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We discuss the possibility of producing a new kind of nuclear system by putting a few antibaryons inside ordinary nuclei. The structure of such systems is calculated within the relativistic mean field model assuming that the nucleon and antinucleon potentials are related by the G parity transformation. The presence of antinucleons leads to decreasing vector potential and increasing scalar potential for the nucleons. As a result, a strongly bound system of high density is formed. Due to the significant reduction of the available phase space the annihilation probability might be strongly suppressed in such systems.
The width of the ω meson in cold nuclear matter is computed in a hadronic many-body approach, focusing on a detailed treatment of the medium modifications of intermediate πρ states. The π and ρ propagators are dressed by their self-energies in nuclear matter taken from previously constrained many-body calculations. The pion self-energy includes Nh and Δh excitations with short-range correlations, while the ρ self-energy incorporates the same dressing of its 2π cloud with a full 3-momentum dependence and vertex corrections, as well as direct resonance-hole excitations; both contributions were quantitatively fit to total photo-absorption spectra and πN→ρN scattering. Our calculations account for in-medium decays of type ωN→πN(⁎),ππN(Δ), and 2-body absorptions ωNN→NN(⁎),πNN. This causes deviations of the in-medium ω width from a linear behavior in density, with important contributions from spacelike ρ propagators. The ω width from the ρπ cloud may reach up to 200 MeV at normal nuclear matter density, with a moderate 3-momentum dependence. This largely resolves the discrepancy of linear T–ϱ approximations with the values deduced from nuclear photoproduction measurements.
The dynamics of strange pseudoscalar and vector mesons in hot and dense nuclear matter is studied within a chiral unitary framework in coupled channels. Our results set up the starting point for implementations in microscopic transport approaches of heavy-ion collisions, particularly at the conditions of the forthcoming experiments at GSI/FAIR and NICA-Dubna. In the K̄ N sector we focus on the calculation of (off-shell) transition rates for the most relevant binary reactions involved in strangeness production close to threshold energies, with special attention to the excitation of sub-threshold hyperon resonances and isospin effects (e.g. K̄ p vs K̄ n). We also give an overview of recent theoretical developments regarding the dynamics of strange vector mesons (K*, K̄* and ϕ) in the nuclear medium, in connection with experimental activity from heavy-ion collisions and nuclear production reactions. We emphasize the role of hadronic decay modes and the excitation of hyperon resonances as the driving mechanisms modifying the properties of vector mesons.
n this contribution we lay down a lattice setup that allows for the nonperturbative study of a field theoretical model where a SU(2) fermion doublet, subjected to non-Abelian gauge interactions, is also coupled to a complex scalar field doublet via a Yukawa and an “irrelevant” Wilson-like term. Using naive fermions in quenched approximation and based on the renormalizedWard identities induced by purely fermionic chiral transformations, lattice observables are discussed that enable: a) in theWigner phase, the determinations of the critical Yukawa coupling value where the purely fermionic chiral transformation become a symmetry up to lattice artifacts; b) in the Nambu-Goldstone phase of the resulting critical theory, a stringent test of the actual generation of a fermion mass term of non-perturbative origin. A soft twisted fermion mass term is introduced to circumvent the problem of exceptional configurations, and observables are then calculated in the limit of vanishing twisted mass.
Testing a non-perturbative mechanism for elementary fermion mass generation: numerical results
(2018)
Based on a recent proposal according to which elementary particle masses could be generated by a non-perturbative dynamical phenomenon, alternative to the Higgs mechanism, we carry out lattice simulations of a model where a non-abelian strongly interacting fermion doublet is also coupled to a doublet of complex scalar fields via a Yukawa and an “irrelevant" Wilson-like term. In this pioneering study we use naive fermions and work in the quenched approximation. We present preliminary numerical results both in the Wigner and in the Nambu-Goldstone phase, focusing on the observables relevant to check the occurrence of the conjectured dynamical fermion mass generation effect in the continuum limit of the critical theory in its spontaneously broken phase.
A generalized teleparallel cosmological model, f(TG,T), containing the torsion scalar T and the teleparallel counterpart of the Gauss–Bonnet topological invariant TG, is studied in the framework of the Noether symmetry approach. As f(G,R) gravity, where G is the Gauss–Bonnet topological invariant and R is the Ricci curvature scalar, exhausts all the curvature information that one can construct from the Riemann tensor, in the same way, f(TG,T) contains all the possible information directly related to the torsion tensor. In this paper, we discuss how the Noether symmetry approach allows one to fix the form of the function f(TG,T) and to derive exact cosmological solutions.
Die Primärwirkung von Röntgenstrahlung einer Dosis von 2 — 30 Millionen r auf kristallisiertes Lysozym wurde mit Hilfe physikalisch-chemischer (Elektrophorese, Ultrazentrifuge), chemischer, biochemischer und biologischer Arbeitsmethoden untersucht. Es wurde gefunden, daß durch Bestrahlung eine Reihe nah verwandter, jedoch weniger basischer Proteine verschiedenen Mol.-Gew. entsteht, deren Aminosäure-Bausteine als Folge der Bestrahlung teilweise in andere Verbindungen umgewandelt wurden. Bei der Untersuchung der amino- und carboxyl-endständigen Aminosäuren des bestrahlten Proteins wurden Unterschiede gegenüber Lysozym nur bei den carboxyl-terminalen Gruppen festgestellt. Die biologische Aktivität des Proteins blieb auch nach Bestrahlung mit einer Dosis von 5 Millionen r praktisch unverändert.
We explore some implications of our previous proposal, motivated in part by the Generalised Uncertainty Principle (GUP) and the possibility that black holes have quantum mechanical hair that the ADM mass of a system has the form M+βM2Pl/(2M), where M is the bare mass, MPl is the Planck mass and β is a positive constant. This also suggests some connection between black holes and elementary particles and supports the suggestion that gravity is self-complete. We extend our model to charged and rotating black holes, since this is clearly relevant to elementary particles. The standard Reissner–Nordström and Kerr solutions include zero-temperature states, representing the smallest possible black holes, and already exhibit features of the GUP-modified Schwarzschild solution. However, interesting new features arise if the charged and rotating solutions are themselves GUP-modified. In particular, there is an interesting transition below some value of β from the GUP solutions (spanning both super-Planckian and sub-Planckian regimes) to separated super-Planckian and sub-Planckian solutions. Equivalently, for a given value of β, there is a critical value of the charge and spin above which the solutions bifurcate into sub-Planckian and super-Planckian phases, separated by a mass gap in which no black holes can form.
The neutron capture cross section of some unstable nuclei is especially relevant for s-process nucleosynthesis studies. This magnitude is crucial to determine the local abundance pattern, which can yield valuable information of the s-process stellar environment. In this work we describe the neutron capture (n,γ) measurement on two of these nuclei of interest, 204Tl and 171Tm, from target production to the final measurement, performed successfully at the n_TOF facility at CERN in 2014 and 2015. Preliminary results on the ongoing experimental data analysis will also be shown. These results include the first ever experimental observation of capture resonances for these two nuclei.
Die Dissertation ist in den Bereichen der semiklassischen Quantengravitation und der pseudokomplexen Allgemeinen Relativitätstheorie (pk-ART) anzusiedeln. Dabei wird unter semiklassischer Quantengravitation die Untersuchung quantenmechanischer Phänomene in einem durch eine klassische Gravitationstheorie gegebenen gravitativen Hintergrundfeld verstanden und bei der pk-ART handelt es sich um eine Alternative zu der aktuell anerkannten klassischen Gravitationstheorie, der Allgemeinen Relativitätstheorie (ART), die die reellen Raumzeitkoordinaten der ART pseudokomplex erweitert. Dies führt zusammen mit einer Veränderung des Variationsprinzips in führender Ordnung auf eine Korrektur der Einstein- Gleichung der ART mit einem zusätzlichen Quellterm (Energie-Impuls-Tensor), dessen exakte Form jedoch bisher nicht bekannt ist.
Die Beschreibung der Gravitation als Hintergrundfeld ergibt sich zwangsläufig daraus, dass auf Basis der ART bisher keine quantisierte Beschreibung für sie gefunden werden konnte. Jedoch wird erhofft, dass die Untersuchung semiklassischer Phänomene Hinweise auf die korrekte Theorie der Quantengravitation gibt. Zudem motiviert der Mangel einer quantisierten Gravitationstheorie die Verwendung alternativer Theorien, da sich dadurch die Frage stellt, ob die ART die korrekte Beschreibung klassischer Felder ist.
Das Ziel der vorliegenden Dissertation war die grundlegenden Unterschiede zwischen der ART und der pk-ART für gebundene sphärisch symmetrische Zustände der Klein-Gordon- und der Dirac-Gleichung zu identifizieren und ein qualitatives Modell der Vakuumfluktuationen in sphärisch symmetrischen Materieverteilungen zu bestimmen, wobei der Zusammenhang der pk-ART mit den Vakuumfluktuationen in der Annahme besteht, dass ein Zusammenhang zwischen ihnen und dem zusätzlichen Quellterm der pk-ART existiert. Dafür wurden die gebundenen Zustände der Klein-Gordon- und der Dirac-Gleichung für drei verschiedene Metrikmodelle (zwei ART-Modelle und ein pk-ART-Modell) mit konstanter Dichte systematisch numerisch berechnet, einige repräsentative Grafiken erstellt, anhand derer die grundlegenden Unterschiede der Ergebnisse der ART-Modelle und des pk-ART-Modells erörtert wurden, und die ART Ergebnisse der Dirac-Gleichung soweit wie möglich mit Ergebnissen der Literatur verglichen. Insbesondere wurde dabei festgestellt, dass die Energieeigenwerte in der pk-ART im Gegensatz zu denen in der ART in Abhängigkeit der Ausdehnung des Zentralobjekts ein Minimum aufweisen. Zudem wurden die Energieeigenwerte der Klein-Gordon-Gleichung teilweise sowohl über das Eigenwertproblem einer Matrix als auch über ein Anfangswertproblem berechnet und es wurde festgestellt, dass die Beschreibung als Eigenwertproblem deutlich uneffektiver ist, wenn dafür die Basis des dreidimensionalen harmonischen Oszillators genutzt wird. Für die Entwicklung des qualitativen Vakuumfluktuationsmodells wurden zwei Näherungen für den Erwartungswert des Energie-Impuls-Tensors in führender Ordnung für die Schwarzschildmetrik (ART) verglichen und die Verwendung eines qualitativen Modells durch die dabei auftretende Diskrepanz gerechtfertigt. Danach wurden die Vakuumfluktuationen für Metriken konstanter Materiedichte mit Hilfe einer der Näherungen in führender Ordnung berechnet und ein Modell gesucht, das den gleichen qualitativen Verlauf aufweist. Im Anschluss wurde dieses Modell noch für einfache Metriken mit variabler Materiedichte verifiziert.
Die Dissertation leistet mit der Analyse der gebundenen Zustände einen Beitrag in der Identifikation der Unterschiede zwischen der pk-ART und der ART und führt somit auf weitere mögliche Messgrößen, die der Unterscheidung der beiden Theorien dienen könnten. Weiterhin ermöglicht das abgeleitete Modell eine Verfeinerung der schon publizierten Ergebnisse über Neutronensterne und die für die Erstellung nötigen Vorarbeiten leisten einen Beitrag zur Identifikation des
pk-ART Quellterms.
Dynamics of strange, charm and high momentum hadrons in relativistic nucleus nucleus collisions
(2003)
We investigate hadron production and attenuation of hadrons with strange and charm quarks (or antiquarks) as well as high transverse momentum hadrons in relativistic nucleus-nucleus col- lisions from 2 A·GeV to 21.3 A·TeV within two independent transport approaches (UrQMD and HSD). Both transport models are based on quark, diquark, string and hadronic degrees of freedom, but do not include any explicit phase transition to a quark-gluon plasma. From our dynamical calculations we find that both models do not describe the maximum in the K+/ + ratio at 20 - 30 A·GeV in central Au+Au collisions found experimentally, though the excitation functions of strange mesons are reproduced well in HSD and UrQMD. Furthermore, the transport calculations show that the charmonium recreation by D + J/ + meson reactions is comparable to the dissociation by comoving mesons at RHIC energies contrary to SPS energies. This leads to the final result that the total J/ suppression as a function of centrality at RHIC should be less than the suppression seen at SPS energies where the comover dissociation is substantial and the backward channels play no role. Furthermore, our transport calculations in comparison to exper- imental data on transverse momentum spectra from pp, d+Au and Au+Au reactions show that pre-hadronic e ects are responsible for both the hardening of the hadron spectra for low transverse momenta (Cronin e ect) as well as the suppression of high pT hadrons. The mutual interactions of formed hadrons are found to be negligible in central Au+Au collisions at s = 200 GeV for pT e 6 GeV/c and the sizeable suppression seen experimentally is attributed to a large extent to the interactions of leading pre-hadrons with the dense environment.
Recent STAR data for the directed flow of protons, antiprotons and charged pions obtained within the beam energy scan program are analyzed within the Parton-Hadron-String-Dynamics (PHSD/HSD) transport models. Both versions of the kinetic approach are used to clarify the role of partonic degrees of freedom. The PHSD results, simulating a partonic phase and its coexistence with a hadronic one, are roughly consistent with the STAR data. Generally, the semi-qualitative agreement between the measured data and model results supports the idea of a crossover type of quark-hadron transition which softens the nuclear EoS but shows no indication of a first-order phase transition. Furthermore, the directed flow of kaons and antikaons is evaluated in the PHSD/HSD approachesfrom √sNN ≈ 3 - 200 GeV which shows a high sensitivity to hadronic potentials in the FAIR/NICA energy regime √sNN ≤ 8 GeV.
The thermodynamics of QCD with sufficiently heavy dynamical quarks can be described by a three-dimensional Polyakov loop effective theory, obtained after a truncated character and hopping expansion. We investigate the resulting phase diagram for low temperatures by mean field methods. Taking into account chemical potentials for both baryon number and isospin, we obtain clear signals for a liquid-gas type transition to baryon matter at μI=0 and a Bose-Einstein condensation transition at μB=0, as well as for their connection when both chemical potentials are non-zero.
Binary neutron star mergers represent unique observational phenomena because all four fundamental interactions play an important role at various stages of their evolution by leaving imprints in astronomical observables. This makes their accurate numerical modeling a challenging multiphysics problem that promises to increase our understanding of the high-energy astrophysics at play, thereby providing constraints for the underlying fundamental theories such as the gravitational interaction or the strong interaction of dense matter. For example, the first and so far only multi-messenger observation of the binary neutron star merger GW170817 resulted in numerous bounds on the parameters of isolated non-rotating neutron stars, e.g., their maximum mass or their distribution in radii, which can be directly used to constrain the equation of state of cold nuclear matter. While many of these results stem from the observation of the inspiral gravitational-wave signal, the postmerger phase of binary neutron star mergers encodes even more details about the extreme physics of hot and dense neutron star matter. In this Thesis we focus on the exploration of dissipative and shearing effects in binary neutron star mergers in order to identify novel approaches to constrain hot and dense neutron star matter.
The first effect is the well-motivated dissipation of energy due to the bulk viscosity which arises from violations of weak chemical equilibrium. We start by exploring the impact of bulk viscosity on black-hole accretion. This simplified problem gives us the opportunity to develop a test case for future codes taking into account the effects of dissipation in a fully general-relativistic setup and build intuition in the physics of relativistic dissipation. Next, we move on to isolated neutron stars and binary neutron star mergers by developing a robust implementation of bulk-viscous dissipation for numerical relativity simulations. We test our implementation by calculating the damping of eigenmodes of isolated neutron stars and the violent migration scenario. Finally, we present the first results on the impact of bulk viscosity on binary neutron star mergers. We identify a number of ways how bulk viscosity impacts the postmerger phase, out of which the suppression of gravitational-wave emission and dynamical mass ejection are the most notable ones.
In the last part of this Thesis we investigate how the shearing dynamics at the beginning of the merger affects the amplification of different initial magnetic-field topologies. We explore the hypothesis that magnetic fields which are located only in a small region near the stellar surface prior to merger lead to a weaker magnetic-field amplification. We show first evidence which confirms this hypothesis and discuss possible implications for constraining the physics of superconduction in cold neutron stars.
The SLC26 family of transporters maintains anion equilibria in all kingdoms of life. The family shares a 7 + 7 transmembrane segments inverted repeat architecture with the SLC4 and SLC23 families, but holds a regulatory STAS domain in addition. While the only experimental SLC26 structure is monomeric, SLC26 proteins form structural and functional dimers in the lipid membrane. Here we resolve the structure of an SLC26 dimer embedded in a lipid membrane and characterize its functional relevance by combining PELDOR distance measurements and biochemical studies with MD simulations and spin-label ensemble refinement. Our structural model reveals a unique interface different from the SLC4 and SLC23 families. The functionally relevant STAS domain exerts a stabilizing effect on regions central in this dimer. Characterization of heterodimers indicates that protomers in the dimer functionally interact. The combined structural and functional data define the framework for a mechanistic understanding of functional cooperativity in SLC26 dimers.
The SLC26 family of transporters maintains anion equilibria in all kingdoms of life. The family shares a 7 + 7 transmembrane segments inverted repeat architecture with the SLC4 and SLC23 families, but holds a regulatory STAS domain in addition. While the only experimental SLC26 structure is monomeric, SLC26 proteins form structural and functional dimers in the lipid membrane. Here we resolve the structure of an SLC26 dimer embedded in a lipid membrane and characterize its functional relevance by combining PELDOR/DEER distance measurements and biochemical studies with MD simulations and spin-label ensemble refinement. Our structural model reveals a unique interface different from the SLC4 and SLC23 families. The functionally relevant STAS domain is no prerequisite for dimerization. Characterization of heterodimers indicates that protomers in the dimer functionally interact. The combined structural and functional data define the framework for a mechanistic understanding of functional cooperativity in SLC26 dimers.
Charmonia with different transverse momentum pT usually comes from different mechanisms in the relativistic heavy ion collisions. This work tries to review the theoretical studies on quarkonium evolutions in the deconfined medium produced in p-Pb and Pb-Pb collisions. The charmonia with high pT are mainly from the initial hadronic collisions, and therefore sensitive to the initial energy density of the bulk medium. For those charmonia within 0.1 < pT < 5 GeV/c at the energies of Large Hadron Collisions (LHC), They are mainly produced by the recombination of charm and anti-charm quarks in the medium. In the extremely low pT ∼ 1/RA (RA is the nuclear radius), additional contribution from the coherent interactions between electromagnetic fields generated by one nucleus and the target nucleus plays a non-negligible role in the J/ψ production even in semi-central Pb-Pb collisions.
The experimental area 2 (EAR-2) at CERNs neutron time-of-flight facility (n_TOF), which is operational since 2014, is designed and built as a short-distance complement to the experimental area 1 (EAR-1). The Parallel Plate Avalanche Counter (PPAC) monitor experiment was performed to characterize the beam pro↓le and the shape of the neutron 'ux at EAR-2. The prompt γ-flash which is used for calibrating the time-of-flight at EAR-1 is not seen by PPAC at EAR-2, shedding light on the physical origin of this γ-flash.
With the increasing energies and intensities of heavy-ion accelerator facilities, the problem of an excessive activation of the accelerator components caused by beam losses becomes more and more important. Numerical experiments using Monte Carlo transport codes are performed in order to assess the levels of activation. The heavy-ion versions of the codes were released approximately a decade ago, therefore the verification is needed to be sure that they give reasonable results. Present work is focused on obtaining the experimental data on activation of the targets by heavy-ion beams. Several experiments were performed at GSI Helmholtzzentrum für Schwerionenforschung. The interaction of nitrogen, argon and uranium beams with aluminum targets, as well as interaction of nitrogen and argon beams with copper targets was studied. After the irradiation of the targets by different ion beams from the SIS18 synchrotron at GSI, the γ-spectroscopy analysis was done: the γ-spectra of the residual activity were measured, the radioactive nuclides were identified, their amount and depth distribution were detected. The obtained experimental results were compared with the results of the Monte Carlo simulations using FLUKA, MARS and SHIELD. The discrepancies and agreements between experiment and simulations are pointed out. The origin of discrepancies is discussed. Obtained results allow for a better verification of the Monte Carlo transport codes, and also provide information for their further development. The necessity of the activation studies for accelerator applications is discussed. The limits of applicability of the heavy-ion beam-loss criteria were studied using the FLUKA code. FLUKA-simulations were done to determine the most preferable from the radiation protection point of view materials for use in accelerator components.
Since the start of its operation in 2001, based on an idea of Prof. Carlo Rubbia [1], the neutron time of-flight facility of CERN, n_TOF, has become one of the most forefront neutron facilities in the world for wide-energy spectrum neutron cross section measurements. Thanks to the combination of excellent neutron energy resolution and high instantaneous neutron flux available in the two experimental areas, the second of which has been constructed in 2014, n_TOF is providing a wealth of new data on neutron-induced reactions of interest for nuclear astrophysics, advanced nuclear technologies and medical applications. The unique features of the facility will continue to be exploited in the future, to perform challenging new measurements addressing the still open issues and long-standing quests in the field of neutron physics. In this document the main characteristics of the n_TOF facility and their relevance for neutron studies in the different areas of research will be outlined, addressing the possible future contribution of n_TOF in the fields of nuclear astrophysics, nuclear technologies and medical applications. In addition, the future perspectives of the facility will be described including the upgrade of the spallation target, the setup of an imaging installation and the construction of a new irradiation area.
The CERN n_TOF neutron beam facility is characterized by a very high instantaneous neutron flux, excellent TOF resolution at the 185 m long flight path (EAR-1), low intrinsic background and coverage of a wide range of neutron energies, from thermal to a few GeV. These characteristics provide a unique possibility to perform high-accuracy measurements of neutron-induced reaction cross-sections and angular distributions of interest for fundamental and applied Nuclear Physics. Since 2001, the n_TOF Collaboration has collected a wealth of high quality nuclear data relevant for nuclear astrophysics, nuclear reactor technology, nuclear medicine, etc. The overall efficiency of the experimental program and the range of possible measurements has been expanded with the construction of a second experimental area (EAR-2), located 20 m on the vertical of the n_TOF spallation target. This upgrade, which benefits from a neutron flux 30 times higher than in EAR-1, provides a substantial extension in measurement capabilities, opening the possibility to collect data on neutron cross-section of isotopes with short half-lives or available in very small amounts. This contribution will outline the main characteristics of the n_TOF facility, with special emphasis on the new experimental area. In particular, we will discuss the innovative features of the EAR-2 neutron beam that make possible to perform very challenging measurements on short-lived radioisotopes or sub-mg samples, out of reach up to now at other neutron facilities around the world. Finally, the future perspectives of the facility will be presented.
ALICE (A Large Ion Collider Experiment) is preparing for a major upgrade of the detector, readout and computing systemsfor LHC Run 3. A new facility called O2 (Online-Offline) will play a major role in data compression and event processing. To efficiently operate the experiment, we are designing a monitoring subsystem, which will provide a complete overview of the O2 overall health, detect performance degradation and component failures. The monitoring subsystem will receive and collect up to 600 kHz of performance metrics. It consists of a custom monitoring library and a server-side, distributed software covering five main functional tasks: parameter collection and processing, storage, visualisation and alarms. To select the most appropriate tools for these tasks, we evaluated three options: “Modular Stack”, Zabbix and the currently used ALICE Grid monitoring tool called MonALISA. The former one consists of a toolkit including collectd, Apache Flume, Apache Spark, InfluxDB, Grafana and Riemann. This paper describes the monitoring subsystem functional architecture. It goes through a complete evaluation of the three considered options, the selection process, risk assessment and justification for the final decision. The in-depth comparison includes functional features and throughput measurement to ensure the required processing and storage performance.
The rich functionalities of transition-metal oxides and their interfaces bear an enormous technological potential. Its realization in practical devices requires, however, a significant improvement of yet relatively low electron mobility in oxide materials. Recently, a mobility boost of about 2 orders of magnitude has been demonstrated at the spinel–perovskite γ-Al2O3/SrTiO3 interface compared to the paradigm perovskite–perovskite LaAlO3/SrTiO3 interface. We explore the fundamental physics behind this phenomenon from direct measurements of the momentum-resolved electronic structure of this interface using resonant soft-X-ray angle-resolved photoemission. We find an anomaly in orbital ordering of the mobile electrons in γ-Al2O3/SrTiO3 which depopulates electron states in the top SrTiO3 layer. This rearrangement of the mobile electron system pushes the electron density away from the interface, which reduces its overlap with the interfacial defects and weakens the electron–phonon interaction, both effects contributing to the mobility boost. A crystal-field analysis shows that the band order alters owing to the symmetry breaking between the spinel γ-Al2O3 and perovskite SrTiO3. Band-order engineering, exploiting the fundamental symmetry properties, emerges as another route to boost the performance of oxide devices.
Rich functionalities of transition-metal oxides and their interfaces bear an enormous technological potential. Its realization in practical devices requires, however, a significant improvement of yet relatively low electron mobility in oxide materials. Recently, a mobility boost of about two orders of magnitude has been demonstrated at the spinel/perovskite {\gamma}-Al2O3/SrTiO3 interface compared to the paradigm perovskite/perovskite LaAlO3/SrTiO3. We explore the fundamental physics behind this phenomenon from direct measurements of the momentum-resolved electronic structure of this interface using resonant soft-X-ray angle-resolved photoemission. We find an anomaly in orbital ordering of the mobile electrons in {\gamma}-Al2O3/SrTiO3 which depopulates electron states in the top STO layer. This rearrangement of the mobile electron system pushes the electron density away from the interface that reduces its overlap with the interfacial defects and weakens the electron-phonon interaction, both effects contributing to the mobility boost. A crystal-field analysis shows that the band order alters owing to the symmetry breaking between the spinel {\gamma}-Al2O3 and perovskite SrTiO3. The band-order engineering exploiting the fundamental symmetry properties emerges as another route to boost the performance of oxide devices.
Im Rahmen des FAIR Projekts sollen in den Ringbeschleunigern SIS18 und SIS100 Ionenstrahlen mit höchster Intensität beschleunigt werden. Um die Raumladungsgrenze zu erhöhen, werden dazu Ionen mit mittleren Ladungszuständen verwendet. Diese haben aber größere Wirkungsquerschnitte für Umladung in Wechselwirkungen mit im Strahlvakuum vorhandenen Restgasteilchen als hochgeladene Ionen. Kommt es zu Strahlverlusten, lösen die verlorenen Ionen am Auftreffort weitere Restgasteilchen von den Wänden des Strahlrohrs und erhöhen so lokal die Restgasdichte. Die Qualität des Vakuums ist deshalb für einen stabilen Strahlbetrieb essentiell.
Im SIS100 kommen kryogene Vakuumkammern zum Einsatz, deren Wände als Kryosorptionspumpen für Wasserstoff und Helium dienen und alle schwereren Restgaskomponenten durch Kryokondensation binden können. Um die Vorhersagegenauigkeit des abteilungsinternen Programms „StrahlSim“ zur Simulation des dynamischen Vakuums zu verbessern, wurden im Rahmen dieser Arbeit das Saugvermögen und die Pumpkapazität für Wasserstoff auf einer Edelstahloberfläche untersucht.
Dazu wurde ein UHV Teststand entwickelt und aufgebaut. Dieser besteht aus einem warmen Diagnoseteil, mit dem der Gasfluss in und aus dem kalten Teil überwacht werden kann. Im kalten Teil befindet sich eine kleine Kammer mit Edelstahlwänden, für die verschiedene Temperaturen zwischen 7 und 31 K eingestellt werden können. Diese Kammer repräsentiert ein kleines Stück kryogenes Strahlrohr. Bei verschiedenen Temperaturen und Oberflächenbelegungen wurden dort jeweils das Saugvermögen und der sich einstellende Gleichgewichtsdruck im Bereich von 4E-11 bis 2E-7 mbar gemessen. Die Gleichgewichtsdrücke bei einer bestimmten Temperatur bei wachsender Oberflächenbelegung werden als Adsorptionsisotherme bezeichnet. Sie ergeben sich aus dem Gleichgewicht von thermisch desorbierenden Teilchen und deren Readsorption. Die kalte Kammer wird umgeben von einem Kryostaten, bestehend aus thermischem Schild und Außentank. Für diesen wurde die thermische Auslegung durchgeführt, die Konstruktion erfolgte extern.
Aus dem gemessenen Saugvermögen konnte die Haftwahrscheinlichkeit berechnet werden. Sie stellte sich als im Rahmen der Messgenauigkeit als unabhängig von Belegung und Temperatur heraus. Ihr Wert liegt nahe 1 mit einer Unsicherheit bis 0,1. Da sämtliche Oberflächen in den kryogenen Bereichen als Pumpen wirken, ist dieser Wert mehr als ausreichend um die für den stabilen Strahlbetrieb nötigen Vakuumbedingungen zu erreichen und stabil zu halten.
Die Isothermen hingegen sind stark von der Temperatur abhängig. Über 18 K liegen die Gleichgewichtsdrücke bereits bei minimalen Oberflächenbelegungen in für den Strahlbetrieb nicht tolerierbaren Bereichen. Mit sinkender Temperatur können die Oberflächen immer mehr Gas aufnehmen. Doch auch bei den tiefsten vermessenen Temperaturen zwischen 7 und 8 K ist ein stabiler Strahlbetrieb nur bei Belegungen von deutlich unter einer halben Monolage, etwa 5E14 Wasserstoffmoleküle pro cm², möglich.
Diese Ergebnisse wurden in StrahlSim implementiert. Zunächst wurde der Code für die Simulation von teilweise kryogenen Beschleunigern angepasst. Die wichtigste Änderung war die Einführung von thermischer Transpiration. Sie bewirkt, dass die Restgasteilchendichte an Kalt-Warm-Übergängen auf der kalten Seite erhöht ist. Mit dieser Änderung und den implementierten Ergebnissen aus den Messungen wurden Simulationen für das SIS100 durchgeführt. Mit den Isothermen konnten die bei verschiedenen Temperaturen und Bedeckungen zu erwartenden Durchschnittsdichten berechnet werden, die wiederum bestimmend für die Strahlverluste sind. Des Weiteren wurde ein mehrwöchiger Dauerbetrieb simuliert. Es zeigt sich zunächst eine Verschlechterung der Vakuumbedingungen auf Grund der langsamen Sättigung der Oberflächen. Diese verlangsamt sich aber immer mehr und stabilisiert sich bevor zu hohe Restgasdichten auftreten. Im schlechtesten Fall sind die kryogenen Oberflächen so weit gesättigt, dass sie genauso viele Gasteilchen thermisch desorbieren wie sie adsorbieren, sie also praktisch passiv sind. Auch dann wäre die Gleichgewichtsdichte im Beschleuniger noch tief genug, um Verluste durch Umladung hinreichend niedrig zu halten.
Als problematisch könnten sich hingegen dynamische Temperaturerhöhungen der Kammerwände erweisen. In diesem Fall stellt sich praktisch verzögerungsfrei der durch die neue Isotherme definierte Gleichgewichtsdruck ein, der auch bei wenigen Kelvin Temperaturunterschied bereits um mehrere Größenordnungen höher liegen kann. Sind Temperaturerhöhungen während des Betriebs zu erwarten, sollten die Oberflächen so frei wie möglich von Wasserstoff gehalten werden. Dazu kann man sich eben diesen Effekt zunutze machen: Durch temporäres Anwärmen der Oberflächen unmittelbar vor dem Strahlbetrieb können die Oberflächen schnell von Wasserstoff befreit werden, der dann von lokalisierten Pumpen aus dem System entfernt werden kann.
Im Zentrum dieser Arbeit steht die Diagnostik eines Wasserstoff-Theta-Pinch-Plasmas hinsichtlich der integrierten Elektronen- und Neutralgasdichte mittels Zweifarben Interferometrie. Die integrierte Elektronen- und Neutralgasdichte sind essenzielle Größen, aus welchen sich die Ratenkoeffizienten der Ionisation und Rekombination bei einer Plasma-Ionenstrahl-Wechselwirkung bestimmen lassen.
Ein Theta-Pinch-Plasma ist ein induktiv gezündetes Plasma, wobei das zur Zündung notwendige elektrische Feld durch ein magnetisches Wechselfeld generiert wird. Das induzierte, azimutale elektrische Feld beschleunigt freie Elektronen im Arbeitsgas, welches durch Stoßionisation in den Plasmazustand gebracht wird. Der azimutale Plasmastrom erzeugt einen radialen magnetischen Druckgradienten, der das Plasma komprimiert. Da in axialer Richtung keine Kompressionskraft wirkt, weicht das Plasma einer weiteren Kompression aus, wodurch es zu einer axialen Expansion des Plasmas kommt. Die Expansion erzeugt eine Ionisationswelle im kalten Restgas und es wird eine lange, hoch ionisierte Plasmasäule gebildet.
Dieser hochdynamische Prozess ist mit einem Mach-Zehnder-Interferometer bei der Verwendung von zwei verschiedenen Versionen des Theta-Pinchs zeitaufgelöst untersucht worden. Der Unterschied dieser Versionen liegt in der Geometrie und Induktivität der Spulen, wobei zum einen eine zylindrische und zum anderen eine sphärische Spule eingesetzt worden ist. Das grundlegende Messprinzip beruht darauf, dass das Plasma einen Brechungsindex besitzt, welcher von den Dichten der im Plasma enthaltenen Teilchenspezies abhängt. In einem Wasserstoffplasmas sind dies der Beitrag der freien Elektronen und der des Neutralgases, wodurch ein Zweifarben-Interferometer eingesetzt wird. Um eine von den Laserintensitäten unabhängige Messung zu ermöglichen, wird das heterodyne Verfahren benutzt, bei dem die Referenzstrahlen beider Wellenlängen jeweils mit einem akusto-optischen Modulator frequenzverschoben werden. Durch einen Vergleich mit einem stationären Referenzsignal mittels eines I/Q-Demodulators wird die interferometrische Phasenverschiebung aus dem Messsignal extrahiert.
Mit diesem diagnostischen Verfahren ist die integrierte Elektronen- und Neutralgasdichte des Theta-Pinch-Plasmas bei Variation des Arbeitsdrucks und der Ladespannung der Kondensatorbank untersucht worden. Mit der zylindrischen Experimentversion ist eine optimale Kombination aus integrierter Elektronendichte und effektivem Ionisationsgrad η von (1,45 ± 0,04) · 1018 cm−2 bei η = (0,826 ± 0,022) bei einem Arbeitsdruck von 20 Pa und einer Ladespannung von 16 kV ermittelt worden. Dagegen beträgt die optimale Kombination bei einem Arbeitsdruck von 20 Pa und einer Ladespannung von 18 kV bei Verwendung der sphärischen Experimentversion lediglich (1,23 ± 0,03) · 1018 cm−2 bei η = (0,699 ± 0,019).
Des Weiteren ist bei beiden Experimentversionen nachgewiesen worden, dass die integrierte Elektronendichte dem oszillierenden Strom folgend periodische lokale Maxima zeigt, welche zeitlich mit signifikanten Einbrüchen in der integrierten Neutralgasdichte zusammenfallen. Diese Einbrüche werden durch die axiale Expansion des Plasmas und der damit verbundenen Ionisationswelle im Restgas erzeugt. Neben diesem zentralen Teil dieser Arbeit ist eine lasergestützte polarimetrische Diagnostik durchgeführt worden, mit der die longitudinale Komponente der magnetischen Flussdichte der Theta-Pinch-Spulen zeit- und ortsaufgelöst bestimmt worden ist. Als Messprinzip ist der Faraday-Effekt eines magneto-optischen TGGKristalls verwendet worden.
Vor der polarimetrischen Diagnostik ist der TGG-Kristall bezüglich seiner Verdet- Konstante kalibriert worden, wobei ein Wert von V = (−149,7 ± 6,4) rad/Tm gemessen worden ist. Die ortsaufgelöste polarimetrische Diagnostik ist durch einen Seilzug ermöglicht worden, mit dem der TGG-Kristall auf einem Schlitten an unterschiedliche Positionen entlang der Spulenachse gefahren werden konnte. An den jeweiligen Messpunkten ist für beide Experimentversionen die magnetische Flussdichte für verschiedene Ladespannungen zeitaufgelöst bestimmt worden. Als Messverfahren ist dabei das Δ/Σ-Verfahren eingesetzt worden, mit dem sich eine intensitätsunabhängige Messung erzielen ließ.
Die ortsaufgelösten Messergebnisse fallen gegenüber Simulationen allerdings zu niedrig aus. Bei der zylindrischen Spule betragen die Abweichungen im Spulenzentrum circa 14 - 16% und bei der sphärischen Spule in etwa 16 - 18%. Bei einer Normierung der Messwerte und der simulierten Werte auf den jeweiligen Wert im Zentrum ist dagegen innerhalb der Fehler eine völlige Übereinstimmung zwischen den Messwerten und der Simulation für die zylindrische Spule erzielt worden. Als Ursache der negativen Abweichungen wird die Hysterese des TGG-Kristalls diskutiert. Es zeigt sich insbesondere zu Beginn der Entladung eine zeitliche Verzögerung der gemessenen magnetischen Flussdichte gegenüber dem Strom, die in der Umgebung des Stromnulldurchgangs besonders stark ausgeprägt ist.
Neutron stars are unique laboratories for the investigation of the high density properties of bulk matter. In this work, the astrophysical constraints for a phase transition from hadronic matter to deconfined quark matter are examined thoroughly. A scheme for relating known astrophysical observables such as mass, radius and tidal deformability to the parameter space of such a transition is devised and applied to the set of data currently available.
In order to span a wide parameter space, a highly parameterizable relativistic mean field equation in compliance with chiral effective field theory results is used, where the stiffness of the equation of state can be varied via the effective mass at saturation density. The phase transitions are modelled using a Maxwell construction and assumed to be of first order, with a constant speed of sound quark matter model. The resulting equations of state are analyzed and divided into four categories, which can be used to constrain the parameter space that allows phase transition. It is highlighted, that a subset of this parameter space would even be detectable without the need of higher precision measurements. A phase transition at high densities is shown to be particularly promising in this regard. Finally, the groundwork is laid to apply the equation of state used in this work for supernova or merger simulations, by extending it to non-zero temperatures.
Geometrical frustration among interacting spins combined with strong quantum fluctuations destabilize long-range magnetic order in favor of more exotic states such as spin liquids. By following this guiding principle, a number of spin liquid candidate systems were identified in quasi-two-dimensional (quasi-2D) systems. For 3D, however, the situation is less favorable as quantum fluctuations are reduced and competing states become more relevant. Here we report a comprehensive study of thermodynamic, magnetic and dielectric properties on single crystalline and pressed-powder samples of PbCuTe2O6, a candidate material for a 3D frustrated quantum spin liquid featuring a hyperkagome lattice. Whereas the low-temperature properties of the powder samples are consistent with the recently proposed quantum spin liquid state, an even more exotic behavior is revealed for the single crystals. These crystals show ferroelectric order at TFE ≈ 1 K, accompanied by strong lattice distortions, and a modified magnetic response—still consistent with a quantum spin liquid—but with clear indications for quantum critical behavior.
In dieser Arbeit wurde der Entwurf eines Rebunchers für die Ionenstrahltherapieanlage MedAustron mit Hilfe des Simulationsprogramms Microwave Studio entwickelt. Es wurde ein neues Design in Anlehnung an einen Spiralresonator gewählt, wobei der Spiralarm aus einem wassergekühlten induktiven Teil und einem aus massivem Kupfer gefertigten kapazitiven Teil besteht.
Die Frequenz der ersten Eigenmode liegt zwischen 217,8 MHz (ohne Keramik) und 217,3 MHz (mit Keramik). In der Realität könnte die Frequenz von diesem Wert etwas abweichen (bis zu 0,5 MHz), da einerseits Details wie Ein- und Auskopplung und andererseits reale Effekte wie Oberflächenverunreinigung oder kleinste Abweichungen in der Geometrie in Microwave Studio nicht berücksichtigt werden können. Außerdem wird die Genauigkeit der Simulationen durch die Anzahl Gitterpunkte limitiert. Um diese Eekte kompensieren zu können, wurden die Auswirkungen eines Tuners auf die Frequenz untersucht. Hierbei ergab sich für eine Tunerhöhe von 40 mm eine Frequenzveränderung von 220 kHz, bei 70 mm sind es schon 1,224 MHz.
Da sich bei dieser Frequenz und Geometrie ein Laufzeitfaktor von nur 0,66 auf der Strahlachse ergibt und die Spannung dort zusätzlich um den Faktor 0,983 niedriger ist als am Spaltrand, muss bei einer effektiven Shuntimpedanz von 13,4 M Ω/m eine Leistung von 2,46 kW aufgebracht werden. Nähere Untersuchungen der elektrischen Felder fürten zu dem Ergebnis, dass der Grund für den niedrigen Laufzeitfaktor dynamische Eekte sein müssen. Die "statischen Felder" verhalten sich wie erwartet.
Aber auch die reale Shuntimpedanz und somit auch die reale Verlustleistung können beträchtlich von den berechneten Werten abweichen. Es wird erwartet, dass die Shuntimpedanz im ungünstigsten Fall nur 60% der simulierten Impedanz beträgt, weswegen man mit einer Verlustleistung von 4,09 KW rechnen muss.
Der Rebuncher soll zusammen mit der Beschleunigeranlage in Österreich im Jahr 2013 in Betrieb gehen, aber bereits in 2012 zu Strahlexperimenten am CERN zur Verfügung stehen.
Nach dem einführenden Theorieteil werden in den darauffolgenden Kapiteln zuerst die Auslegung und die Vermessung der drei Tripletts an der GSI in Darmstadt beschrieben und dann versucht mit Hilfe von LORASR einen Akzeptanzrahmen der MEBT-Sektion (Medium Energy Beam Transport) für ein Teilchenpaket anzugeben. Anschließend werden die Ergebnisse aus Feldvermessung und CST EM STUDIO Feldsimulationen verglichen. Damit soll die Frage, inwieweit es mit Particle Tracking Simulationen, in denen mit in CST EM STUDIO simulierten und anschließend in BENDER importierten Feldern gearbeitet wird, möglich ist, zutreffende Aussagen zu machen, beantwortet werden. Im letzten Kapitel werden wiederum die Ergebnisse dieser Simulationen präsentiert und ihre Bedeutung, im Vergleich mit den erweiterten Untersuchungen der Transporteigenschaften durch verschiedene aus überlagerten Multipolfeldern generierten Magnetfelder, eingeordnet. Abschließend wird nochmals ein Fazit zur Aussagekraft der Ergebnisse und der Folgen für den Strahltransport gezogen und ein Ausblick auf die noch ausstehenden Schritte und weitere experimentelle Analyseoptionen gegeben.
The crossbar H-mode (CH) cavity is an accelerating structure operated in the H21(0) mode. The robustness of the crossbar geometry allows one to realize room temperature as well as superconducting linac cavities. The shunt impedance characteristics of this structure are attractive to develop proton and heavy ion linacs in the low and medium beta range. A first room temperature eight-cell prototype has proven the feasibility of the crossbar design in terms of mechanical construction, copper plating, and cooling. An innovative rf coupling concept has been developed where two CH cavities are connected by a two gap E010-mode resonator which, at the same time, provides transverse focusing by a quadrupole triplet. The concept has been applied in the design of the new FAIR proton linac and a scaled model of the second cavity of this injector has been built and tested too. The full scale prototype is now under construction at the University of Frankfurt. In this paper, the room temperature CH cavity development as well as the general layout of the FAIR proton injector (70 MeV, 325 MHz, 70 mA) is presented and discussed.
A full session was organized in memory of Helmut Oeschler during the 2017 edition of the Strangeness in Quark Matter Conference. It was heart-warming to discuss with the audience his main achievements and share anecdotes about this exceptionally praised and appreciated colleague, who was also a great friend for many at the conference. A brief summary of the session is provided with these proceedings.
The structure and flexibility of RNA depends sensitively on the microenvironment. Using pulsed electron-electron double-resonance (PELDOR)/double electron-electron resonance (DEER) spectroscopy combined with advanced labeling techniques, we show that the structure of double-stranded RNA (dsRNA) changes upon internalization into Xenopus lævis oocytes. Compared to dilute solution, the dsRNA A-helix is more compact in cells. We recapitulate this compaction in a densely crowded protein solution. Atomic-resolution molecular dynamics simulations of dsRNA semi-quantitatively capture the compaction, and identify non-specific electrostatic interactions between proteins and dsRNA as a possible driver of this effect.
An important experimental program on Nuclear Astrophysics is being carried out at the n_TOF since several years, in order to address the still open issues in stellar and primordial nucleosynthesis. Several neutron capture reactions relevant to s-process nucleosynthesis have been measured so far, some of which on important branching point radioisotopes. Furthermore, the construction of a second experimental area has recently opened the way to challenging measurements of (n, charged particle) reactions on isotopes of short half-life. The Nuclear Astrophysics program of the n_TOF Collaboration is here described, with emphasis on recent results relevant for stellar nucleosynthesis, stellar neutron sources and primordial nucleosynthesis.
We investigate the modification of the pion self-energy at finite temperature due to its interaction with a low-density, isospin-symmetric nuclear medium embedded in a constant magnetic background. To one loop, for fixed temperature and density, we find that the pion effective mass increases with the magnetic field. For the π−, interestingly, this happens solely due to the trivial Landau quantization shift ∼|eB|, since the real part of the self-energy is negative in this case. In a scenario in which other charged particle species are present and undergo an analogous trivial shift, the relevant behavior of the effective mass might be determined essentially by the real part of the self-energy. In this case, we find that the pion mass decreases by ∼10% for a magnetic field |eB|∼mπ2, which favors pion condensation at high density and low temperatures.
The development of the designs of the superconducting CH cavities of the HELIAC project from CH0 [27] to CH1 and CH2 [1] has undergone permanent improvements and adaptations based on the learned experiences of each previous cavity. For example, the design of CH1 and CH2 focused on mechanical stabilization and optimization of performance by minimizing peak electric and magnetic fields. As a result, the changes made there were already able to increase stability and performance compared to CH0 by simplifying the design in different ways. The process of designing both cavities was time reasonable, since they are identical in construction and thus only one design had to be developed. However, for both the development and manufacturing of an entire accelerator of individual CH cavities, this type of design would become too time consuming and costly. In order to reduce this time-consuming design process and accelerate the fabrication of superconducting CH cavities, and also reduce costs, a modular cavity design for mass production of superconducting CH cavities was developed as presented in this thesis. In the following section, the conclusions gained in this work and the results already presented will be summarized once again.
So in the first chapters of this thesis the theoretical foundations were laid, which are necessary for the description of superconducting cavities and for their development process, like a theoretical description of superconductivity itself (see chapter 2), the physical basics of RF-acceleration and of the CH cavity (see chapter 3), but also the effects that limit the superconducting cavities in terms of acceleration (see chapter 4) or the properties and laws from structural mechanics needed in later measurements and simulation (see chapter 5). Based on the theoretical foundations given in these sections, all measurements, evaluations and simulations made in the following sections were made.
The ALICE Zero Degree Calorimeter system (ZDC) is composed of two identical sets of calorimeters, placed at opposite sides with respect to the interaction point, 114 meters away from it, complemented by two small forward electromagnetic calorimeters (ZEM). Each set of detectors consists of a neutron (ZN) and a proton (ZP) ZDC. They are placed at zero degrees with respect to the LHC axis and allow to detect particles emitted close to beam direction, in particular neutrons and protons emerging from hadronic heavy-ion collisions (spectator nucleons) and those emitted from electromagnetic processes. For neutrons emitted by these two processes, the ZN calorimeters have nearly 100% acceptance.
During the √sNN = 2.76 TeV Pb-Pb data-taking, the ALICE Collaboration studied forward neutron emission with a dedicated trigger, requiring a minimum energy deposition in at least one of the two ZN. By exploiting also the information of the two ZEM calorimeters it has been possible to separate the contributions of electromagnetic and hadronic processes and to study single neutron vs. multiple neutron emission.
The measured cross sections of single and mutual electromagnetic dissociation of Pb nuclei at √sNN = 2.76 TeV, with neutron emission, are σsingle EMD = 187:4 ± 0.2 (stat.)−11.2+13.2 (syst.) b and σmutual EMD = 5.7 ± 0.1 (stat.) ±0.4 (syst.) b, respectively [1]. This is the first measurement of electromagnetic dissociation of 208Pb nuclei at the LHC energies, allowing a test of electromagnetic dissociation theory in a new energy regime. The experimental results are compared to the predictions from a relativistic electromagnetic dissociation model.
Controlling and understanding electron correlations in quantum matter is one of the most challenging tasks in materials engineering. In the past years a plethora of new puzzling correlated states have been found by carefully stacking and twisting two-dimensional van der Waals materials of different kind. Unique to these stacked structures is the emergence of correlated phases not foreseeable from the single layers alone. In Ta-dichalcogenide heterostructures made of a good metallic “1H”- and a Mott insulating “1T”-layer, recent reports have evidenced a cross-breed itinerant and localized nature of the electronic excitations, similar to what is typically found in heavy fermion systems. Here, we put forward a new interpretation based on first-principles calculations which indicates a sizeable charge transfer of electrons (0.4-0.6 e) from 1T to 1H layers at an elevated interlayer distance. We accurately quantify the strength of the interlayer hybridization which allows us to unambiguously determine that the system is much closer to a doped Mott insulator than to a heavy fermion scenario. Ta-based heterolayers provide therefore a new ground for quantum-materials engineering in the regime of heavily doped Mott insulators hybridized with metallic states at a van der Waals distance.
Although iron-based catalysts are regarded as a promising alternative to precious metal catalysts, their precise electronic structures during catalysis still pose challenges for computational descriptions. A particularly urgent question is the influence of the environment on the electronic structure, and how to describe this properly with computational methods. Here, we study an iron porphyrin chloride complex adsorbed on a graphene sheet using density functional theory calculations to detail how much the electronic structure is influenced by the presence of a graphene layer. Our results indicate that weak interactions due to van der Waals forces dominate between the porphyrin complex and graphene, and only a small amount of charge is transferred between the two entities. Furthermore, the interplay of the ligand field environment, strong p − d hybridization, and correlation effects within the complex are strongly involved in determining the spin state of the iron ion. By bridging molecular chemistry and solid state physics, this study provides first steps towards a joint analysis of the properties of iron-based catalysts from first principles.
Cryo-electron tomography (CryoET) resolves individual macromolecules inside living cells. However, the complex composition and high density of cells challenge the faithful identification of features in tomograms. Here, we capitalize on recent advances in electron tomography and demonstrate that 3D template matching (TM) localizes a wide range of structures inside crowded eukaryotic cells with confidence 10 to 100-fold above the noise level. We establish a TM pipeline with systematically tuned parameters for automated, objective and comprehensive feature identification. High-fidelity and high-confidence localizations of nuclear pore complexes, vaults, ribosomes, proteasomes, lipid membranes and microtubules, and individual subunits, demonstrate that TM is generic. We resolve ~100-kDa proteins, connect the functional states of complexes to their cellular localization, and capture vaults carrying ribosomal cargo in situ. By capturing individual molecular events inside living cells with defined statistical confidence, high-confidence TM greatly speeds up the CryoET workflow and sets the stage for visual proteomics.
In this work a nonlinear evolution of pure states of a finite dimensional quantum system is introduced, in particular a Riccati evolution equation.
It is shown how this class of dynamics is actually a Hamiltonian dynamics in the complex projective space.
In this projective space it is shown that there is a nonlinear superposition rule, consistent with its linear counterpart in the Hilbert space. As an example, the developed nonlinear formalism is applied to the semiclassical Jaynes–Cummings model.
Later, it is shown that there is an inherent nonlinear evolution in the dynamics of the so-called generalized coherent states.
To show this, the fact that in quantum mechanics it is possible to immerse a ''classical'' manifold into the Hilbert space is employed, such that one may parametrize the time-dependence of the wave function through the variation of parameters in the classical manifold.
The immersion allows to consider the so-called principle of analogy, i.e. using the procedures and structures available from the classical setting to employ them in the quantum setting.
Finally, it is introduced the contact Hamiltonian mechanics, an extension of symplectic Hamiltonian mechanics, and it is showed that it is a natural candidate for a geometric description of non-dissipative and dissipative systems.
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.
Two-particle correlation data are presented for the reaction Ar (800 MeV/ nucleon) + Pb. The experimental results are analyzed in the nuclear fluid dynamical and in a linear cascade model. We demonstrate that the collective hydrodynamical correlations dominate the measured two-particle correlation function for the heavy system studied. We discuss the transition from the early stages of the reaction which are governed by few nucleon correlations, to the later stages with their macroscopic flow which can only be reached using heavy colliding systems. The sensitivity of the correlation data on the underlying compressional dissipative processes is analyzed.
The final states of central Ca + Ca and Nb + Nb collisions at 400 and 1050 MeV/nucleon and at 400 and 650 MeV/nucleon, respectively, are studied with two independently developed statistical models, namely the classical microcanonical model and the quantum-statistical grand canonical model. It is shown that these models are in agreement with each other for these systems. Furthermore, it is demonstrated that there is essentially a one-to-one relationship between the observed relative abundances of the light fragments p, d, t, 3He, and α and the entropy per nucleon, for breakup temperatures greater than 30 MeV. Entropy values of 3.5–4 are deduced from high-multiplicity selected fragment yield data.
The nucleons taking part in heavy ion reaction are considered as a three-component fluid. The first and second components correspond to the nucleons of the target and the projectile, while the thermalized nucleons produced in the course of the collision belong to the third component. Making use of the Boltzmann equation, hydrodynamical equations are derived. An equation of state for anisotropic nuclear matter obtained from a field theoretical model in mean field approximation is applied in a one dimensional version of the three-component fluid model. The speed of thermalization is analyzed and compared to the results of cascade and kinetic models. NUCLEAR REACTIONS Relativistic heavy-ion reactions, hydrodynamic description.