MOLECULAR DYNAMICS SIMULATION OF VACANCY PROPERTIES IN PLASTIC ADAMANTANE.

被引：0

作者：

Meyer, M. ^{[1
]}

Marhic, C. ^{[1
]}

机构：

[1] Cent d'Etudes Nucleaires de Saclay,, Section de Recherches de Metallurgie, Physique, Gif-sur-Yvette, Fr, Cent d'Etudes Nucleaires de Saclay, Section de Recherches de Metallurgie Physique, Gif-sur-Yvette,

来源：

Physica B: Physics of Condensed Matter & C: Atomic, Molecular and Plasma Physics, Optics | 1984年 / 131卷 / 1-3期

关键词：

CRYSTALS; -; Structure;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

Molecular dynamics simulation techniques are used to calculate the formation energy of a single vacancy in plastic adamantane. Two different temperatures are investigated, 310 K and 400 K. The formation energies calculated for these two temperatures do not differ significantly. There is no translational relaxation around the vacancy, but there is a noticeable increase of orientational disorder in the neighborhood of the point defect.

引用

页码：249 / 255

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