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In this thesis, we study some features of the quantum chromodynamics (QCD) phase diagram at purely imaginary chemical potential using lattice techniques. This is one of the possible methodologies to get insights about the situation at finite density, where the sign problem prevents direct investigations from first principles.
We focus, in particular, on the Roberge-Weiss plane, where the phase structure with two degenerate flavours is studied both in the light and in the heavy quark mass limit. On the lattice, any result is affected by cut-off effects and so are the positions of the two tricritical points m_{tric}^{1,2} separating the second-order intermediate mass region from the first-order triple light and heavy mass regions. Therefore, changing the lattice spacing 'a', the values of m_{tric}^1 and m_{tric}^2 will change. In order to find their position in the continuum limit – i.e. for 'a' going to 0 – they have to be located on finer and finer lattices. Typically, in lattice QCD (LQCD) simulations, the temperature T is tuned through the bare coupling β, on which 'a' depends, while keeping Nt fixed. Hence, it is common to implicitly refer to how fine the lattice is just mentioning its temporal extent.
Using both Wilson and staggered fermions, we simulate Nf=2 QCD on Nt=6 lattices, varying the quark bare mass from the chiral (m_{u,d} going to 0) to the quenched (m_{u,d} going to infinity) limit. For each quark mass, a thorough finite scaling analysis is carried out, taking advantage of two different but consistent methods. In this way we identify the order of the phase transition locating, then, the position of the tricritical points. In order to convert our measurements to physical units we fix the scale measuring the lattice spacing as well as the pion mass corresponding to the quark bare mass used. This allows a comparison between different discretisation, getting a first idea of how serious are cut-off effects.
To be able to make a comparison between two different discretisations, we added an RHMC algorithm with staggered fermions to the CL2QCD software, a GPU code based on OpenCL, which we released in 2014. A considerable part of our work has been invested in ameliorating and optimising CL2QCD, as well as in developing new analysis tools regularly used next to it. Just to mention one, the multiple histogram method has been implemented in a completely general way and we took advantage of it in order to obtain more precise results. Finally, in order to efficiently handle and monitor the hundreds of simulations that are typically concurrently run in finite temperature LQCD, a completely new Bash library of tools has been developed. We plan to release it as a byproduct of CL2QCD in the near future.
We report on the status of ongoing investigations aiming at locating the deconfinement critical point with standard Wilson fermions and Nf = 2 flavors towards the continuum limit (standard Columbia plot); locating the tricritical masses at imaginary chemical potential with unimproved staggered fermions at Nf = 2 (extended Columbia plot); identifying the order of the chiral phase transition at μ = 0 for Nf = 2 via extrapolation from non integer Nf (alternative Columbia plot).
Attempts to extract the order of the chiral transition of QCD at zero chemical potential, with two dynamical flavors of massless quarks, from simulations with progressively decreasing pion mass, have remained inconclusive because of their increasing numerical cost. In an alternative approach to this problem, we consider the path integral as a function of continuous number Nf of degenerate quarks. If the transition in the chiral limit is first order for Nf≥3, a second-order transition for Nf=2 then requires a tricritical point in between. This, in turn, implies tricritical scaling of the critical boundary line between the first-order and crossover regions as the chiral limit is approached. Noninteger numbers of fermion flavors are easily implemented within the staggered fermion discretization. Exploratory simulations at μ=0 and Nf=2.8, 2.6, 2.4, 2.2, 2.1, on coarse Nτ=4 lattices, indeed show a smooth variation of the critical mass mapping out a critical line in the (m, Nf) plane. For the smallest masses, the line appears consistent with tricritical scaling, allowing for an extrapolation to the chiral limit.
Quenched QCD at zero baryonic chemical potential undergoes a first-order deconfinement phase transition at a critical temperature Tc, which is related to the spontaneous breaking of the global center symmetry. Including heavy, dynamical quarks breaks the center symmetry explicitly and weakens the first-order phase transition. For decreasing quark masses the first-order phase transition turns into a smooth crossover at a Z2-critical point. The critical quark mass corresponding to this point has been examined with Nf=2 Wilson fermions for several Nτ in a recent study within our group. For comparison, we also locate the critical point with Nf=2 staggered fermions on Nτ=8 lattices. For this purpose we perform Monte Carlo simulations for several quark mass values and various aspect ratios in order to extrapolate to the thermodynamic limit. The critical mass is obtained by fitting to a finite size scaling formula of the kurtosis of the Polyakov loop. Our results indicate large discretization effects, requiring simulations on lattices with Nτ>8.
The nature of the QCD chiral phase transition in the limit of vanishing quark masses has remained elusive for a long time, since it cannot be simulated directly on the lattice and is strongly cutoff-dependent. We report on a comprehensive ongoing study using unimproved staggered fermions with Nf ∈ [2, 8] mass-degenerate flavours on Nτ ∈ {4, 6, 8} lattices, in which we locate the chiral critical surface separating regions with first-order transitions from crossover regions in the bare parameter space of the lattice theory. Employing the fact that it terminates in a tricritical line, this surface can be extrapolated to the chiral limit using tricritical scaling with known exponents. Knowing the order of the transitions in the lattice parameter space, conclusions for approaching the continuum chiral limit in the proper order can be drawn. While a narrow first-order region cannot be ruled out, we find initial evidence consistent with a second-order chiral transition in all massless theories with Nf ≤ 6, and possibly up to the onset of the conformal window at 9 ≲ N∗f ≲ 12. A reanalysis of already published O(a)-improved Nf = 3 Wilson data on Nτ ∈ [4, 12] is also consistent with tricritical scaling, and the associated change from first to second-order on the way to the continuum chiral limit. We discuss a modified Columbia plot and a phase diagram for many-flavour QCD that reflect these possible features.
The order of the chiral phase transition of lattice QCD with unimproved staggered fermions is known to depend on the number of quark flavours, their masses and the lattice spacing. Previous studies in the literature for Nf∈{3,4} show first-order transitions, which weaken with decreasing lattice spacing. Here we investigate what happens when lattices are made coarser to establish contact to the strong coupling region. For Nf∈{4,8} we find a drastic weakening of the transition when going from Nτ=4 to Nτ=2, which is consistent with a second-order chiral transition reported in the literature for Nf=4 in the strong coupling limit. This implies a non-monotonic behaviour of the critical quark or pseudo-scalar meson mass, which separates first-order transitions from crossover behaviour, as a function of lattice spacing.
The SU(3) pure gauge theory exhibits a first-order thermal deconfinement transition due to spontaneous breaking of its global Z3 center symmetry. When heavy dynamical quarks are added, this symmetry is broken explicitly and the transition weakens with decreasing quark mass until it disappears at a critical point. We compute the critical hopping parameter and the associated pion mass for lattice QCD with Nf=2 degenerate standard Wilson fermions on Nτ∈{6,8,10} lattices, corresponding to lattice spacings a=0.12 fm, a=0.09 fm, a=0.07 fm, respectively. Significant cutoff effects are observed, with the first-order region growing as the lattice gets finer. While current lattices are still too coarse for a continuum extrapolation, we estimate mcπ≈4 GeV with a remaining systematic error of ∼20%. Our results allow us to assess the accuracy of the leading-order and next-to-leading-order hopping expanded fermion determinant used in the literature for various purposes. We also provide a detailed investigation of the statistics required for this type of calculation, which is useful for similar investigations of the chiral transition.