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We show theoretically that the mean turbulent dynamics can be described by a kinetic theory representation with a single free relaxation time that depends on space and time. A proper kinetic equation is constructed from averaging the…
Accurate evaluation of enthalpy of vaporization (or latent heat of vaporization) and its variation with temperature is of great interest in practical applications, especially for combustion of liquid fuels. Currently, a theoretically…
Below the onset temperature $T_\text{o}$, the equilibrium relaxation time of most glass-forming liquids exhibits glassy dynamics characterized by super-Arrhenius temperature dependence. In this supercooled regime, the relaxation dynamics…
A generalized Mott relation of metal melting entropy is derived by means of non-extensive solid and liquid quantum entropy that we calculate from grand partition functions of localized ordered quantum solid and of disordered quantum…
The aim of this work is to analyze the entropy, entropy flux and entropy supply rate of granular fluids within the frameworks of the Boltzmann equation and continuum thermodynamics. It is shown that the entropy inequality for a granular gas…
We discuss the dependence of self- and interdiffusion coefficients on temperature and composition for two prototypical binary metallic melts, Al-Ni and Zr-Ni, in molecular-dynamics (MD) computer simulations and the mode-coupling theory of…
The vorticity plays an important role in aerodynamics and rotational flow. Usually, they are studied with modified Navier-Stokes equation. This research will deduce the motion equation of vorticity from Navier-Stokes equation. To this…
This article covers few selected aspects of quantum theory of molecular rotations and vibrations. Triatomic molecules are the simplest systems, which show qualitative characteristics of larger polyatomic molecules. On the minimal example of…
For a deeply supercooled liquid near its glass transition temperature, we suggest a possible way to connect the temperature dependence of its molar excess entropy to that of its viscosity by constructing a macroscopic model, where the…
We present a new quantum molecular dynamics (MD) method where the electronic structure and atomic forces are solved by a real-space dynamical mean-field theory (DMFT). Contrary to most quantum MD methods that are based on effective…
We present molecular dynamics simulations of the thermodynamic melting transition of a bcc metal, vanadium using the Finnis-Sinclair potential. We studied the structural, transport and energetic properties of slabs made of 27 atomic layers…
In this paper, we consider mathematical modeling and numerical simulation of non-isothermal compressible multi-component diffuse-interface two-phase flows with realistic equations of state. A general model with general reference velocity is…
We consider the thermal dunking problem, in which a solid body is suddenly immersed in a fluid of different temperature, and study both the temporal evolution of the solid and the associated Biot number -- a non-dimensional heat transfer…
We construct a fully self-consistent non-equilibrium theory for the dynamics of two interacting finite-temperature atomic Bose-Einstein condensates. The condensates are described by dissipative Gross-Pitaevskii equations, coupled to quantum…
The ratio of shear viscosity to entropy density, $\eta/s$, is computed in various holographic geometries that break translation invariance (but are isotropic). The shear viscosity does not have a hydrodynamic interpretation in such…
We apply the mode coupling theory (MCT) which was recently worked out for molecular liquids to a liquid of diatomic, rigid molecules. Using the static correlators from a molecular dynamics simulation, we have solved the MCT-equations for…
A method for the calculation of elastic constants in the NVT ensamble, using molecular dynamics (MD) simulation with a realistic many-body embedded-atom-model (EAM) potential, is studied in detail. It is shown that in such NVT MD…
With nontrivial entropy production, first passage process is one of the most common nonequilibrium process in stochastic thermodynamics. Using one dimensional birth and death precess as a model framework, approximated expressions of mean…
Single fluid porous medium systems are typically modeled at an averaged length scale termed the macroscale using Darcy's law. Standard approaches for modeling macroscale single fluid phase flow of non-Newtonian fluids extend Darcy's law,…
The dynamic Mott insulator-to-metal transition (DMT) is key to many intriguing phenomena in condensed matter physics yet it remains nearly unexplored. The cleanest way to observe DMT, without the interference from disorder and other effects…