MOLECULAR DYNAMICS MECHANISM OF SELF-DIFFUSION(Molecular dynamics)

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概要

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• rights: 本文データは社団法人日本機械学会の許諾に基づきCiNiiから複製したものであるThe molecular mechanism of self-diffusion of a Lennard-Jones (L-J) liquid was studied by means of the two-dimensional molecular dynamics (MD) method from two standpoints. The first was the fluctuation of number density field. A fundamental cell was divided into several kinds of many equal-area subregions. It was found that particles moved relatively easily from a sub-region of high number density to one of low number density. The second point of view was the direction of resultant force acting on a particle and the displacement of the particle. A triangle with the minimum area was defined around the particle by three neigh-boring particles, inclusive of the particle in question. The minimum triangle implies a dense region. It was found that the provability of the resultant force directing to the dense region was less than to the sparse region. The displacement of the particle depends on the magnitude of the resultant force.

• 一般社団法人日本機械学会の論文
• 2000-10-01

著者

• Satake Shin-ichi

  Faculty Of Engineering Toyama University

• Iwaki Toshihiro

  Faculty of Engineering, Toyama University

• Iwaki Toshihiro

  Faculty Of Engineering Toyama University

関連論文

• MOLECULAR DYNAMICS MECHANISM OF SELF-DIFFUSION(Molecular dynamics)
• Thermal Stresses in a Plate Containing Two Circular Holes of Different Sizes under Uniform Heat Flow
• Molecular Dynamics Study on Stress-Strain in Very Thin Film : Size and Location of Region for Defining Stress and Strain

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