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Title: Self and cross-velocity correlation functions and diffusion coefficients in liquids: a molecular dynamics study of binary mixtures of soft spheres
Author: Trullàs Simó, Joaquim
Padró i Cárdenas, Joan Àngel
Keywords: Cristal·lografia
Propietats de la matèria
Properties of matter
Issue Date: 1994
Publisher: The American Physical Society
Abstract: Molecular dynamics simulation is applied to the study of the diffusion properties in binary liquid mixtures made up of soft-sphere particles with different sizes and masses. Self- and distinct velocity correlation functions and related diffusion coefficients have been calculated. Special attention has been paid to the dynamic cross correlations which have been computed through recently introduced relative mean molecular velocity correlation functions which are independent on the reference frame. The differences between the distinct velocity correlations and diffusion coefficients in different reference frames (mass-fixed, number-fixed, and solvent-fixed) are discussed.
Note: Reproducció del document publicat a: http://10.1103/PhysRevE.50.1162
It is part of: Physical Review E, 1994, vol. 50, núm. 2, p. 1162-1170
ISSN: 1063-651X
Appears in Collections:Articles publicats en revistes (Física de la Matèria Condensada)

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