材料原子连续体建模中的匹配条件。
Matching conditions in atomistic-continuum modeling of materials.
作者信息
E W, Huang Z
机构信息
Department of Mathematics and PACM, Princeton University, Princeton, New Jersey 08544, USA.
出版信息
Phys Rev Lett. 2001 Sep 24;87(13):135501. doi: 10.1103/PhysRevLett.87.135501. Epub 2001 Sep 5.
A new class of matching conditions between the atomistic and continuum regions is presented for the multiscale modeling of crystals. They ensure the accurate passage of large scale information between the atomistic and continuum regions and at the same time minimize the reflection of phonons at the interface. These matching conditions can be made adaptive if we choose appropriate weight functions. Applications to dislocation dynamics and friction between two-dimensional atomically flat crystal surfaces are described.
针对晶体的多尺度建模，提出了一类原子区域与连续介质区域之间的新匹配条件。它们确保了大规模信息在原子区域和连续介质区域之间的准确传递，同时最大限度地减少了声子在界面处的反射。如果我们选择合适的权重函数，这些匹配条件可以实现自适应。文中描述了其在位错动力学和二维原子级平整晶体表面间摩擦方面的应用。
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