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Energy-based ghost force removing techniques for the quasicontinuum method

机译:准基本能量的基于能量的鬼力去除技术   方法

摘要

This paper studies numerical methods for accurate treatment of the interfacebetween the local and the nonlocal region in a QC approximation of atomisticmaterials. Only the energy-based methods are considered. Particularly, aquasicontinuum projection (QCP) method based on the idea of finite elements isshown to be accurate and efficient for this problem. We analyse the QCP methodand study its relation to the existing methods, such as the quasinonlocalquasicontinuum method and the geometrically consistent reconstruction-basedmethod. The analysis and the results of numerical tests confirm that theprojection-based QC method successfully removes the ghost force with the samecomputational cost as the other methods. In all computed examples the error ofQCP is either the same or lower as the error of the other methods. Theperformance of these methods in treating interfaces of elements in the localregion is also examined.
机译:本文研究了精确处理原子材料QC近似中局部和非局部区域之间的界面的数值方法。仅考虑基于能量的方法。特别是,基于有限元思想的准连续谱投影(QCP)方法被证明对于该问题是准确而有效的。我们分析了QCP方法,并研究了它与现有方法的联系,如拟局部局部拟连续谱方法和基于几何一致性的重建方法。分析和数值测试结果证实,基于投影的质量控制方法能够以与其他方法相同的计算成本成功地消除幻影力。在所有计算示例中,QCP的误差与其他方法的误差相同或更低。还检查了这些方法在处理局部区域中的元素的界面方面的性能。

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  • 年度 2009
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  • 正文语种 {"code":"en","name":"English","id":9}
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