Time- and memory-efficient representation of complex mesoscale potentials

JOURNAL OF COMPUTATIONAL PHYSICS

卷:343

Article

关键词: Mesoscale modeling;    Tensor train cross approximation;   

DOI  :  10.1016/j.jcp.2017.04.056

来源: Elsevier

【 摘 要 】

We apply the modern technique of approximation of multivariate functions - tensor train cross approximation - to the problem of the description of physical interactions between complex-shaped bodies in a context of computational nanomechanics. In this note we showcase one particular example - van der Waals interactions between two cylindrical bodies - relevant to modeling of carbon nanotube systems. The potential is viewed as a tensor ( multidimensional table) which is represented in compact form with the help of tensor train decomposition. The described approach offers a universal solution for the description of van der Waals interactions between complex-shaped nanostructures and can be used within the framework of such systems of mesoscale modeling as recently emerged mesoscopic distinct element method (MDEM). (C) 2017 Elsevier Inc. All rights reserved.

【 授权许可】

Free