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首页> 外文会议>International Symposium on Magnetic Industry(ISMI'04) amp; International Symposium on Physics and IT Industry(ISPITI'04); 20041004-08; Shenyang(CN) >First Principles Investigation of Point Defect and Ordering Behavior in Alloys and Intermetallicsx
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First Principles Investigation of Point Defect and Ordering Behavior in Alloys and Intermetallicsx

机译：合金和金属间化合物的点缺陷和有序行为的首要原理研究x

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摘要

Many properties of material, such as optical, magnetic, electrical and even mechanical properties, correlated strongly with the point defect and ordering behavior of alloys, either directly or through their influence on the line defect, such as dislocation, or planar defects, such as grain boundary, anti-phase boundary and stacking fault, etc. In this paper, we review the recent progress on the first principles investigation of the alloying effects of elements, site occupation behavior of alloying elements in ordered intermetallic compounds, the short range and long range ordering in alloys and compounds and its influence on some properties, mostly our own results on the structural materials.
机译：材料的许多性质，例如光学，磁性，电学甚至机械性质，都与合金的点缺陷和有序行为直接相关或通过其对线缺陷（例如位错）或平面缺陷的影响而密切相关，例如本文综述了元素的合金化作用，合金元素在有序金属间化合物中的位点占据行为，短程和长程的第一性原理研究的最新进展。合金和化合物的范围排序及其对某些性能的影响，主要是我们对结构材料的研究结果。

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