相关论文: Generalized Coupling Parameter Expansion: Applicat…

It is well known that mode coupling theory (MCT) leads to a two step power-law time decay in dense simple fluids. We show that much of the mathematical machinery used in the MCT analysis can be taken over to the analysis of the systematic…

The Borgnakke-Larsen model, widely used in rarefied flow predictions, serves as the mainstream energy-exchange kernel for polyatomic gases. However, it lacks integrability and does not guarantee detailed balance, limiting theoretical…

Despite extensive study of the liquid-gas phase transition, accurately determining the critical point and the critical exponents in fluid systems through direct simulation remains a challenge. We employ the eigen microstate theory (EMT) to…

The one-dimensional Kondo lattice model is investigated by means of Wegner's flow equation method. The renormalization procedure leads to an effective Hamiltonian which describes a free one-dimensional electron gas and a Heisenberg chain.…

We present a relativistic Shakhov-type generalization of the Anderson-Witting relaxation time model for the Boltzmann collision integral to modify the ratio of momentum diffusivity to thermal diffusivity. This is achieved by modifying the…

In this work we extend our previously developed formalism of Newtonian multi-fluid hydrodynamics to allow for coupling between the fluids and the electromagnetic and gravitational field. This is achieved within the convective variational…

We use molecular dynamics simulations to study the behavior of a compressible Lennard-Jones fluid in simple shear flow in a two-dimensional nanochannel. The system is equilibrated in the fluid phase close to the triple point at which gas,…

This study derived the vertical distribution of streamwise velocity in wide open channels by maximizing Tsallis entropy, in accordance with the maximum entropy principle, subject to the total probability rule and the conservation of mass,…

Lubrication theory makes use of the assumptions of a long and thin fluid domain and a small scaled Reynolds number to formulate a linearized approximation to the Navier-Stokes equations. Extended lubrication theory aims to improve the model…

We present a detailed derivation of a microscopic theory for the glass transition of a liquid enclosed between two parallel walls relying on a mode-coupling approximation. This geometry lacks translational invariance perpendicular to the…

Water-in-Salt-Electrolytes (WiSEs) are a promising class of next-generation electrolytes. Unlike classical dilute electrolytes or more conventional battery electrolytes, WiSEs are characterised by their super-concentrated salt concentration…

In this paper we extend the parametric sensitivity analysis (SA) methodology proposed in Ref. [Y. Pantazis and M. A. Katsoulakis, J. Chem. Phys. 138, 054115 (2013)] to continuous time and continuous space Markov processes represented by…

Employing simplified models in computer simulation is on the one hand often enforced by computer time limitations but on the other hand it offers insights into the molecular properties determining a given physical phenomenon. We employ this…

A detailed derivation of the Lattice Boltzmann (LB) scheme for relativistic fluids recently proposed in Ref. [1], is presented. The method is numerically validated and applied to the case of two quite different relativistic fluid dynamic…

The main goal of this paper is to prove $L^1$-comparison and contraction principles for weak solutions (in the sense of distributions) of Hele-Shaw flow with a linear Drift. The flow is considered with a general reaction term including the…

We present a single-particle Lennard-Jones (L-J) model for CO2 and N2. Simplified L-J models for other small polyatomic molecules can be obtained following the methodology described herein. The phase-coexistence diagrams of single-component…

Tunneling through a localized barrier in a one-dimensional interacting electron gas has been studied recently using Luttinger liquid techniques. Stable phases with zero or unit transmission occur, as well as critical points with universal…

A theory for chemical reaction dynamics in condensed phase systems based on the generalized Langevin formalism of Grote and Hynes is presented. A microscopic approach to calculate the dynamic friction is developed within the framework of a…

We study generalizations of the Schr\"odinger problem in statistical mechanics in two directions: when the density is constrained at more than two times, and when the joint law of the initial and final positions for the particles is…

We study an ad hoc extension of the Lattice-Boltzmann method that allows the simulation of non-Newtonian fluids described by generalized Newtonian models. We extensively test the accuracy of the method for the case of shear-thinning and…