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Accession number;00A0194399
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| Title;Mineralogy by Means of Molecular Simulations. |
| Author;
KAWAMURA KATSUYUKI
(Tokyo Inst. of Technology, Graduate School)
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Journal Title;Journal of the Mineralogical Society of Japan
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Journal Code:G0124A
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ISSN:0454-1146
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VOL.28;NO.4;PAGE.151-158(1999)
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| Figure&Table&Reference;FIG.3, TBL.1, REF.19 |
| Pub. Country;Japan |
| Language;Japanese |
| Abstract;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 the further advanced applications of the current importantploblems in the earth and planetary sciences, we need to understand chemical bondings in minerals and related materials more quantitatively and effectively, and also develop appropriate procedures for the earth and planetary materials. (author abst.) |
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