COMPUTER SIMULATIONS OF MECHANICAL PROPERTIES OF THE GRAIN BOUNDARY OF METALS
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摘要:本文扼要介绍了基于原子间相互作用的计算机模拟方法以及它们应用于研究金属晶界上所取得的成功.文中列举了晶界的生成、原子弛豫结构、杂质偏聚和空位迁移等几个方面的工作作为例证.此外,对这种模拟方法的局限性作了评论.Abstract:The computer simulation methods based upon interatomic interactions and their successful applications to the studies on the grain boundaries of metals are briefly introduced. As examples, the formation of grain boundary,its relaxed structure, impurity segregation and the vacancy migration are discussed. In addition, the limitations of these simulation methods are reviewed.
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Key words:
- computer simulation/
- metal/
- grain boundary
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