相关论文: Thermodynamic modeling of the LiCl-KCl-LaCl$_3$ sy…
The growth rates and chemical ordering of ferroelectric alloys are studied with kinetic Monte Carlo (KMC) simulations using an electrostatic model with long-range Coulomb interactions, as a function of temperature, chemical composition, and…
We study the phase structure of QCD at finite temperature within a Polyakov-loop enhanced quark-meson model. Such a model describes the chiral as well as the confinement-deconfinement dynamics. In the present investigation, based on the…
Aqueous lithium chloride solutions up to very high concentrations were investigated in classical molecular dynamics simulations. Various force fields based on the 12-6 Lennard-Jones model, parametrized for non-polarizable water solvent…
We report a novel multi-scale simulation methodology to quantitatively predict the thermodynamic behaviour of polymer mixtures, that exhibit phases with broken orientational symmetry. Our system consists of a binary mixture of oligomers and…
We study the quantum criticality at finite temperature for three two-dimensional (2D) $JQ_3$ models using the first principle nonperturbative quantum Monte Carlo calculations (QMC). In particular, the associated universal quantities are…
In this paper, we generalize the improved quasi-particle model proposed in J. Cao et al., [ Phys. Lett. B {\bf711}, 65 (2012)] from finite temperature and zero chemical potential to the case of finite chemical potential and zero…
A quasi-particle model is employed to derive from available lattice QCD calculations an equation of state useable in hydrodynamical simulations of the expansion stage of strongly interacting matter created in ultra-relativistic heavy-ion…
We construct a family of equations of state for QCD in the temperature range 30 MeV $\leq T\leq$ 800 MeV and in the chemical potential range $0\leq \mu_B \leq$ 450 MeV. These equations of state match available lattice QCD results up to…
The first-order phase transitions and related thermodynamics properties are primary concerns of materials sciences and engineering. In traditional atomistic simulations, the phase transitions and the estimation of their thermodynamic…
Using a molecular dynamics computer simulation we determine the temperature dependence of the partial structure factors for a binary Lennard-Jones system. These structure factors are used as input data to solve numerically the wave-vector…
We use extensive molecular dynamics simulations to calculate thermal conductivity and thermal diffusivity in two common molten salts, LiF and KCl. Our analysis includes the total thermal conductivity and intrinsic conductivity involving…
Leveraging high-precision lattice QCD data on the equation of state and baryon number susceptibility at vanishing chemical potential, we construct a Bayesian holographic QCD model and systematically analyze the thermodynamic properties of…
Hypotheses: The aggregation number and length of spherocylindrical (rodlike, wormlike) micelles in solutions of an ionic surfactant and salt can be predicted knowing the molecular parameters and the input concentrations of the species. This…
In this paper we demonstrate the use of multivariate topological algorithms to analyse and interpret Lattice Quantum Chromodynamics (QCD) data. Lattice QCD is a long established field of theoretical physics research in the pursuit of…
The liquid-vapor critical behavior of water is strongly influenced by both ionic solutes and confinement. Molecular dynamics simulations of aqueous NaCl solutions using the TIP4P/2005 water model and the Madrid-2019 ion parameters reveal a…
When plotted in linear transformations of the Michaelis-Menten equation, ion uptake in plants has been shown to be multiphasic, i.e. to be represented by a series of straight lines separated by discontinuous transitions (Nissen 1971, 1974,…
We developed a new physical model to predict macroscopic properties of inorganic molten systems using a realistic description of inter-atomic interactions. Unlike the conventional approach, which tends to overestimate viscosity by several…
We demonstrate that at finite density and sufficiently high temperatures, phase-quenched (PQ) lattice simulations combined with perturbation theory provide a new precision approach to determining the thermodynamics of QCD across a wide arc…
Phase diagrams serve as a highly informative tool for materials design, encapsulating information about the phases that a material can manifest under specific conditions. In this work, we develop a method in which Bayesian inference is…
One way of revealing the nature of the coronal heating mechanism is by comparing simple theoretical one dimensional hydrostatic loop models with observations at the temperature and/or density structure along these features. The most…