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We present general calculations allowing to express the thermodynamical coefficients and thermophysical properties (compressibility, thermal coefficients and heat capacities) of a material composed of a mixture of two constituents or…
We employ adaptive mesh refinement, implicit time stepping, a nonlinear multigrid solver and parallel computation, to solve a multi-scale, time dependent, three dimensional, nonlinear set of coupled partial differential equations for three…
We consider a hypothetical substance, where interaction between (within) structural elements of condensed matter (molecules, nanoparticles, clusters, layers, wires etc.) depends on state of Cooper pairs: an additional work must be made…
In this work, we report the results of \emph{ab initio} calculations of thermochemical properties of several compounds in the Fe-Nd, B-Nd and B-Fe-Nd systems. We have performed DFT+U calculations to compute the enthalpy of formation of the…
Simple application of the Einstein model combined with the elastic description of solid state is developed. The frequency of quantum oscillators has been assumed as volume dependent and, furthermore, elastic energy terms of static character…
A recent solution of the inelastic Boltzmann equation that applies for strong dissipation and takes into account non-equipartition of energy is used to derive an explicit expression for the thermal diffusion factor. This parameter provides…
Classical density-functional theory is employed to study finite-temperature trends in the relative stabilities of one-component quasicrystals interacting via effective metallic pair potentials derived from pseudopotential theory. Comparing…
A theoretical-computational framework is proposed for predicting the failure behavior of two anisotropic brittle materials, namely, single crystal magnesium and boron carbide. Constitutive equations are derived, in both small and large…
We present a theory to predict the structure and thermodynamics of mixtures of colloids of different diameters, building on our earlier work [J. Chem. Phys. 145, 074904 (2016)] that considered mixtures with all particles constrained to have…
The stability properties and splitting dynamics of multiply quantized vortices are the subject of interest in both theoretical and experimental investigations. Going beyond the regime of validity of Gross-Pitaevskii equation (GPE), we study…
The enthalpy of mixing in the liquid phase is a thermodynamic property reflecting interactions between elements that is key to predict phase transformations. Widely used models exist to predict it, but they have never been systematically…
Using the string melting version of a multiphase transport model, we focus on the evolution of thermodynamic properties of the central cell of parton matter produced in Au$+$Au collisions ranging from 200 GeV down to 2.7 GeV. The…
We present in this work a generalization of the solution of Gorenstein and Yang for a consistent thermodynamics for systems with a temperature dependent Hamiltonian. We show that there is a large class of solutions, work out three…
By use of the conservation laws a four-site Hubbard model coupled to a particle bath within an external magnetic field in z-direction was diagonalized. The analytical dependence of both the eigenvalues and the eigenstates on the interaction…
Laboratory plasma production almost always preferentially heats either the ions or electrons, leading to a two-temperature state. High-fidelity modeling of these systems can be achieved with density functional theory molecular dynamics in…
The Ginzburg-Landau formalism is constructed for Fermi superfluidity based on the 2n-body condensation in parallel with the usual Ginzburg-Landau formalism for the Cooper pair condensation. By this formalism, the transition temperature of…
Volatility-dependent fractionation of the rock-forming elements at high temperatures is an early, widespread process during formation of the earliest solids in protoplanetary disks. Equilibrium condensation calculations allow prediction of…
We elucidate the interplay between diverse two-dimensional melting pathways and establish solid/hexatic and hexatic/liquid transition criteria via the numerical simulations of the melting transition of two- and three-component mixtures of…
Statistical thermodynamics is valuable as a conceptual structure that shapes our thinking about equilibrium thermodynamic states. A cloud of unresolved questions surrounding the foundations of the theory could lead an impartial observer to…
We investigate the kinetic theory of two-temperature plasmas for reactive polyatomic gas mixtures. The Knudsen number is taken proportional to the square root of the mass ratio between electrons and heavy-species, and thermal…