نتایج جستجو برای: molecular kinetic theory
تعداد نتایج: 1464755 فیلتر نتایج به سال:
A kinetic theory for relativistic gases in the presence of gravitational fields is developed second post-Newtonian approximation. The corresponding Boltzmann equation determined from evolution one-particle distribution function with respect to proper time along world line particle. From knowledge equilibrium Maxwell-J\"uttner approximation components particle four-flow and energy-momentum tenso...
molecular dynamics simulation has been performed to analyze the effect of the presence of gold nanoparticle on dynamics of kob-anderson binary lennard-jones (blj) mixture upon supercooling within the framework of the mode coupling theory of the dynamic glass transition. the presence of gold nanoparticle has a direct effect on the liquid structure and causes the peaks of the radial distribution ...
We consider a quantum Langevin kinetic equation for system of fermions. first derive the force noise correlation functions in Landau's Fermi-liquid theory from general considerations. then use resulting to calculate equilibrium dynamic structure factor collisionless regime at low temperatures. The result is agreement with conventional many-body result. both fluctuating Navier-Stokes equations f...
The temperature evolution of dilute soft inertial gas-solid suspensions is theoretically analyzed when the gas particles are influenced by a nonlinear drag force from background fluid. kinetic theory extended to this system, and time evolutions kurtosis velocity distribution derived. Molecular dynamics simulations also performed check validity theory, they show good agreement with theoretical p...
The thermal conductivity of solid argon at high-pressure (up to 50 GPa) and high-temperature (up to 2000 K) has been calculated by equilibrium molecular dynamics simulations using the Green-Kubo formalism and an exponential-6 interatomic potential. A simple empirical expression is given for its pressure and temperature dependence. The results are compared with predictions based on kinetic theor...
Fluid flows in the nanometer scale can be studied by molecular dynamics or Monte Carlo methods, but the time and length scales are usually limited to rather short ranges due to the computational expense. Kinetic theory is an alternative tool for studying nanoscale flows, but the existing models are rather complicated and difficult to implement. In this paper, we propose a simple Enskog-like kin...
We give a detailed exposition of the formalism Kinetic Field Theory (KFT) with emphasis on perturbative determination observables. KFT is statistical non-equilibrium classical field theory based path integral formulation mechanics, employing powerful techniques developed in context quantum to describe systems. Unlike previous work KFT, we perform integration over probability distribution initia...
A molecular bipaddled flipper based on a tetradentate chiral Cu complex has been designed. The paddling motion of this unprecedented molecular-scale machine can be controlled by reversible oxidation of the metal center. Kinetic and computational (density functional theory) analyses provide a detailed picture of the flipper motion at the molecular scale, rationalize the switching role of the met...
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