期刊
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
卷 127, 期 -, 页码 -出版社
ELSEVIER SCIENCE INC
DOI: 10.1016/j.jmgm.2023.108675
关键词
Multiscale simulation; Molecular dynamics; Generalized particle method; Nanoindentation; Nanoscratch
This paper employs the Generalized Particle (GP) method to simulate nanoindentation and nanoscratching, showing that this method maintains consistent atomic properties across different scales and achieves results consistent with full atomic simulations.
Most concurrent multiscale methods that expand atomistic region by continuum domain suffer from inconsistent material constitutive properties, which affect the integrity of model in the interface of atomistic and continuum domains. In this paper, the Generalized Particle (GP) method is employed to simulate nanoindentation and nanoscratching of a single-crystal aluminum sample. The main advantage of the GP method lies in its ability to extend the simulation model while maintaining consistent atomic properties across all scales. Coarsening of the atomic domain has been conducted through two-scale and three-scale GP model. The results showed a strong consistency between the results of full atomic simulations and those achieved through the GP method for both nanoindentation and nanoscratch simulations. Also, wave reflections were not seen at the interfaces. The study revealed that an increase in the number of distinct particle domains led to a reduction in the accuracy of multiscale simulations.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据