相关论文: Thermodynamic modeling of the LiCl-KCl-LaCl$_3$ sy…
The lattice thermal conductivity ($\kappa_{\rm L} $) is a critical property of thermoelectrics, thermal barrier coating materials and semiconductors. While accurate empirical measurements of $\kappa_{\rm L} $ are extremely challenging, it…
Lattice QCD allows us to simulate QCD at non-zero temperature and/or densities. Such equilibrium thermodynamics calculations are relevant to the physics of relativistic heavy-ion collisions. I give a brief review of the field with emphasis…
Predictive models of thermodynamic properties of mixtures are paramount in chemical engineering and chemistry. Classical thermodynamic models are successful in generalizing over (continuous) conditions like temperature and concentration. On…
We first assemble a full set of the Boltzmann Equation in Diffusion Approximation (BEDA) for studying thermalization/hydrodynamization and quark production in out of equilibrium systems. We then discuss thermalization and the production of…
Monte Carlo simulations are presented for a coarse-grained model of real quadrupolar fluids. Molecules are represented by particles interacting with Lennard-Jones forces plus the thermally averaged quadrupole-quadrupole interaction. The…
The thermodynamic properties of high temperature and high density QCD-matter are studied using the Chiral SU(3)-flavor parity-doublet Polyakov-loop quark-hadron mean-field model, CMF. The CMF model provides a proper description of lattice…
Temperature estimation of interacting quantum many-body systems is both a challenging task and topic of interest in quantum metrology, given that critical behavior at phase transitions can boost the metrological sensitivity. Here we study…
The grand partition function of a model of confined quarks is exactly calculated at arbitrary temperatures and quark chemical potentials. The model is inspired by a softly BRST-broken version of QCD and possesses a quark mass function…
Lattice models are crucial for studying thermodynamic properties in many physical, biological and chemical systems. We investigate Lattice Restricted Primitive Model (LRPM) of electrolytes with different discretization parameters in order…
Despite being a fundamental tool in soft matter research, quartz crystal microbalance (QCM) analyses of discrete macromolecules in liquid so far lack a firm theoretical basis. Currently, acoustic signals are qualitatively interpreted using…
We construct an equation of state for Quantum Chromodynamics (QCD) at finite temperature and chemical potentials for baryon number $B$, electric charge $Q$ and strangeness $S$. We use the Taylor expansion method, up to the fourth power for…
We present a numerically efficient density-matrix model applicable to midinfrared quantum cascade lasers. The model is based on a Markovian master equation for the density matrix that includes in-plane dynamics, preserves positivity of the…
We consider the problem of estimating a temperature-dependent thermal conductivity model (curve) from temperature measurements. We apply a Bayesian estimation approach that takes into account measurement errors and limited prior information…
We compare recent lattice studies of QCD thermodynamics at non-zero quark chemical potential with the thermodynamics of a hadron resonance gas. We argue that for T < Tc the equation of state derived from Monte--Carlo simulations of two…
Over the past few years new physics methods and algorithms as well as the latest supercomputers have enabled the study of the QCD thermodynamic phase transition using lattice gauge theory numerical simulations with unprecedented control…
A simple quasiparticle model, motivated by lowest-order perturbative QCD, is proposed. It is applied to interpret the lattice QCD equation of state. A reasonable reproduction of the lattice data is obtained. In contrast to existing…
The design of next-generation alloys through the Integrated Computational Materials Engineering (ICME) approach relies on multi-scale computer simulations to provide thermodynamic properties when experiments are difficult to conduct.…
We describe how we have used simultaneously ${\cal O}(10^3)$ nodes of the EGEE Grid, accumulating ca. 300 CPU-years in 2-3 months, to determine an important property of Quantum Chromodynamics. We explain how Grid resources were exploited…
We demonstrate a machine learning-based approach which predicts the properties of crystal structures following relaxation based on the unrelaxed structure. Use of crystal graph singular values reduces the number of features required to…
A first-principles approach called the {\it{self-consistent quasiharmonic approximation}} (SC-QHA) method is formulated to calculate the thermal expansion, thermomechanics, and thermodynamic functions of solids at finite temperatures with…