相关论文: Extraction a Formalism for Fluids with Non-Spheric…

A first principles quantum formalism to describe the non-adiabatic dynamics of electrons and nuclei based on a second quantization representation (SQR) of the electronic motion combined with the usual representation of the nuclear…

We calculate thermodynamic and structural quantities of a fluid of hard spheres of diameter $\sigma$ in a quasi-one-dimensional pore with accessible pore width $W $ smaller than $\sigma$ by applying a perturbative method worked out earlier…

The problem of surface effects at a fluid boundary created by the force field of finite value is investigated. A classical simple fluid with a locally introduced field imitating a permeable solid is considered. The cases of micro- and…

We present a systematic coarse-graining (CG) strategy for many particle molecular systems based on cluster expansion techniques. We construct a hierarchy of coarse-grained Hamiltonians with interaction potentials consisting of two, three…

Equilibrium molecular dynamics simulations, in combination with the Green-Kubo (GK) method, have been extensively used to compute the thermal conductivity of liquids. However, the GK method relies on an ambiguous definition of the…

We study the thermodynamic formalism of systems where the potential depends randomly on an exterior system. We define the {\em pressure out of equilibrium} for such a family of potentials, and prove a corresponding variational principle. We…

This paper is devoted to semiclassical molecular dynamics simulation of nondegenerate hydrogen plasma using an improved Kelbg pseudopotential. The main novelty of our method is accounting for the finite size of electrons. This modification…

We present a numerical method to deal efficiently with large numbers of particles in incompressible fluids. The interactions between particles and fluid are taken into account by a physically motivated ansatz based on locally defined drag…

A theoretical approach to describing transport of an entire ensemble of clusters with different sizes as a single species in gas has been developed. The major assumption is an existence of local partial chemical equilibrium between the…

In this paper, we present a novel model-agnostic machine learning technique to extract a reduced thermochemical model for reacting hypersonic flows simulation. A first simulation gathers all relevant thermodynamic states and the…

Model of hard sphere system is important part of modern theories of liquids. Radial distribution function of hard sphere fluid represented in form of explicit analytical expression allows to obtain thermodynamic potentials in analytical…

Based on the formalism of nonlocal extension of the Israel-Stewart causal thermodynamics on the one hand, and on the formalism of the extended thermostatics on the other hand, we propose the new model of nonlocal relativistic…

We review the methods based on expectation value coupled cluster formalism - a common framework for the derivation of properties: the ground-state average value of an observable, cumulants of the second-order reduced density matrices,…

We investigate an undamped random phase-space dynamics in deterministic external force fields (conservative and magnetic ones). By employing the hydrodynamical formalism for those stochastic processes we analyze microscopic kinetic-type…

In this article, we investigate the thermal properties of non-relativistic many-body systems at finite temperature and chemical potential. We compute the one-point function of various operators constructed out of the basic fields in ideal…

Using the integral transformation, the field-theoretical Hamiltonian of the statistical field theory of fluids is obtained, along with the microscopic expressions for the coefficients of the Hamiltonian. Applying this approach to the…

The density-functional (DF) theory provides a simple method for calculating the properties of an interacting system under an external potential by associating it with a corresponding non-interacting system. Here, we find some relations in…

Recently, new insights in the relation between the geometry of the vessel that confines a fluid and its thermodynamic properties were traced through the study of cluster integrals for inhomogeneous fluids. In this work I analyze the…

The new mathematical framework based on the free energy of pure classical fluids presented in [R. D. Rohrmann, Physica A 347, 221 (2005)] is extended to multi-component systems to determine thermodynamic and structural properties of…

We present a new approach to describe hydrodynamics carrying non-Abelian macroscopic degrees of freedom. Based on the Kaluza-Klein compactification of a higher-dimensional neutral dissipative fluid on a group manifold, we obtain a d=4…