Quadrature-rule type approximations to the quasicontinuum method for long-range interatomic interactions

Yanzhi Zhang; Max Gunzburger

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Quadrature-rule type approximations to the quasicontinuum method for long-range interatomic interactions

机译：远程原子间相互作用的准连续谱方法的正交规则类型逼近

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摘要

A quadrature-rule type method is presented to approximate the quasicontinuum method for atomistic mechanics. For both the short-range and long-range interaction cases, the complexity of this method depends on the number of representative particles but not on the total number of particles. Simple analysis and numerical experiments are provided to illustrate the accuracy and performance of the method. It is shown that, for the same accuracy, the quadrature-rule type method is much less costly than the quasicontinuum method.

机译：提出了一种正交规则类型的方法来近似原子力学的准连续谱方法。对于短距离和长距离交互情况，此方法的复杂性取决于代表性粒子的数量，而不取决于粒子的总数。提供了简单的分析和数值实验，以说明该方法的准确性和性能。结果表明，对于相同的精度，正交规则类型的方法比准连续谱方法的成本要低得多。

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来源
《Computer Methods in Applied Mechanics and Engineering》 |2010年第12期|648-659|共12页
作者
Yanzhi Zhang; Max Gunzburger;
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作者单位

Department of Scientific Computing, Florida State University, Tallahassee, FL 32306-4120, USA;

Department of Scientific Computing, Florida State University, Tallahassee, FL 32306-4120, USA;

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收录信息美国《科学引文索引》(SCI);美国《工程索引》(EI);
原文格式 PDF
正文语种 eng
中图分类
关键词
atomistic models; quasicontinuum method; quadrature-rule type approximation; long-range interactions; coulomb potential;

机译：原子模型准连续谱法正交规则类型逼近;远程互动;库仑势;

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5. Theory of domain patterns in systems with long-range interactions of Coulombic type. [D] . Muratov, Cyrill B. 1998

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Quadrature-rule type approximations to the quasicontinuum method for long-range interatomic interactions

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