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Stress-dependent Peierls potential: Influence on kink-pair activation

机译:应力相关的Peierls势:对扭结对激活的影响

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摘要

Atomistic calculations based on the nudged elastic band method for a Lomer dislocation in aluminum evidence a dependence of the Peierls potential on the applied shear stress in such a way that the Peierls stress predicted from the zero-stress potential is half its true value for the case considered here. Stress-dependent Peierls potentials that are extracted are then introduced as substrate potentials in a string model with a line tension (LT) adjusted to match the dislocation kink width obtained from atomistic simulations. The LT model is found to predict accurately dislocation saddle configurations and corresponding kink-pair activation enthalpies for a wide range of stresses. In particular, it is shown that the stress dependence of the Peierls potential is required to model with accuracy the nonlinearity of the enthalpy-stress curve.
机译:基于微动弹性带方法对铝中的Lomer位错进行的原子计算表明,Peierls势与所施加的剪切应力的相关性使得从零应力势预测的Peierls应力为该情况下其真实值的一半在这里考虑。然后将提取的与应力相关的Peierls电势作为衬底电势引入线型模型中,并调整线张力(LT)以匹配从原子模拟获得的位错纽结宽度。发现LT模型可针对广泛的应力准确预测位错鞍形和相应的扭结对激活焓。特别是表明,需要用Peierls势的应力依赖性来精确建模焓-应力曲线的非线性。

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