Atomistic-to-continuum coupling
Atomistic-to-continuum coupling
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DOI：
10.1017/s0962492913000068
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发表时间：
2013-04
期刊：
影响因子：
14.2
通讯作者：
M. Luskin;C. Ortner
中科院分区：
文献类型：
--
作者：
M. Luskin;C. Ortner
原子-连续（a/c）耦合方法是一类将原子模型的精确性与连续弹性理论的有效性联合收割机相结合的计算多尺度方法。它们越来越多地被用于材料科学研究材料失效的基本机制，如裂纹扩展和塑性，这是由晶体缺陷和长程弹性场之间的相互作用。在构造空调耦合方法时，会产生各种近似误差。一个严格的数值分析方法，分类和量化这些错误可以给仿真结果的信心，以及使数值方法的精度和计算成本的优化。在这篇文章中，我们提出了这样一个数值分析框架，这是最近的研究活动的启发。
Atomistic-to-continuum (a/c) coupling methods are a class of computational multiscale schemes that combine the accuracy of atomistic models with the efficiency of continuum elasticity. They are increasingly being utilized in materials science to study the fundamental mechanisms of material failure such as crack propagation and plasticity, which are governed by the interaction between crystal defects and long-range elastic fields. In the construction of a/c coupling methods, various approximation errors are committed. A rigorous numerical analysis approach that classifies and quantifies these errors can give confidence in the simulation results, as well as enable optimization of the numerical methods for accuracy and computational cost. In this article, we present such a numerical analysis framework, which is inspired by recent research activity.