Calculation of Phenomenological Coefficients by Monte Carlo Computer Simulation Methods

Abstract:

Article Preview

In this paper we first review the principal indirect and direct Monte Carlo methods for calculating the Onsager phenomenological transport coefficients in solid state diffusion. We propose a new Monte Carlo method that makes use of a steady state calculation of a flux of atoms that is driven by a difference in chemical potential of the atoms between a source and a sink plane. The method is demonstrated for the simple cubic one component lattice gas with nearest neighbour interactions. The new method gives results in good agreement with a Monte Carlo method based on Einsteinian expressions for the phenomenological coefficients.

Info:

Periodical:

Edited by:

B.S. Bokstein and B.B. Straumal

Pages:

27-34

DOI:

10.4028/www.scientific.net/DDF.249.27

Citation:

I. V. Belova et al., "Calculation of Phenomenological Coefficients by Monte Carlo Computer Simulation Methods", Defect and Diffusion Forum, Vol. 249, pp. 27-34, 2006

Online since:

January 2006

Export:

Price:

$35.00

In order to see related information, you need to Login.

In order to see related information, you need to Login.