The Structure and Dynamics of Dislocations: From Atoms to the Continuum

9414648菲利普斯这项研究围绕三个目标展开。首先，根据原子计算对传统的Peierls位错迁移率模型进行了重新评价。其次，从面间剪切势的原子计算角度，研究了一种直接测量面间剪切势的实验方法。最后，探索了一种将原子模拟和连续介质方法相结合的新方案。这将允许在其通常的适用范围之外使用有限元计算，以研究位错迁移问题。这项研究的统一主题是检查控制单个位错的结构和流动性的因素，使结果能够直接与实验可获得的量联系在一起，即将原子和连续方法结合在一起来处理位错结构和动力学。***

9414648 Phillips This research centers around three objectives. First, the traditional Peierls model of dislocation mobility is reassessed in light of atomistic calculations. Secondly, a new experimental technique for measuring directly the interplanar shear potential is examined from the point of view of atomistic calculations of the interplanar potential. Finally a new scheme for bringing together atomistic simulation and continuum methods is explored. This will allow for the use of finite-element calculations outside of their usual province of applicability in order to study problems of dislocation mobility. The unifying theme of the research is the examination of factors governing the structure and mobility of single dislocations in a way that allows the results to be tied directly to experimentally accessible quantities, i.e., bring together atomistic and continuum approaches for the treatment of dislocation structure and dynamics. ***