They may provide flexible spacers or linkers tethering the cyclic GMP-gated channel in the plasma membrane to peripherin at the disc rim to produce a stack of rings of these protein complexes along the long axis of the outer segment. GARP proteins could then provide the environment needed for protein interactions in the rim region of discs.
The nuclear stopping, the elliptic flow, and the HBT interferometry are calculated by the UrQMD transport model, in which potentials for “pre-formed” particles (string fragments) from color fluxtube fragmentation as well as for confined particles are considered. This description provides stronger pressure at the early stage and describes these observables better than the default cascade mode (where the “pre-formed” particles from string fragmentation are treated to be free-streaming). It should be stressed that the inclusion of potential interactions pushes down the calculated HBT radius RO and pulls up the RS so that the HBT time-related puzzle disappears throughout the energies from AGS, SPS, to RHIC.
Within a dynamical quark recombination model, we explore various proposed event-by-event observables sensitive to the microscopic structure of the QCD-matter created at RHIC energies. Charge ratio fluctuations, charge transfer fluctuations and baryon-strangeness correlations are computed from a sample of central Au + Au events at the highest RHIC energy available (sNN=200 GeV). We find that for all explored observables, the calculations yield the values predicted for a quark–gluon plasma only at early times of the evolution, whereas the final state approaches the values expected for a hadronic gas. We argue that the recombination-like hadronization process itself is responsible for the disappearance of the predicted deconfinement signals. This might explain why no fluctuation signatures for the transition between quark and hadronic matter was ever observed in the experimental data up to now.
We present predictions for the pseudorapidity dependence of the azimuthal anisotropy parameters v1 and v2 of baryons and inclusive charged hadrons in Pb + Pb collisions at a LHC energy of sNN=5.5 TeV applying a microscopic transport model, namely the quark–gluon string model (QGSM) which has been recently extended for parton rearrangement and fusion processes. Pb + Pb collisions with impact parameters b=2.3 fm and b=8 fm have been simulated in order to investigate additionally the difference between central and semiperipheral configurations. In contrast to v1ch(η) at RHIC, the directed flow of charged hadrons shows a small normal flow alignment. The elliptic flow v2ch(η) turns out to be rather similar in shape for RHIC and LHC conditions, the magnitude however increases about 10–20% at the LHC, leading to the conclusion that the hydrodynamical limit will be reached.
We explore the formation of diquark bound states and their Bose–Einstein condensation (BEC) in the phase diagram of three-flavor quark matter at nonzero temperature, T, and quark chemical potential, μ. Using a quark model with a four-fermion interaction, we identify diquark excitations as poles of the microscopically computed diquark propagator. The quark masses are obtained by solving a dynamical equation for the chiral condensate and are found to determine the stability of the diquark excitations. The stability of diquark excitations is investigated in the T–μ plane for different values of the diquark coupling strength. We find that diquark bound states appear at small quark chemical potentials and at intermediate coupling strengths. Bose–Einstein condensation of non-strange diquark states occurs when the attractive interaction between quarks is sufficiently strong.
Dilepton production in pp and Au+Au nucleus–nucleus collisions at s=200GeV as well as in In+In and Pb+Au at 158AGeV is studied within the microscopic HSD transport approach. A comparison to the data from the PHENIX Collaboration at RHIC shows that standard in-medium effects of the ρ,ω vector mesons—compatible with the NA60 data for In+In at 158AGeV and the CERES data for Pb+Au at 158AGeV—do not explain the large enhancement observed in the invariant mass regime from 0.2 to 0.5 GeV in Au+Au collisions at s=200 GeV relative to pp collisions.
Based on the microscopic transport model UrQMD in which hadronic and string degrees of freedom are employed, the HBT parameters in the longitudinal co-moving system are investigated for charged pion and kaon, and Λ sources in heavy ion collisions (HICs) at SPS and RHIC energies. In the Cascade mode, RO and the RL at high SPS and RHIC energies do not follow the mT-scaling, however, after considering a soft equation of state with momentum dependence (SM-EoS) for formed baryons and a density-dependent Skyrme-like potential for “pre-formed” particles, the HBT radii of pions and kaons and even those of Λs with large transverse momenta follow the mT-scaling function R=3/mT fairly well.
We propose that the measurement of the transverse momentum dependence of the double ratio of the nuclear modification factors of charm and bottom jets, RAAc(pT)/RAAb(pT), in central nuclear collisions at the LHC will provide an especially robust observable that can be used to differentiate Standard Model perturbative QCD predictions from recently proposed strong coupling string drag models derived using the AdS/CFT conjecture.
We determine the hard-loop resummed propagator in an anisotropic QCD plasma in general covariant gauges and define a potential between heavy quarks from the Fourier transform of its static limit. We find that there is stronger attraction on distance scales on the order of the inverse Debye mass for quark pairs aligned along the direction of anisotropy than for transverse alignment.
It has been suggested that the existence of a non-Gaussian fixed point in general relativity might cure the ultraviolet problems of this theory. Such a fixed point is connected to an effective running of the gravitational coupling. We calculate the effect of the running gravitational coupling on the black hole production cross section in models with large extra dimensions.
The extrapolation of results obtained on a series of 3 succeeding grids with halved mesh size is tested as a variant of the multigrid approach for solving the Laplace and Poisson equations in 2D. Based on corresponding experience with BEM for electric and magnetic [2] field problems a pure power law is applied instead of the famous Richardson extrapolation [3]. On those grid points, which are common to all 3 grids, the potential values are extrapolated to an arbitrary fine discretization. On the points of the finest grid in between those of the coarser ones the potentials then are obtained by only few iterations to perform the interpolation. Both, the common 5-point discretization and the famous 9-point discretization by E. Kasper [5] are investigated and compared with respect to the possible win of accuracy by extrapolation. As an interesting result of this kind of extrapolation, the accumulated local discretization errors of the 5-point discretization are partially cured and the high accuracy by the 9-point formula of Kasper makes extrapolation inefficient. Like for classical MG (multi grid) [6] the acceleration of potential calculations on grids of large size is substantial.
The upcoming high energy experiments at the LHC are one of the most outstanding efforts for a better understanding of nature. It is associated with great hopes in the physics community. But there is also some fear in the public, that the conjectured production of mini black holes might lead to a dangerous chain reaction. In this Letter we summarize the most straightforward arguments that are necessary to rule out such doomsday scenarios.
We apply a coupled transport-hydrodynamics model to discuss the production of multi-strange meta-stable objects in Pb + Pb reactions at the FAIR facility. In addition to making predictions for yields of these particles we are able to calculate particle dependent rapidity and momentum distributions. We argue that the FAIR energy regime is the optimal place to search for multi-strange baryonic object (due to the high baryon density, favoring a distillation of strangeness). Additionally, we show results for strangeness and baryon density fluctuations. Using the UrQMD model we calculate the strangeness separation in phase space which might lead to an enhanced production of MEMOs compared to models that assume global thermalization.
We developed a Monte Carlo event generator for production of nucleon configurations in complex nuclei consistently including effects of nucleon–nucleon (NN) correlations. Our approach is based on the Metropolis search for configurations satisfying essential constraints imposed by short- and long-range NN correlations, guided by the findings of realistic calculations of one- and two-body densities for medium-heavy nuclei. The produced event generator can be used for Monte Carlo (MC) studies of pA and AA collisions. We perform several tests of consistency of the code and comparison with previous models, in the case of high energy proton–nucleus scattering on an event-by-event basis, using nucleus configurations produced by our code and Glauber multiple scattering theory both for the uncorrelated and the correlated configurations; fluctuations of the average number of collisions are shown to be affected considerably by the introduction of NN correlations in the target nucleus. We also use the generator to estimate maximal possible gluon nuclear shadowing in a simple geometric model.
ϕ-meson production in In–In collisions at Elab=158A GeV: Evidence for relics of a thermal phase
(2010)
Yields and transverse mass distributions of the ϕ-mesons reconstructed in the ϕ→μ+μ− channel in In+In collisions at Elab=158A GeV are calculated within an integrated Boltzmann+hydrodynamics hybrid approach based on the Ultrarelativistic Quantum Molecular Dynamics (UrQMD) transport model with an intermediate hydrodynamic stage. The analysis is performed for various centralities and a comparison with the corresponding NA60 data in the muon channel is presented. We find that the hybrid model, that embeds an intermediate locally equilibrated phase subsequently mapped into the transport dynamics according to thermal phase-space distributions, gives a good description of the experimental data, both in yield and slope. On the contrary, the pure transport model calculations tend to fail in catching the general properties of the ϕ meson production: not only the yield, but also the slope of the mT spectra, compare poorly with the experimental observations at top SPS energies.
We demonstrate that a Quark–Gluon Plasma (QGP) with a dilute admixture of heavy quarks has, in general, a lower speed of sound than a “pure” QGP without effects from heavy flavors. The change in the speed of sound is sensitive to the details of the theory, making the hydrodynamic response to “flavoring” a sensitive probe of the underlying microscopic dynamics. We suggest that this effect may be measured in ultrarelativistic heavy ion collisions by relating the event-by-event number of charm quarks to flow observables such as the average transverse momentum.
In this Letter we study the radiation measured by an accelerated detector, coupled to a scalar field, in the presence of a fundamental minimal length. The latter is implemented by means of a modified momentum space Green's function. After calibrating the detector, we find that the net flux of field quanta is negligible, and that there is no Planckian spectrum. We discuss possible interpretations of this result, and we comment on experimental implications in heavy ion collisions and atomic systems.
In this Letter, we propose a new scenario emerging from the conjectured presence of a minimal length ℓ in the spacetime fabric, on the one side, and the existence of a new scale invariant, continuous mass spectrum, of un-particles on the other side. We introduce the concept of un-spectral dimension DU of a d-dimensional, euclidean (quantum) spacetime, as the spectral dimension measured by an “un-particle” probe. We find a general expression for the un-spectral dimension DU labelling different spacetime phases: a semi-classical phase, where ordinary spectral dimension gets contribution from the scaling dimension dU of the un-particle probe; a critical “Planckian phase”, where four-dimensional spacetime can be effectively considered two-dimensional when dU=1; a “Trans-Planckian phase”, which is accessible to un-particle probes only, where spacetime as we currently understand it looses its physical meaning.
Fuzziness at the horizon
(2010)
We study the stability of the noncommutative Schwarzschild black hole interior by analysing the propagation of a massless scalar field between the two horizons. We show that the spacetime fuzziness triggered by the field higher momenta can cure the classical exponential blue-shift divergence, suppressing the emergence of infinite energy density in a region nearby the Cauchy horizon.
In this Letter we derive the gravity field equations by varying the action for an ultraviolet complete quantum gravity. Then we consider the case of a static source term and we determine an exact black hole solution. As a result we find a regular spacetime geometry: in place of the conventional curvature singularity extreme energy fluctuations of the gravitational field at small length scales provide an effective cosmological constant in a region locally described in terms of a de Sitter space. We show that the new metric coincides with the noncommutative geometry inspired Schwarzschild black hole. Indeed, we show that the ultraviolet complete quantum gravity, generated by ordinary matter is the dual theory of ordinary Einstein gravity coupled to a noncommutative smeared matter. In other words we obtain further insights about that quantum gravity mechanism which improves Einstein gravity in the vicinity of curvature singularities. This corroborates all the existing literature in the physics and phenomenology of noncommutative black holes.
We compute the phase and the modulus of an energy- and pressure-free, composite, adjoint, and
inert field φ in an SU(2) Yang-Mills theory at large temperatures. This field is physically relevant in describing part of the ground-state structure and the quasiparticle masses of excitations. The field φ possesses nontrivial S1-winding on the group manifold S3. Even at asymptotically high temperatures, where the theory reaches its Stefan-Boltzmann limit, the field φ, though strongly power suppressed, is conceptually relevant: its presence resolves the infrared problem of thermal perturbation theory.
Das Antiprotonen-Experiment PANDA an der zukünftigen Beschleunigeranlage FAIR wird unter anderem Charmonium-Zustände mit einer bis dato unerreichten Genauigkeit messen können. Um dieses Ziel zu erreichen, wird eine sehr gute Teilchenidentifikationsfähigkeit verlangt. Eine gute Trennung zwischen Pionen und Kaonen wird durch den Einsatz eines Cherenkovdetektors erreicht. Die Leistungsfähigkeit eines DIRC hängt von dessen Radiatorgüte ab. Um die Qualität der Radiatorstäbe spezifizieren zu können, wurde im Rahmen dieser Doktorarbeit eine optische Messapparatur entwickelt. Dieser Aufbau erlaubt es die Transmission sowie die Oberflächenrauheit der Stäbe zu messen. Es wurden mehrere Radiatorstäbe aus synthetischem Quarzglas und Acrylglas untersucht. Die Messgenauigkeit bei hochqualitativen Stäben liegt für die Transmissionsmessung bei etwa 1 Promille und für die Rauheit bei 1-2 Angström. Die Messergebnisse bei verschiedenen Wellenlängen zeigen eine gute Übereinstimmung mit der skalaren Streutheorie, die den Zusammenhang zwischen Reflexionskoeffizienten und Rauheit beschreibt. Bei einer Strahlzeit an der GSI mit einem 2 GeV Protonenstrahl wurde ein erster Prototyp für den Barrel-DIRC mit einem Stab aus synthetischem Quarzglas als Radiator getestet. Durch Variation des Einfallswinkels und der Position des Protonenstrahls auf dem Radiator konnten Cherenkovringe eindeutig nachgewiesen werden. Zudem wurde der Cherenkovwinkel und die Einzelphotonauflösung in guter Übereinstimmung mit dem Erwartetem und der Simulation bestimmt.
In der LEBT-Sektion der Frankfurter Neutronenquelle am Stern-Gerlach-Zentrum (FRANZ) befinden sich zur transversalen Fokussierung des Ionenstrahls vier Solenoide. Die ersten beiden dienen dem Einschuss in das ExB-Choppersystem, die letzten beiden dem Einschuss in die erste Beschleunigerstruktur, den Radiofrequenzquadrupol (RFQ). In numerischen Transportsimulationen konnte gezeigt werden, dass insbesondere der erste Solenoid einen hohen Füllgrad aufweisen wird, was zu Strahlaberrationen und damit zu einer unerwünschten Erhöhung der Strahlemittanz führen kann.
Um diesen Effekt zu untersuchen, wurden die Fokussier- und Abbildungseigenschaften des ersten FRANZ-Solenoides analysiert. Analytische Rechnung unter Verwendung der Twissparametertransformation wurden durchgeführt, numerische Simulationen mit einem idealisiertem und einem realistischem Magnetfeldverlauf gemacht und 2 Messaufbauten mit einer Volumenquelle, dem Solenoid und einer Schlitz-Gitter-Emittanzmessanlage realisiert, um gemessene mit analytischen und numerischen Daten vergleichen zu können. Die Parameter, die ausgewertet und verglichen wurden, sind die Lage der Emittanzellipse, die Emittanz im x-x'-Phasenraum und die normierten vierten Momente (Wölbung) im Ortsraum.
The study of meson production in proton-proton collisions in the energy range
up to one GeV above the production threshold provides valuable information about
the nature of the nucleon-nucleon interaction. Theoretical models describe the interaction
between nucleons via the exchange of mesons. In such models, different
mechanisms contribute to the production of the mesons in nucleon-nucleon collisions.
The measurement of total and differential production cross sections provide information
which can help in determining the magnitude of the various mechanisms.
Moreover, such cross section information serves as an input to the transport calculations
which describe e.g. the production of e+e− pairs in proton- and pion-induced
reactions as well as in heavy ion collisions.
In this thesis, the production of ω and η mesons in proton-proton collisions at 3.5
GeV beam energy was studied using the High Acceptance DiElectron Spectrometer
(HADES) installed at the Schwerionensynchrotron (SIS 18) at the Helmholtzzenturm
f¨ur Schwerionenforschung in Darmstadt.
About 80 000 ω mesons and 35 000 η mesons were reconstructed. Total production
cross sections of both mesons were determined. Furthermore, the collected statistics
allowed for extracting angular distributions of both mesons as well as performing
Dalitz plot studies.
The ω and η mesons were reconstructed via their decay into three pions (π+π−π0)
in the exclusive reaction pp −→ ppπ+π−π0. The charged particles were identified
via their characteristic energy loss, via the measurement of their time of flight and
momentum, or using kinematics.
The neutral pion was reconstructed using the missing mass method. A kinematic
fit was applied to improve the resolution and to select events in which a π0 was
produced.
The correction of measured yields for the effects of spectrometer acceptance was done
as a function of four variables (two invariant masses and two angles). Systematic
studies of the acceptance for different input distributions were performed.
The measured yields were normalized to the number of measured events of elastic
scattering. Systematic errors due to the methods of the data analysis and the
background subtraction were investigated.
Production angular distributions of ω and η mesons were measured. Both mesons
exhibit a slightly anisotropic angular distribution.
The Dalitz plot of ω meson production shows indications of resonant production.
However, the deviation of the distribution from the one expected by phase space
simulations is not large.
The Dalitz plot of η meson production shows a signal of the production via the
N(1535) resonance, The contribution of N(1535) to the production was quantified
to be about 47%. The angular distribution of η mesons does not show significant
differences between resonant and non resonant production.
The total production cross section of ω mesons in the reaction pp −→ ppω was
determined to be 106.5 ± 0.9 (stat) ± 7.9 (sys) [μb] where stat indicates statistical
error and sys indicates systematic error, while that of η mesons was determined to
be 136.9 ± 0.9 (stat) ± 10.1 (sys) [μb] in the reaction pp −→ ppη
Nanotechnology is a rapidly developing branch of science, which is focused on the study of phenomena at the nanometer scale, in particular related to the possibilities of matter manipulation. One of the main goals of nanotechnology is the development of controlled, reproducible, and industrially transposable nanostructured materials.
The conventional technique of thin-film growth by deposition of atoms, small atomic clusters and molecules on surfaces is the general method, which is often used in nanotechnology for production of new materials. Recent experiments show, that patterns with different morphology can be formed in the course of nanoparticles deposition process on a surface. In this context, predicting of the final architecture of the growing materials is a fundamental problem worth studying.
Another factor, which plays an important role in industrial applications of new materials, is the question of post-growth stability of deposited structures. The understanding of the post-growth relaxation processes would give a possibility to estimate the lifetime of the deposited material depending on the conditions at which the material was fabricated. Controllable post-growth manipulations with the architecture of deposited structures opens new path for engineering of nanostructured materials.
The task of this thesis is to advance understanding mechanisms of formation and post-growth evolution of nanostructured materials fabricated by atomic clusters deposition on a surface. In order to achieve this goal the following main problems were addressed:
1. The properties of isolated clusters can significantly differ from those of analogous clusters occurring on a solid surface. The difference is caused by the interaction between the cluster and the solid. Therefore, the understanding of structural and dynamical properties of an atomic cluster on a surface is a topic of intense interest from the scientific and technological point of view. In the thesis, stability, energy, and geometry of an atomic cluster on a solid surface were studied using a liquid drop approach which takes into account the cluster-solid interaction. Geometries of the deposited clusters are compared with those of isolated clusters and the differences are discussed.
2. The formation scenarios of patterns on a surface in the course of the process of cluster deposition depend strongly on the dynamics of deposited clusters. Therefore, an important step towards predicting pattern morphology is to study dynamics of a single cluster on a surface. The process of cluster diffusion on a surface was modeled with the use of classical molecular dynamics technique, and the diffusion coefficients for the silver nanoclusters were obtained from the analysis of trajectories of the clusters. The dependence of the diffusion coefficient on the system’s temperature and cluster-surface interaction was established. The results of the calculations are compared with the available experimental results for the diffusion coefficient of silver clusters on graphite surface.
3. The methods of classical molecular dynamics cannot be used for modeling the self-assembly processes of atomic clusters on a surface, because these processes occur on the minutes timescale, what would require an unachievable computer resource for the simulation. Based on the results of molecular dynamics simulations for a single cluster on a surface a Monte-Carlo based approach has been developed to describe the dynamics of the self-assembly of nanoparticles on a surface. This method accounts for the free particle diffusion on a surface, aggregation into islands and detachment from these islands. The developed method is allowed to study pattern formation of structures up to thousands nm, as well as the stability of these structures. Developed method was implemented in MBN Explorer computer package.
4. The process of the pattern formation on a surface was modeled for several different scenarios. Based on the analysis of results of simulations was suggested a criterion, which can be used to distinguish between different patterns formed on a surface, for example: between fractals or compact islands.This criteria can be used to predict the final morphology of a growing structure.
5. The post-growth evolution of patterns on a surface was also analyzed. In particular, attention in the thesis is payed to a systematical theoretical analysis of the post-growth processes occurring in nanofractals on a surface. The time evolution of fractal morphology in the course of the post-growth relaxation was analyzed, the results of these calculations were compared with experimental data available for the post-growth relaxation of silver cluster fractals on graphite substrate.
All the aforementioned problems are discussed in details in the thesis.
The miniaturization of electronics is reaching its limits. Structures necessary to build integrated circuits from semiconductors are shrinking and could reach the size of only a few atoms within the next few years. It will be at the latest at this point in time that the physics of nanostructures gains importance in our every day life. This thesis deals with the physics of quantum impurity models. All models of this class exhibit an identical structure: the simple and small impurity only has few degrees of freedom. It can be built out of a small number of atoms or a single molecule, for example. In the simplest case it can be described by a single spin degree of freedom, in many quantum impurity models, it can be treated exactly. The complexity of the description arises from its coupling to a large number of fermionic or bosonic degrees of freedom (large meaning that we have to deal with particle numbers of the order of 10^{23}). An exact treatment thus remains impossible. At the same time, physical effects which arise in quantum impurity systems often cannot be described within a perturbative theory, since multiple energy scales may play an important role. One example for such an effect is the Kondo effect, where the free magnetic moment of the impurity is screened by a "cloud" of fermionic particles of the quantum bath.
The Kondo effect is only one example for the rich physics stemming from correlation effects in many body systems. Quantum impurity models, and the oftentimes related Kondo effect, have regained the attention of experimental and theoretical physicists since the advent of quantum dots, which are sometimes also referred to as as artificial atoms. Quantum dots offer a unprecedented control and tunability of many system parameters. Hence, they constitute a nice "playground" for fundamental research, while being promising candidates for building blocks of future technological devices as well.
Recently Loss' and DiVincenzo's p roposal of a quantum computing scheme based on spins in quantum dots, increased the efforts of experimentalists to coherently manipulate and read out the spins of quantum dots one by one. In this context two topics are of paramount importance for future quantum information processing: since decoherence times have to be large enough to allow for good error correction schemes, understanding the loss of phase coherence in quantum impurity systems is a prerequisite for quantum computation in these systems. Nonequilibrium phenomena in quantum impurity systems also have to be understood, before one may gain control of manipulating quantum bits.
As a first step towards more complicated nonequilibrium situations, the reaction of a system to a quantum quench, i.e. a sudden change of external fields or other parameters of the system can be investigated. We give an introduction to a powerful numerical method used in this field of research, the numerical renormalization group method, and apply this method and its recent enhancements to various quantum impurity systems.
The main part of this thesis may be structured in the following way:
- Ferromagnetic Kondo Model,
- Spin-Dynamics in the Anisotropic Kondo and the Spin-Boson Model,
- Two Ising-coupled Spins in a Bosonic Bath,
- Decoherence in an Aharanov-Bohm Interferometer.
In dieser Arbeit wurden Verfahren zur Identifikation hirnelektrischer Aktivität mit Zellularen Nichtlinearen Netzwerken (CNN), im Besonderen Reaktions-Diffusions-Netzwerken, entwickelt und untersucht. Mit Hilfe der eingeführten Methoden wurden Langzeitaufzeichnungen hirnelektrischer Aktivität bei Epilepsie analysiert und mittels eines automatisierten Verfahrens ermittelt, inwieweit sich mögliche Voranfallszustände vom anfallsfreien Zustand im statistischen Sinne trennen lassen.
Zunächst wurde ein Überblick über CNN gegeben und deren Beschreibung durch Systeme gekoppelter Differentialgleichungen dargestellt. Weiterhin wurden die Möglichkeiten der Informationsverarbeitung mit CNN durch Ausnutzung von Gleichgewichtszuständen oder der vollständigen raum-zeitlichen Dynamik der Netzwerke diskutiert. Zusätzlich wurde die Klasse der Reaktions-Diffusions-Netzwerke (RD-CNN) eingeführt. Für die Repräsentation der hierbei benötigten weitgehend allgemeinen nichtlinearen Zellkopplungsvorschriften wurden polynomiale Gewichtsfunktionen vorgeschlagen. Mit einer Darstellung der Theorie der Lokalen Aktivität wurden notwendige Bedingungen für emergentes Verhalten in RD-CNN angegeben. Die statistische Bewertung von Vorhersagemodellen wurde aus theoretischer Sicht beleuchtet. Mit der Receiver Operating Characteristic (ROC) wurde eine Analysemethode zur Beurteilung der Vorhersagekraft des zeitlichen Verlaufs von Kenngrößen bezüglich bevorstehender epileptischer Anfälle vorgestellt.
Als nächstes wurden Überlegungen zur numerischen Simulation von CNN und deren flexible und erweiterbare programmtechnische Umsetzung entwickelt. Die daraus resultierende und im Rahmen dieser Arbeit entstandene objektorientierte Simulationsumgebung FORCE++ wurde konzeptionell und im Hinblick auf die Softwarearchitektur vorgestellt.
Die Verfahren zur numerischen Simulation wurden auf die Problemstellung der Systemidentifikation mit CNN angewandt. Dazu wurden Netzwerke derart bestimmt, dass deren Zellausgangswerte entsprechende Signalwerte des beobachteten, zu identifizierenden Systems approximieren.
Da die Parameter der zu bestimmenden CNN im vorliegenden Fall der Untersuchung hirnelektrischer Aktivität nicht bekannt sind und nicht direkt abgeleitet werden können, wurden überwachte Lernverfahren zur Bestimmung der Netzwerke eingesetzt. Hierbei wurden Lernverfahren verschiedener Klassen für die Identifikation mit CNN mit polynomialen Gewichtsfunktionen untersucht. Die Leistungsfähigkeit des vorgestellten Identifikationsverfahrens wurde anhand bekannter Systeme einer genauen Betrachtung unterzogen. Dabei wurde festgestellt, dass die betrachteten Systeme mit hoher Genauigkeit durch CNN repräsentiert werden konnten. Exemplarisch wurde das Parametergebiet lokaler Aktivität für ein RD-CNN berechnet und durch numerische Simulationen die Ausbildung von Mustern innerhalb des Netzwerkes nachgewiesen.
Nach einem einleitenden Überblick über die medizinischen Hintergründe von Epilepsie und der Erfassung hirnelektrischer Aktivität wurde eine vergleichende Übersicht über den Stand veröffentlichter Studien zur Vorhersage epileptischer Anfälle gegeben. Für die Anwendung des hier vorgestellten Identifikationsverfahrens zur Analyse hirnelektrischer Aktivität wurde zunächst die Genauigkeit der Approximation kurzer, als quasi-stationär betrachteter Abschnitte, von EEG-Signalen untersucht. Durch gezielte Erhöhung der Komplexität herangezogener Netzwerke konnte hier die Genauigkeit der Repräsentation von EEG-Signalverläufen deutlich verbessert werden. Dabei wurde zudem die Verallgemeinerungsfähigkeit der ermittelten Netzwerke untersucht, wobei festgestellt wurde, dass auch solche Signalwerte mit guter Genauigkeit approximiert werden, die nicht im Identifikationsverfahren durch die überwachte Parameteroptimierung berücksichtigt waren. Um speziell den Einfluss der Information aus der Korrelation benachbarter Elektrodensignale zu untersuchen, wurde ein Verfahren zur multivariaten Prädiktion mit Discrete Time CNN (DT-CNN) entwickelt.
Hierbei werden durch ein CNN Signalwerte der betrachteten Elektrode aus vergangenen, korrelierten Signalwerten von Nachbarelektroden geschätzt. Für diese Aufgabenstellung konnte eine Methode zur Bestimmung der Netzwerkparameter im optimalen Sinn, alleine aus den statistischen Eigenschaften der Elektrodensignale angegeben werden. Dadurch gelang eine erhebliche Reduzierung der Rechenkomplexität, die eine umfangreiche Untersuchung intrakranieller Langzeitableitungen ermöglichte.
Zur Analyse von Langzeitaufzeichnungen mit dem RD-CNN Identifikationsverfahren, wurden die numerischen Berechnungen zur Simulation von CNN mit FORCE++ auf einem durchsatz-orientierten Hochleistungs-Rechnernetzwerk durchgeführt. Mit den so gewonnen Ergebnissen konnten vergleichende Analysen vorgenommen werden. Zudem wurden Untersuchungen zum Vorliegen lokaler Aktivität in den ermittelten RD-CNN durchgeführt.
Die bei den beschriebenen Verfahren extrahierten Kenngrößen hirnelektrischer Aktivität wurden durch ein automatisiertes Verfahren auf ihre Vorhersagekraft für epileptische Anfälle bewertet. Dabei wurde untersucht, inwieweit der anfallsfreie Zustand und ein angenommener Voranfallszustand durch die jeweils betrachtete Kenngröße im statistischen Sinn diskriminiert werden kann. Durch parallele Analysen mit Anfallszeitsurrogaten wurden hierzu ergänzende Signifikanztests durchgeführt.
Nach Auswertung von mehrtägigen Hirnstromsignalen verschiedener Patienten konnte festgestellt werden, dass mit den in dieser Arbeit entwickelten Verfahren Kenngrößen hirnelektrischer Aktivität bestimmt werden konnten, welche offenbar die Identifikation potentieller Voranfallszustände ermöglichen.
Auch wenn für eine breite medizinische Anwendung die Spezifität und Sensitivität noch weiter verbessert werden muss, so können doch die erzielten Ergebnisse einen wesentlichen Schritt hin zu einer implantierbaren, CNN-basierten Plattform zur Erkennung und Verhinderung epileptischer Anfälle darstellen. Die Berechnungen für das Identifikationsverfahren mit RD-CNN könnten dabei durch zukünftige, spezialisierte schaltungstechnische Realisierungen für mehrschichtige CNN mit polynomialen Gewichtsfunktionen eine erhebliche Beschleunigung erfahren.
Quarkonia are very promising probes to study the quark-gluon plasma. The essential baseline for measurements in heavy-ion collisions is high-precision data from proton-proton interactions. However, the basic mechanisms of quarkonium hadroproduction are still being debated. The most common models, the Color-Singlet Model, the non-relativistic QCD approach and the Color-Evaporation Model, are able to describe most of the available cross-section data, despite of their conceptual differences. New measures, such as the polarization, and data at a new energy regime are crucial to test the competing models. Another issue is an eventual interplay between the production process of a quarkonium state and the surrounding pp event. Current Monte Carlo event generators treat the hard scattering independently from the rest of the so-called underlying event. The investigation of possible correlations with the pp event might be very valuable for a detailed understanding of the production processes. ALICE ist the dedicated heavy-ion experiment at the LHC. Its design has been optimized for high-precision measurements in very high track densities and down to low transverse momenta. ALICE is composed of various different detectors at forward and at central rapidities. The most important detectors for this study are the Inner Tracking System and the Time Projection Chamber, allowing to reconstruct and identify electron candidate tracks within eta < 0.9. The Transition Radiation Detector has not been utilized at this stage of the analysis; however, it will strongly improve the particle identification and provide a dedicated trigger in the upcoming beam periods. ...
Im Rahmen dieser Arbeit wurde die Analyse von Dielektronen im Bereich niedriger Massen für zwei unterschiedliche Magnetfeldstärken des ALICE-L3-Magneten untersucht. Hierfür wurden zwei Arten von Simulationen, volle Simulationen und schnelle Simulationen, jeweils für die Magnetfeldeinstellungen 0, 2 T und 0, 5 T erstellt und verglichen. Zunächst wurde die Konsistenz der vollen und schnellen Simulationen anhand von Monte Carlo Truth Spektren überprüft. Es zeigte sich eine gute Übereinstimmung der invarianten Massenspektren mit Ausnahme der f-Resonanz, die in den schnellen Simulationen fast 3-mal höher lag. Dann wurden die vollen Simulationen der Magnetfeldeinstellung 0, 5 T mit ALICEMessdaten desselben Magnetfeldes verglichen. Hierbei zeigte sich, dass die Messdaten im Hinblick auf die Transversalimpulsverteilung der einzelnen Elektronen um einen Faktor 1, 2 bis 2 und im Hinblick auf die Transversalimpulsverteilung der Paare um einen Faktor 2 bis 2, 5 über den Simulationen lagen. Dies konnte zum Teil auf eine Kontamination durch Pionen zurückgeführt werden. Das Signal-Untergrund-Verhältnis war mit 0, 99 für die Simulationen 6-mal größer als das der Messdaten mit 0, 16. Die normierte Signifikanz der Simulationen von 0, 0044 lag 3,5-mal über dem Wert 0, 0012 der Messdaten. Für die schnellen Simulationen wurden die Effizienzen für einzelne Elektronen benötigt. Diese wurden mithilfe von Boxensimulationen erstellt. Es wurde zwischen den Elektronidentifikationsmethoden TOF optional und TOF required und den Magnetfeldstärken 0, 2 T und 0, 5 T unterschieden. Die Boxensimulationen ergaben, dass bei einem Magnetfeld von 0, 2 T insgesamt mehr Elektronen rekonstruiert und identifiziert werden konnten. Außerdem konnte die Analyse zu niedrigeren Transversalimpulsen hin ausgedehnt werden. Die schnellen Simulationen zeigten, dass eine Reduktion des Magnetfeldes von 0, 5 T auf 0, 2 T eine Erhöhung der Anzahl an gemessenen Paaren um einem Faktor 2, 0 für die Elektronidentifikation TOF optional und um einem Faktor 6, 0 für die Elektronidentifikation TOF required zur Folge hat. Die vollen Simulationen der Elektronidentifikation TOF optional ergaben nach Reduktion des Magnetfeldes eine Verbesserung des Signal-zu-Untergrund-Verhältnisses um 11% von 0, 98 auf 1, 11. Die Signifikanz konnte von 0, 0043 auf 0, 0060, d.h. um 40%, verbessert werden. Für die Elektronidentifikation TOF required erhielt man ein Signal-zu-Untergrund-Verhältnis von 16, 5 (0, q 2 T) und 19, 1 (0, 2 T). Jedoch war die normierte Signifikanz (sgn = sqrt((s exp 2)/2*B)* (1/sqrt(NEv)))) für das reduzierte Magnetfeld 100% höher und lag bei 0, 086, während sie für 0, 5 T einen Wert von 0, 0043 hatte. In der vorliegenden Arbeit konnte gezeigt werden, dass eine Reduktion der Magnetfeldstärke des ALICE-L3-Magneten von 0, 5 T auf 0, 2 T zu Verbesserungen in der Messung von Elektron-Positron-Paaren führt. Als Fazit kann angenommen werden, dass eine Datennahme bei einem reduzierten Magnetfeld von 0, 2 T sinnvoll erscheint.
Interacting ultracold gases in optical lattices: non-equilibrium dynamics and effects of disorder
(2012)
This dissertation aims at giving a theoretical description of various applications of ultracold gases. A particular focus is cast upon the dynamical evolution of bosonic condensates in non-equilibrium by means of the time-dependent Gutzwiller method. Ground state properties of strongly interacting fermionic atoms in box and speckle disordered lattices are investigated via real-space dynamical mean-field theory. ...
In this thesis I use effective models to investigate the properties of QCD-like theories at nonzero temperature and baryon chemical potential. First I construct a PNJL model using a lattice spin model with nearestneighbor interactions for the gauge sector and four-fermion interactions for the quarks in (pseudo)real representations of the gauge group. Calculating the phase diagram in the plane of temperature and quark chemical potential in QCD with adjoint quarks, it is qualitatively confirmed that the critical temperature of the chiral phase transition is much higher than the deconfinement transition temperature. At a chemical potential equal to half of the diquark mass in the vacuum, a diquark Bose–Einstein condensation (BEC) phase transition occurs. In the two-color case, a Ginzburg–Landau expansion is used to study the tetracritical behavior around the intersection point of the deconfinement and BEC transition lines which are both of second order. A compact expression for the expectation value of the Polyakov loop in an arbitrary representation of the gauge group is obtained for any number of colors, which allows us to study Casimir scaling at both nonzero temperature and chemical potential. Subsequently I study the thermodynamics of two-color QCD (QC2D) at high temperature and/or density using ZQCD, a dimensionally reduced superrenormalizable effective theory, formulated in terms of a coarse grained Wilson line. In the absence of quarks, the theory is required to respect the Z2 center symmetry, while the effects of quarks of arbitrary masses and chemical potentials are introduced via soft Z2 breaking operators. Perturbative matching of the effective theory parameters to the full theory is carried out explicitly, and it is argued how the new theory can be used to explore the phase diagram of two-color QCD.
The subject of this thesis aimed at a better understanding of the spectacular X-ray burst. The most likely astrophysical site is a very dense neutron star, which accretes H/He-rich matter from a close companion. While falling towards the neutron star, the matter is heated up and a thermonuclear runaway is ignited. The exact description of this process is dominated by the properties of a few proton-rich radioactive isotopes, which have a low interaction probability, hence a high abundance.
The topic of this thesis was therefore an investigation of the short-lived, proton-rich isotopes 31Cl and 32Ar. The Coulomb dissociation method is the modern technique of choice. Excitations with energies up to 20 MeV can be induced by the Lorentz contracted Coulomb field of a lead target. At the GSI Helmholtzzentrum für Schwerionenforschung GmbH in Darmstadt, Germany, a Ar beam was accelerated to an energy of 825 AMeV and fragmented in a beryllium target. The fragment separator was used to select the desired isotopes with a remaining energy of 650 AMeV. They were subsequently directed onto a 208 Pb target in the ALAND/LAND setup. The measurement was performed in inverse kinematics. All reaction products were detected and inclusive and exclusive measurements of the respective Coulomb dissociation cross sections were possible.
During the analysis of the experiment, it was possible to extract the energy-differential excitation spectrum of 31Cl, and to constrain astrophysically important parameters for the time-reversed 30S(p,γ)31Cl reaction. A single resonance at 0.443(37) MeV dominates the stellar reaction rate, which was also deduced and compared to previous calculations.
The integrated Coulomb dissociation cross section of this resonance was determined to 15(6) mb. The astrophysically important one- and two-proton emission channels were analyzed for 32Ar and energy-differential excitation spectra could be derived. The integrated Coulomb dissociation cross section for two proton emission were determined with two different techniques. The inclusive measurement yields a cross section of 214(29stat)(20sys) mb, whereas the exclusive reconstruction results in a cross section of 226(14stat)(23sys) mb. Both results are in very good agreement. The Coulomb dissociation cross section for the one-proton emission channel is extracted solely from the exclusive measurement and is 54(8stat)(6sys) mb.
Furthermore, the development of the Low Energy Neutron detector Array (LENA) for the upcoming R3B setup is described. The detector will be utilized in charge-exchange reactions to detect the low-energy recoil neutrons from (p,n)-type reactions. These reaction studies are of particular importance in the astrophysical context and can be used to constrain half lifes under stellar conditions. In the frame of this work, prototypes of the detector were built and successfully commissioned in several international laboratories.
The analysis was supported by detailed simulations of the detection characteristics.
Detailed knowledge of reaction mechanisms is key to understanding chemical, biological, and biophysical processes. For many reasons, it is desirable to comprehend how a reaction proceeds and what influences the reaction rate and its products.
In biophysics, reaction mechanisms provide insight into enzyme and protein function, the reason why they are so efficient, and what determines their reaction rates. They also reveal the relationship between the function of a protein and its structure and dynamics.
In chemistry, reaction mechanisms are able to explain side products, solvent effects, and the stereochemistry of a product. They are also the basis for potentially optimizing reactions with respect to yield, enhancing the stereoselectivity, or for modifying reactions in order to obtain other related products.
A key step to investigate reaction mechanisms is the identification and characterization of intermediates, which may be reactive, short-lived, and therefore only weakly populated. Nowadays, the structures of those can in most cases only be hypothesized based on products, side products, and isolable intermediates, because intermediates with a life time of less than a few microseconds are not accessible with the commonly used techniques for structure determination such as X-ray crystallography and nuclear magnetic resonance (NMR) spectroscopy.
In this thesis, two-dimensional infrared (2D-IR) spectroscopy is shown to be a powerful complement to the existing techniques for structure determination in solution. 2D-IR spectroscopy uses a femtosecond laser setup to investigate interactions between vibrations - analogous to 2D-NMR, which investigates the interactions between spins. Its ultrafast time resolution makes 2D-IR spectroscopy particularly well suited for the two topics investigated in this thesis: Structure Determination of Reactive Intermediates and Conformational Dynamics of Proteins.
Structure Determination of Reactive Intermediates: The focus of this thesis is using polarization-dependent 2D-IR (P2D-IR) spectroscopy for structure determination of N-crotonyloxazolidinone (referred to as 1), a small organic compound with a chiral oxazolidinone, known as Evans auxiliary, and its reactive complexes with the Lewis acids SnCl4 and Mg(ClO4)2. Chiral oxazolidinones in combination with Lewis acids have frequently been used in stereoselective synthesis for over 30 years. Nevertheless, the detailed mechanisms are in many cases xvi ABSTRACT still mere hypotheses and have not yet been experimentally proven. By accurately measuring the angles between the transition dipole moments in the molecules using an optimized P2D-IR setup and comparing the results to DFT calculations, the conformation of 1 and the conformation and coordination of the main complexes with SnCl4 and Mg(ClO4)2 are unequivocally identified and analyzed in depth. Structural details, such as a slight twist in the solution structure of 1, are detected using P2D-IR spectroscopy; these cannot be inferred from NMR spectroscopy or DFT calculations. In addition to the main Lewis acid complexes, complexes in low concentration are detected and tentatively assigned to different conformations and complexation geometries. The knowledge of those structures is essential for rationalizing the observed stereoselectivities. Additionally, a method is introduced that enables structure determination of molecules in complex mixtures and even in the presence of molecules with similar spectral properties and in high concentration. This work sets the stage for future studies of other substrate-catalyst complexes and reaction intermediates for which the structure determination has not been possible to date.
Conformational Dynamics of Proteins: Exchange 2D-IR spectroscopy allows the investigation of fast dynamics without disturbing the equilibrium of the exchanging species. It is therefore well suited to investigate fast dynamics of proteins and to reveal the speed limit of those. The temperature dependence of the conformational dynamics between the myoglobin substates A1 and A3 in equilibrium is analyzed. The various substates of myoglobin can be detected with FTIR spectroscopy, if carbon monoxide is bound to the heme. From previous studies it is known that the exchange rates at room temperature are in the picosecond time range, well suited to be investigated by 2D-IR spectroscopy. In the temperature range between 0 °C and 40 °C only a weak temperature dependence of the exchange rate in the myoglobin mutant L29I is observed in the present study. The exchange rate approximately doubles from 15 ns-1 at 0 °C to 31 ns-1 at 40 °C. It turned out that the conformational dynamics correlates linearly with the solvent viscosity, which itself is temperature dependent. Comparing our results to measurements at cryogenic temperatures, the linear relation between exchange time constant for this process and the viscosity is shown for the temperature range between -100 °C and 40 °C (corresponding to a viscosity change of 14 orders of magnitude). Thus, it is proven that the dynamics of the conformational switching are mainly determined by solvent dynamics, i.e., the protein dynamics are slaved to the solvent dynamics. This is the first time slaving is observed for such fast processes (in the picosecond time range). The observation implies a long-range structural rearrangement between the myoglobin substates A1 and A3. In addition, the exchange for other mutants and wild type myoglobin is analyzed qualitatively and found to agree with the conclusions drawn from L29I myoglobin.
The intriguing effects of electroweak induced parity violation (PV) in molecules have yet to be observed, but experiments on molecular PV promise to provide fascinating insights. They potentially offer a novel testing ground for the low energy sector of the standard model and, in addition, a successful measurement of PV differences between the two enantiomers of a chiral molecule could promote a deeper understanding of molecular chirality, by essentially establishing a new link between particle physics and biochemistry. A key challenge in the design of such experiments is the identification of suitable molecules, which in turn requires widely applicable computational schemes for the prediction of PV experimental signals. To this end, a quasirelativistic density functional theory approach to the calculation of PV effects in nuclear magnetic resonance (NMR) spectra of chiral molecules has been developed and implemented during the course of this thesis. It includes relativistic as well as electron--correlation effects and has been used extensively in the screening of molecules possibly suited for a first observation of molecular PV. Some relevant compound classes have been identified, but none of their selected representatives are predicted to exhibit PV NMR frequency shifts that can be detected under current experimental restrictions. In order to advance the design of molecules which exhibit particularly large PV signals in experiments, systematic effects on PV NMR frequency splittings such as scaling with nuclear charge, conformational dependence and the impact of atomic substitution around the NMR active nucleus have been studied. Previously predicted scaling laws were confirmed and it was determined that the environment of the NMR active nucleus, both in terms of conformation and atomic composition, can be tuned to increase PV frequency shifts by several orders of magnitude. In addition to molecules suited for NMR experiments, a fascinating chiral actinide compound was studied with regard to PV frequency shifts in vibrational spectra. This compound displays the largest such shift ever predicted for an existing molecule, which lies well within the attainable experimental resolution. The challenge now lies in making it compatible with current experimental setups.
Seit Anbeginn der Festkörperphysik ist die Frage, warum manche Materialien metallisch sind, andere dagegen isolierend, von zentraler Bedeutung. Eine erste Erklärung wurde durch die Bändertheorie [23, 44] gegeben. Die Elektronen sind dem periodischen Potential der Rumpfatome ausgesetzt, wodurch ein Energiespektrum bestehend aus Bändern erzeugt wird und die Füllung dieser Bänder bestimmt die Leitungseigenschaften des Festkörpers. ...
The study of systems whose properties are governed by electronic correlations is a corner stone of modern solid-state physics. Often, such systems feature unique and distinct properties like Mott metal-insulator transitions, rich phase diagrams, and high sensitivity to subtle changes in the applied conditions. Whereas the standard approach to electronic structure calculations, density functional theory (DFT), is able to address the complexity of real-world materials but is known to have serious limitations in the description of correlations, the dynamical mean-field theory (DMFT) has become an established method for the treatment of correlated fermions, first on the level of minimal models and later in combination with DFT, termed LDA+DMFT.
This thesis presents theoretical calculations on different materials exhibiting correlated physics, where we aim at covering a range in terms of systems --from rather weakly correlated to strongy correlated-- as well as in terms of methods, from DFT calculations to combined LDA+DMFT calculations. We begin with a study on a selection of iron pnictides, a recently discovered family of high-temperature superconductors with varying degree of correlation strength, and show that their magnetic and optical properties can be assessed to some degree within DFT, despite the correlated nature of these systems. Next, extending our analysis to the inclusion of correlations in the framework of LDA+DMFT, we discuss the electronic structure of the iron pnictide LiFeAs which we find to be well described by Fermi liquid theory with regard to many of its properties, yet we see distinct changes in its Fermi surface upon inclusion of correlations. We continue the study of low-energy properties and specifically Fermi surfaces on two more iron pnictides, LaFePO and LiFeP, and predict a topology change of their Fermi surfaces due to the effect of correlations, with possible implications for their superconducting properties. In our last study, we close the circle by presenting LDA+DMFT calculations on an organic molecular crystal on the verge of a Mott metal-insulator transition; there, we find the spectral and optical properties to display signatures of strong electronic correlations beyond Fermi liquid theory.
Die vorliegende Arbeit befasst sich mit der Hochfrequenzabstimmung und den Feldoptimierungen zweier Linearbeschleunigerstrukturen für eine in der Entwicklung befindliche Forschungsanlage an der Goethe-Universität in Frankfurt am Main. Ein 4-Rod-RFQ sowie ein IH-Driftröhrenbeschleuniger sollen gekoppelt betrieben, d.h. nicht wie üblich von zwei, sondern nur von einem Hochfrequenz-Sender mit Leistung versorgt werden. Hierdurch lässt sich nicht nur der benötigte Platz reduzieren, sondern auch ein beträchtlicher Teil der Kosten des Projekts einsparen. Um das Verhalten der gekoppelten Beschleuniger genauer vorhersagen zu können, wurden Untersuchungen an bereits gebauten Modellen im Maßstab 1:2 durchgeführt und diese vermessen. Eine Methode zur systematischen Anpassung der Feldverteilung in 4-Rod-RFQs wurde darüber hinaus am einzeln betriebenen RFD-Modell angewandt und optimiert, sowie ein Algorithmus zur Automatisierung entwickelt. Parallel laufende Computersimulationen ermöglichten Vergleiche zu den realen Messwerten. Darüberhinaus konnten Rückschlüsse auf die Genauigkeit der Simulationen am Computermodell gezogen und hier liegende Herausforderungen, auch in Bezug auf die bei FRANZ zum Einsatz kommenden Beschleunigerstrukturen, näher untersucht werden. Hieraus resultierende Empfehlungen für das Design der FRANZ-IH-Struktur konnten gegeben werden und wurden bereits umgesetzt.
An der Goethe Universität in Frankfurt wird ein Konzept für ein magnetostatischen Hochstromspeicherring für Protonen- und Ionenstrahlen entwickelt und untersucht. Zur Zeit stehen dem Experiment zwei Toroidsegmente und eine Volumenionenquelle zur Verfügung. An diesem Aufbau werden Experimente mit dem Ziel die Strahldynamik zu untersuchen und die Strahldiagnose in toroidalen Magnetfeldern zu entwickeln, durchgeführt [Joshi] Für Experimente ist eine Strahldiagnose entlang der starken toroidalen Magnetfelder bis maximal 0, 6T nötig. Dabei sind die zur Verfügung stehenden Strahldiagnoseverfahren zum Einen ein Faraday-Cup und zum Anderen ein entlang des kompletten Aufbaus beweglicher Szintillatordetektor. Der Szintillatordetektor, besteht aus einem Phosphorschirm und einer Kamera, die hinter dem Schirm angebracht ist. [Nonn] Aufgrund der geschlossenen Ringgeometrie und dem Anspruch auf eine hohe Flexibilität des Detektors ist die Konstruktion eines neuen von starken Magnetfeldern unbeeinflussbaren und sehr kompakten Detektors notwendig. Ziel dieser Arbeit ist es, ein allgemeines Strahldiagnoseverfahren zu entwickeln.
Zur Erforschung des Strahlstransports durch zwei Toroidsegmente wurden im Rahmen dieser Arbeit theoretische Betrachtungen, Simulationen und experimentelle Untersuchungen durchgeführt. Dazu wurde ein toroidaler Teststand, bestehend aus zwei 30 Grad Toroidsegmenten mit einer magnetischen Feldstärke von 0,6 T und einer Driftsektion zwischen diesen beiden Magneten von 400 mm Länge, verwendet. Von einer Volumenionenquelle wurde ein Wasserstoffionenstrahl erzeugt und dieser mittels eines Solenoids angepasst und in das erste Toroidsegment eingeschossen. Mit Hilfe eines beweglichen Detektors konnte der Ionenstrahl an jeder Position im Rezipienten beim Transport durch den toroidalen Aufbau experimentell untersucht und vermessen werden.
Bei den Experimenten mit dem vorhandenen Detektor konnten auf den Aufnahmen der Leuchtdichteverteilung starke Sekundärelektroneneffekte beobachtet werden, welche die Untersuchung des Ionenstrahls mit dem Detektor erschwerten oder teilweise ganz unmöglich machten. Aus diesem Grund wurde zur Unterdrückung dieser Elektronen eine Wasserstoffatmosphäre im Rezipienten aufgebaut, welche die Elektronen stärker absorbiert als die Ionen und damit die Beobachtung des Ionenstrahls ermöglichen sollte. Auf diesem Wege lässt sich das transversale Verhalten des Strahls beim Strahltransport durch die toroidalen Magnetfelder mit dem vorhandenen Detektor untersuchen. Die Auswirkungen des Wasserstoffgases auf die geladenen Teilchen wurden dabei theoretisch und experimentell untersucht und analysiert. Die Auswirkung von Helium-, Stickstoff- und Argongas auf den Ionenstrahl und die Elektronen wurde in diesem Zusammenhang experimentell betrachtet.
Des Weiteren wurde mit Hilfe des Computerprogramms TBT der Strahltransport durch die zwei toroidalen Magnetfeldsegmente unter Verwendung von Referenzeinstellungen simuliert und die Ergebnisse mit den theoretischen und experimentellen Daten des Strahltransports verglichen. Bei diesen Simulationen konnten die Gyrationsbewegungen sowie die Transmission des Ionenstrahls durch die Driftsektion genauer untersucht werden.
Da die Magnetfelder der Toroidsegmente auch in der Driftsektion als Führungsfelder dienen sollen, sind die im experimentellen Aufbau verwendeten Toroidsegmente nicht magnetisch geschirmt. Dies hat zur Folge, dass das von den Magneten erzeugte Feld Auswirkungen auf andere Komponenten des toroidalen Teststandes besitzt. Aus diesem Grund wurden die Auswirkungen dieser Magnetfelder auf die Ionenquelle sowie auf das Druckmesssystem des Teststands genauer betrachtet.
We present, in the framework of the interacting hadron resonance gas, an evaluation of thermodynamical quantities. The interaction is modelled via a correction for the finite size of the hadrons. We investigate the sensitivity of the model calculations on the radius of the hadrons, which is a parameter of the model. Our calculations for thermodynamical quantities as energy and entropy densities and pressure are confronted with predictions using the lattice Quantum Chromodynamics (QCD) formalism.
In der modernen Festkörperphysik spielen elektronisch stark korrelierte Systeme mit ihrem komplexen Vielteilchenverhalten eine zentrale Rolle. Insbesondere das Wechselspiel zwischen thermischen und Quantenfluktuationen in den Ladungs- und Spinfreiheitsgraden führt zur Entstehung verschiedenster neuartiger Grundzustände.
Die vorliegende Dissertation „Ultrasonic and Magnetic Investigations in frustrated Lowdimensional Spin Systems“ beschäftigt sich mit den besonderen physikalischen Eigenschaften niedrig dimensionaler Spinsysteme. Diese Materialklasse, die auch zu den stark korrelierten Systemen zählt, wird seit vielen Jahren intensiv sowohl experimentell als auch theoretisch untersucht. Auf theoretischer Seite sind die niedrigdimensionalen Spinsysteme besonders interessant, da sie als Modellsysteme die exakte Beschreibung des Grundzustandes und des Anregungsspektrums ermöglichen. Von experimenteller Seite ist es in den letzten Jahrzehnten gelungen, verschiedenste Materialklassen niedrigdimensionaler Spinsysteme zu synthetisieren.
In der vorliegenden Arbeit werden die grundlegenden Theorien und physikalischen Konzepte niedrigdimensionaler Spinsysteme diskutiert. Insbesondere auch die Spin-Phonon-Wechselwirkung dieser Materialien, die für die hier beobachteten elastischen Anomalien verantwortlich ist. Weiterhin wird auch das elastische Verhalten bei magnetischen Phasenübergängen beschrieben.
Da die Ultraschallexperimente einen Schwerpunkt dieser Arbeit bilden, wird der Versuchsaufbau zur phasenempfindlichen Detektion von Schallgeschwindigkeit und Ultraschalldämfung ausführlich beschrieben. Diese Messmethode ist ideal zur Untersuchung der Spin-Phonon Wechselwirkung geeignet.
Thermal expansion measurements provide a sensitive tool for exploring a material's thermodynamic
properties in condensed matter physics as they provide useful information
on the electronic, magnetic and lattice properties of a material. In this thesis, thermal
expansion measurements have been carried out both at ambient-pressure and under hydrostatic
pressure conditions. From the materials point of view, the spin-liquid candidate
Kappa-(BEDT-TTF) 2 Cu 2(CN)3 has been studied extensively as a function of temperature and
magnetic field. Azurite, Cu 3 (CO 3) 2 (OH) 2 - a realization of a one-dimensional distorted
Heisenberg chain is also studied both at ambient and hydrostatic pressure to demonstrate
the proper functioning of the newly built setup "thermal expansion under pressure". ...
The spatial configuration of initial partons in high multiplicity proton–proton scatterings at 14 TeV is assumed as three randomly positioned “hot spots”. The parton momentum distribution in the hot spots is calculated by HIJING2.0 with some modifications. This initial condition causes not only large eccentricity ϵ2 but also triangularity ϵ3 and the correlation of ϵ2−ϵ3 event-plane angles. The final elliptic flow v2, triangular flow v3, and the correlation of v2−v3 event-plane angles are calculated by using the parton cascade model BAMPS to simulate the space–time parton evolution. Our results show that the v2−v3 correlation is different from that of ϵ2−ϵ3. This finding indicates that translations of different Fourier components of the initial spatial asymmetry to the final flow components are not independent. A dynamical correlation between the elliptic and triangular flow appears during the collective expansion.
We investigate the ratios βη≡η/τπ and βζ≡ζ/τΠ, i.e., the ratios of shear, η, and bulk, ζ, viscosities to the relaxation times τπ, τΠ of the shear stress tensor and bulk viscous pressure, respectively, in the framework of causal relativistic dissipative fluid dynamics. These viscous transport coefficients are computed both in a field-theoretical and a kinetic approach based on the Boltzmann equation. Our results differ from those of the traditional Boltzmann calculation by Israel and Stewart. The new expressions for the viscous transport coefficients agree with the results obtained in the field-theoretical approach when the contributions from pair annihilation and creation (PAC) are neglected. The latter induce non-negligible corrections to the viscous transport coefficients.
The objective of this work is twofold. First, we explore the performance of the density functional theory (DFT) when it is applied to solids with strong electronic correlations, such as transition metal compounds. Along this direction, particular effort is put into the refinement and development of parameterization techniques for deriving effective models on a basis of DFT calculations. Second, within the framework of the DFT, we address a number of questions related to the physics of Mott insulators, such as magnetic frustration and electron-phonon coupling (Cs2CuCl4 and Cs2CuBr4), high-temperature superconductivity (BSCCO) and doping of Mott insulators (TiOCl). In the frustrated antiferromagnets Cs2CuCl4 and Cs2CuBr4, we investigate the interplay between strong electronic correlations and magnetism on one hand and electron-lattice coupling on the other as well as the effect of this interplay on the microscopic model parameters. Another object of our investigations is the oxygen-doped cuprate superconductor BSCCO, where nano-scale electronic inhomogeneities have been observed in scanning tunneling spectroscopy experiments. By means of DFT and many-body calculations, we analyze the connection between the structural and electronic inhomogeneities and the superconducting properties of BSCCO. We use the DFT and molecular dynamic simulations to explain the microscopic origin of the persisting under doping Mott insulating state in the layered compound TiOCl.
A new era in experimental nuclear physics has begun with the start-up of the Large Hadron Collider at CERN and its dedicated heavy-ion detector system ALICE. Measuring the highest energy density ever produced in nucleus-nucleus collisions, the detector has been designed to study the properties of the created hot and dense medium, assumed to be a Quark-Gluon Plasma.
Comprised of 18 high granularity sub-detectors, ALICE delivers data from a few million electronic channels of proton-proton and heavy-ion collisions.
The produced data volume can reach up to 26 GByte/s for central Pb–Pb
collisions at design luminosity of L = 1027 cm−2 s−1 , challenging not only the data storage, but also the physics analysis. A High-Level Trigger (HLT) has been built and commissioned to reduce that amount of data to a storable value prior to archiving with the means of data filtering and compression without the loss of physics information. Implemented as a large high performance compute cluster, the HLT is able to perform a full reconstruction of all events at the time of data-taking, which allows to trigger, based on the information of a complete event. Rare physics probes, with high transverse momentum, can be identified and selected to enhance the overall physics reach of the experiment.
The commissioning of the HLT is at the center of this thesis. Being deeply embedded in the ALICE data path and, therefore, interfacing all other ALICE subsystems, this commissioning imposed not only a major challenge, but also a massive coordination effort, which was completed with the first proton-proton collisions reconstructed by the HLT. Furthermore, this thesis is completed with the study and implementation of on-line high transverse momentum triggers.
Zellulare Nichtlineare Netzwerke bzw. Zellulare Neuronale Netzwerke, sogenannte CNN, wurden 1988 von L.O. Chua und L.Yang eingeführt und seither intensiv untersucht. Diese sind als Simulations-Software und als schaltungstechnische Realisierungen, in Hardware, verfügbar.
Als analog arbeitende Hardware Schaltungen können diese Netzwerke erhebliche Rechenleistungen erzielen.
Durch ihren Aufbau ermöglichen sie eine parallele Daten- und Signalverarbeitung.
Eine Einführung in CNN wird gegeben und das EyeRIS 1.1 Systems des Unternehmens ANAFOCUS Ltd. vorgestellt.
Das EyeRIS 1.1 System ist mit einem analog arbeitenden Focal Plane Prozessor (FPP) und einem digitalen Prozessor ausgestattet, wobei der Focal Plane Prozessor auch als Kamera zur Aufnahme von Bildern und Bildsequenzen benutzt werden kann.
Dies ermöglicht es, analoge CNN-Algorithmen zusammen mit digitalen Algorithmen auf einem System zu implementieren und so die Vorteile beider Ansätze zu nutzen. Der Datenaustausch zwischen dem analogen und digitalem Teil des EyeRIS 1.1 Systems geschieht mittels digital/analog und analog/digital Wandlung. Es werden Algorithmen auf dem EyeRIS 1.1 System untersucht und mit Ergebnissen die mittels Simulationen erzeugt wurden verglichen.
In Voruntersuchungen werden die Darstellungsgenauigkeit von Werten im analogen Teil des EyeRIS 1.1 Systems und die Verarbeitungsgeschwindigkeiten des EyeRIS 1.1 Systems untersucht.
Im Weiteren wird besonderes Augenmerk auf medizinische und technische Anwendungsgebiete gelegt werden.
Im medizinischen Anwendungsbereich wird die Implementierung von Algorithmen zur Vorhersage epileptischer Anfälle untersucht.
Hierfür wird ein evolutionär motiviertes Optimierungsverfahren entwicklet und auf dem EyeRIS 1.1-System implementiert.
Hierbei werden Simulationen durchgeführt und mit Ergebnissen, die mittels Verwendung des EyeRIS 1.1 Systems erlangt wurden, verglichen.
Ein zweites Verfahren geht die Signalanalyse für die Vorhersage auf dem EyeRIS 1.1-System mittels Mustererkennung an.
Das Mustererkennungsverfahren wird eingehend beschrieben sowie die hierbei zu beachtenden Randbedingungen erläutert.
Die Ergebnisse zeigen, daß Algorithmen zur Vorhersage von epileptischen Anfällen auf schaltungstechnichen Realisierungen von CNN implementiert werden können.
Im technischen Bereich wird die Anwendbarkeit auf die Problemstellung der Bildverarbeitung gelegt und die Möglichkeit von CNN basierten Algorithmen zur Erkennung von Prozessparametern bei Laserschweißverfahren untersucht. Ein solcher Prozessparameter ist das sogenannte Key-Hole, welches in Bildsequenzen von Laserschweißprozessen als ein Maß für die zu erwartende Qualität einer Schweißnaht herangezogen werden kann. Ein CNN basierter Algorithmus für die Erkennung solcher Key-Holes wird in dieser Arbeit vorgestellt und untersucht.
Für die Überwachung eines Laserschweißverfahrens wird der entwickelte Algorithmius und seine Funktionsweise beschrieben.
Dieser wird in Teilalgorithmen auf die analog bzw. digital arbeitenden Komponenten des EyeRIS 1.1 Systems verteilt.
Die Teilalgorithmen und die möglichen Aufteilungen und deren Laufzeitverhalten werden beschrieben und untersucht.
Die Ergebnisse der Untersuchung zeigen, daß eine Prozessüberwachung mittels CNN möglich ist und heben die Vorteile hervor, welche die Bildaufnahme und -verarbeitung mittels analoger CNN-Hardware bietet.
Eine Untersuchung des Laufzeitverhaltens auf Grafikkarten Prozessoren (GPU's) wird im Anhang vorgestellt.
In this thesis, various aspects on the theoretical description of ultracold bosonic atoms in optical lattices are investigated. After giving a brief introduction to the fundamental concepts of BECs, atomic physics, interatomic interactions and experimental procedures in chapter (1), we derive the Bose-Hubbard model from first principles in chapter (2). In this chapter, we also introduce and discuss a technique to efficiently determine Wannier states, which, in contrast to current techniques, can also be extended to inhomogeneous systems. This technique is later extended to higher dimensional, non-separable lattices in chapter (5). The many-body physics and phases of the Bose-Hubbard is shortly presented in chapter (3) in conjunction with Gutzwiller mean-field theory, and the recently devised projection operator approach. We then return to the derivation of an improved microscopic many-body Hamiltonian, which contains higher band contributions in the presence of interactions in chapter (4). We then move on to many-particle theory. To demonstrate the conceptual relations required in the following chapter, we derive Bogoliubov theory in chapter (5.3.4) in three different ways and discuss the connections. Furthermore, this derivation goes beyond the usual version discussed in most textbooks and papers, as it accounts for the fact, that the quasi-particle Hamiltonian is not diagonalizable in the condensate and the eigenvectors have to be completed by additional vectors to form a basis. This leads to a qualitatively different quasi-particle Hamiltonian and more intricate transformation relations as a result. In the following two chapters (7, 8), we derive an extended quasi-particle theory, which goes beyond Bogoliubov theory and is not restricted to weak interactions or a large condensate fraction. This quasi-particle theory naturally contains additional modes, such as the amplitude mode in the strongly interacting condensate. Bragg spectroscopy, a momentum-resolved spectroscopic technique, is introduced and used for the first experimental detection of the amplitude mode at finite quasi-momentum in chapter (9). The closely related lattice modulation spectroscopy is discussed in chapter (10). The results of a time-dependent simulation agree with experimental data, suggesting that also the amplitude mode, and not the sound mode, was probed in these experiments. In chapter (11) the dynamics of strongly interacting bosons far from equilibrium in inhomogeneous potentials is explored. We introduce a procedure that, in conjunction with the collapse and revival of the condensate, can be used to create exotic condensates, while particularly focusing on the case of a quadratic trapping potential. Finally, in chapter (12), we turn towards the physics of disordered systems derive and discuss in detail the stochastic mean-field theory for the disordered Bose-Hubbard model.
The main purpose of the Transition Radiation Detector (TRD) located in the central barrel of ALICE (A Large Ion Collider Experiment) is electron identification for separation from pions at momenta pt > 1 GeV/c, since in this momentum range the measurements of the specific energy loss (dE/dx) of the Time Projection Chamber (TPC) is no longer sufficient. Furthermore, it provides a fast trigger for high transverse momentum charged particles (pt > 3 GeV/c) and makes a significant contribution to the optimization of the tracking of reaction products in heavy-ion collisions. Its whole setup comprises 18 supermodules out of which 13 are presently operational and mounted cylindrically around the beam axis of the Large Hadron Collider (LHC). A supermodule contains either 30 or 24 chambers, each consisting of a radiator for transition radiation creation, a drift and an amplifying region followed by the read-out electronics. In total, the TRD is an array of 522 chambers operated with about 28 m3 of a Xe-CO2 [85-15%] gas mixture. During the work of this thesis, the testing, commissioning, operation and maintenance of detector parts, the gas system and its online quality monitor, improvements on the detector control user-interface and studies about a new pre-trigger module for data read-out have been accomplished. The TRD gas system mixes, distributes and circulates the operational gas mixture through the detector. Its overall optimization has been achieved by minimizing gas leakage, surveying, controlling, maintaining and continuously improving it as well as designing and carrying out upgrades. Gas quality monitors of the type \GOOFIE" (Gas prOportional cOunter For drIfting Electrons) can be used in gaseous detectors as on-line monitors of the electron drift velocity, gain and gas properties. One of these devices has been implemented within the TRD gas system, while another one surveys the gas of the TPC. Both devices had to be adapted to the specific needs of the detectors, were under constant surveillance and control, and needed to be further developed on both hardware and software side. To improve the operation of the TRD, modifications on its DCS software (Detector Control System) used for monitoring, controlling, operating, regulating and configuring of hardware and computing devices have been carried out. The DCS is designed to enable an operator to interact with equipment through user interfaces that display the information from the system. The main focus of this work was laid on the optimization of the usability and design of the user interface. The front-end electronics of the TRD require an early start signal (\pre-trigger") from the fast forward detectors or the Time-Of-Flight detector during the running periods. The realization of a new hardware concept for the read-out of the TRD pre-trigger system has been studied and first tests were performed. This new module called PIMDDL (Pre-trigger Interface Module Detector Data Link) is meant to acquire all data necessary to simulate and predict the full pre-trigger functionality, and to verify its proper operation. Furthermore, it shall provide all functionalities of the so-called Control Box Bottom as well as keep the functionalities of the already existing PIM (Pre-trigger Interface Module) in order to combine and replace these two modules in the future.