Why do grain boundaries exhibit finite facet lengths? -: art. no. 246102
Why do grain boundaries exhibit finite facet lengths? -: art. no. 246102
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DOI：
10.1103/physrevlett.90.246102
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发表时间：
2003-06-20
影响因子：
8.6
通讯作者：
Léonard, F
中科院分区：
文献类型：
--
作者：
Hamilton, JC;Siegel, DJ;Léonard, F
均匀的有限小面经常出现在晶界，通常被归因于晶界应力的平衡稳定。本文报道了用密度泛函理论、嵌入原子方法和连续介质弹性理论对铝孪晶GB的计算。这些方法表明，GB应力太小，不能稳定有限小面，这表明通常的解释是不正确的。
Uniform finite facets are frequently observed at grain boundaries (GBs) and are usually attributed to equilibrium stabilization by GB stress. We report calculations for an aluminum twin GB using density functional theory, the embedded-atom method, and continuum elasticity theory. These methods show that GB stress is much too small to stabilize finite facets, suggesting that the usual explanation is incorrect.