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Homogenization-based Analysis of Quasicontinuum Method for Complex Crystals

机译:基于均匀化的复杂系统拟连续谱方法分析   水晶

摘要

Among the efficient numerical methods based on atomistic models, thequasicontinuum (QC) method, introduced by Tadmor, Ortiz, and Phillips (1996),has attracted growing interest in recent years. Originally, the QC method wasdeveloped for materials with simple crystalline lattice (simple crystals) andlater was extended to complex lattice (Tadmor et al, 1999). In the presentpaper we formulate the QC method for complex lattices in a homogenizationframework and perform analysis of such a method in a 1D setting. We alsopresent numerical examples showing that the convergence results are valid in amore general setting.
机译:在基于原子模型的有效数值方法中,由Tadmor,Ortiz和Phillips(1996)提出的拟连续谱(QC)方法近年来引起了越来越多的兴趣。最初,QC方法是针对具有简单晶格(简单晶体)的材料开发的,后来又扩展到了复杂晶格(Tadmor等,1999)。在本文中,我们为均质化框架中的复杂晶格制定了QC方法,并在一维设置中对这种方法进行了分析。我们还给出了数值示例,表明收敛结果在更一般的设置中有效。

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