Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
6929190 | Journal of Computational Physics | 2018 | 9 Pages |
Abstract
The aim of this paper is to create a molecular algorithm for modeling the transport processes in gases that will be more efficient than molecular dynamics method. To this end, the dynamics of molecules are modeled stochastically. In a rarefied gas, it is sufficient to consider the evolution of molecules only in the velocity space, whereas for a dense gas it is necessary to model the dynamics of molecules also in the physical space. Adequate integral characteristics of the studied system are obtained by averaging over a sufficiently large number of independent phase trajectories. The efficiency of the proposed algorithm was demonstrated by modeling the coefficients of self-diffusion and the viscosity of several gases. It was shown that the accuracy comparable to the experimental one can be obtained on a relatively small number of molecules. The modeling accuracy increases with the growth of used number of molecules and phase trajectories.
Keywords
Related Topics
Physical Sciences and Engineering
Computer Science
Computer Science Applications
Authors
V.Ya. Rudyak, E.V. Lezhnev,