Fundamental interaction process between pure edge dislocation and energetically stable grain boundary
Fundamental interaction process between pure edge dislocation and energetically stable grain boundary
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DOI：
10.1103/physrevb.79.012104
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发表时间：
2009-01
影响因子：
3.7
通讯作者：
T. Tsuru;Y. Shibutani;Y. Kaji
中科院分区：
文献类型：
--
作者：
T. Tsuru;Y. Shibutani;Y. Kaji
位错与晶界的相互作用是决定金属力学性能和塑性变形行为的主要因素。可以控制晶界组织，宏观行为在科学和工业应用中得到了广泛的开发。然而，在原子尺度上，特定的相互作用特征，如反应能量和路径，尚未被揭示。我们研究了位错与能量稳定的晶界之间的相互作用过程，并通过原子过渡态分析确定了其定量特征。结果表明，相互作用能为$1.16\ifmmode\times\else\texttimes\fi{}{10}^{\ensuremath{-}1}\text{}\Text{ev}/\Text{\Aa{}}$，比Peierls势高出${10}^{4}$。晶格位错随后在晶界上发生反常解离，成为导致位错消失和晶界迁移的关键因素。
The interaction between dislocations and grain boundaries is the principal factor for determining the mechanical properties and the plastic deformation behavior of metals. It is possible to control the grain-boundary microstructure and the macroscopic behavior has been widely exploited for scientific and industrial applications. In atomic scale, however, specific interaction characteristics such as the reaction energy and pathway have yet to be revealed. We have investigated the interaction process between a dislocation and an energetically stable grain boundary, and the quantitative characteristics were determined via atomistic transition state analysis. As a result, the interaction energy is found to be $1.16\ifmmode\times\else\texttimes\fi{}{10}^{\ensuremath{-}1}\text{ }\text{eV}/\text{\AA{}}$, which is ${10}^{4}$ times higher than the Peierls potential. The lattice dislocations subsequently experience anomalous dissociations on the grain boundary, which becomes a key factor for the previously unexplained dislocation disappearance and grain-boundary migration.