Mineralogy by means of molecular simulations

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Authors:Kawamura, Katsuyuki
Author Affiliations:Primary:
Tokyo Institute of Technology, Department of Earth and Planetary Sciences, Tokyo, Japan
Volume Title:Kobutsugaku Zasshi Journal of the Mineralogical Society of Japan
Source:Kobutsugaku Zasshi = Journal of the Mineralogical Society of Japan, 28(4), p.151-158. Publisher: Nippon Kobutsu Gakkai; Japan Publications Trading Co., Ltd., Tokyo, Japan. ISSN: 0454-1146
Publication Date:1999
Note:In Japanese with English summary. 19 refs.; illus., incl. 2 tables
Summary:We reviewed the computational methods of material sciences, and described the details of molecular dynamics methods and Metropolis Monte Carlo methods from the view points of the fundamental aspects and the applications to mineral sciences. We emphasize the importance of interatomic and intermolecular interaction models to perform molecular simulation. For further advanced applications of the current important problems in the earth and planetary sciences, we need to understand chemical bonds in minerals and related materials more quantitatively and effectively, and also develop appropriate procedures for the earth and planetary materials.
Sections:Crystal structure
Subjects:Bonding; Crystal chemistry; Dynamics; Geochemistry; Mineralogy; Molecular structure; Simulation; Theoretical studies
Abstract Numbers:01M/3759
Record ID:2000035995
Copyright Information:GeoRef, Copyright 2019 American Geosciences Institute.
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