Laves相的基底滑移：同步剪切位错
Basal Slip in Laves Phases: the Synchroshear Dislocation
摘要：
两种不同的机制已被报道在以前的从头计算研究来描述复杂的金属间Laves相的基础滑移：同步剪切和起伏滑移。到目前为止，还没有明确的答案，这是积极的有利机制，以及是否他们中的任何一个可以有效地传播作为一个错位。使用经典的原子模拟支持从头计算，目前的工作消除了歧义，并表明这两种机制，事实上，相同的。此外，我们建立同步剪切作为机制内的基面在Laves相的位错传播。
英文摘要：
Two different mechanisms have been reported in previous ab initio studies to describe basal slip in complex intermetallic Laves phases: synchroshear and undulating slip. To date, no clear answer has been given on which is the energetically favourable mechanism and whether either of them could effectively propagate as a dislocation. Using classical atomistic simulations supported by ab initio calculations, the present work removes the ambiguity and shows that the two mechanisms are, in fact, identical. Furthermore, we establish synchroshear as the mechanism for propagating dislocations within the basal plane in Laves phases.
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