相关论文: Thermodynamic modeling of the LiCl-KCl-LaCl$_3$ sy…
The design of efficient electrolysis devices for pure metal production requires accurate data on the properties of the melts used in the process. This work focuses on two key systems for calcium production: the molten Ca-Cu alloy and the…
The current understanding of finite temperature phase transitions in QCD is reviewed. A critical discussion of refined phase transition criteria in numerical lattice simulations and of analytical tools going beyond the mean-field level in…
Several thermodynamic properties of ice Ih, II, and III are studied by a quasi-harmonic approximation and compared to results of quantum path integral and classical simulations. This approximation allows to obtain thermodynamic information…
The Polyakov-quark-meson (PQM) model, which combines chiral as well as deconfinement aspects of strongly interacting matter is introduced for three light quark flavors. An analysis of the chiral and deconfinement phase transition of the…
The quasi-chemical organization of the potential distribution theorem -- molecular quasi-chemical theory (QCT) -- enables practical calculations and also provides a conceptual framework for molecular hydration phenomena. QCT can be viewed…
We propose a novel quasiparticle interpretation of the equation of state of deconfined QCD at finite temperature. Using appropriate thermal masses, we introduce a phenomenological parametrization of the onset of confinement in the vicinity…
Due to extreme chemical, thermal, and radiation environments, existing molten salt property databases lack the necessary experimental thermal properties of reactor-relevant salt compositions. Meanwhile, simulating these properties directly…
Molten salts are important in a number of energy applications, but the fundamental mechanisms operating in ionic liquids are poorly understood, particularly at higher temperatures. This is despite their candidacy for deployment in solar…
In this talk we extend the Polyakov-quark-meson model to N_f=2+1 quark flavors and study its bulk thermodynamics at finite temperatures in mean-field approximation. Three different Polyakov-loop potentials are considered. Our findings are…
QCD at finite temperature and density is becoming increasingly important for various experimental programmes, ranging from heavy ion physics to astro-particle physics. The non-perturbative nature of non-abelian quantum field theories at…
A statistical thermodynamic development is given of a new implicit solvent model that avoids the traditional system size limitations of computer simulation of macromolecular solutions with periodic boundary conditions. This implicit solvent…
Highly concentrated aqueous lithium chloride solutions were investigated by classical molecular dynamics (MD) and reverse Monte Carlo (RMC) simulations. At first MD calculations were carried out applying twenty-nine combinations of…
High-throughput ab-initio calculations, cluster expansion techniques and thermodynamic modeling have been synergistically combined to characterize the binodal and the spinodal decompositions features in the pseudo-binary lead chalcogenides…
Based on the quasi-particle description of the QCD medium at finite temperature and density we formulate the phenomenological model for the equation of state that exhibits crossover or the first order deconfinement phase transition. The…
The ultimate aim of high energy heavy ion collisions is to study quark deconfinement and the quark-gluon plasma predicted by quantum chromodynamics. This requires the identification of observables calculable in QCD and measurable in heavy…
High energy heavy-ion collisions in laboratory produce a form of matter that can test Quantum Chromodynamics (QCD), the theory of strong interactions, at high temperatures. One of the exciting possibilities is the existence of…
The thermodynamic behavior of QCD matter at high temperature is currently studied by lattice QCD theory. The main features are the fast rise of the energy density $\epsilon$ around the critical temperature $T_c$ and the large trace anomaly…
The co-annihilation rate of heavy particles close to thermal equilibrium, which plays a role in many classic dark matter scenarios, can be "simulated" in QCD by considering the pair annihilation rate of a heavy quark and antiquark at a…
Atomistic simulations provide a meaningful way to determine the physico-chemical properties of liquids in a consistent theoretical framework. This approach takes on particular usefulness for the study of molten carbonates, in a context…
We report here on a recent lattice study of the QCD transition region at finite temperature and zero chemical potential using domain wall fermions (DWF). We also present a parameterization of the QCD equation of state obtained from lattice…