期刊
METALS
卷 12, 期 10, 页码 -出版社
MDPI
DOI: 10.3390/met12101586
关键词
tantalum; molecular dynamics; spall strength
资金
- U.S. Department of Energy through the Los Alamos National Laboratory
- National Nuclear Security Administration of U.S. Department of Energy [89233218CNA000001]
- Advanced Simulation and Computing Program's Physics and Engineering Models subprogram (Program Manager Manolo Sherrill) [464745]
A suite of molecular dynamics simulations is used to study the effect of grain boundary misorientation on spall strength in pure BCC tantalum. The results show that the homogeneous extension method requires fewer atoms and computational costs compared to the piston/flyer impact method for similar spall strength predictions.
A suite of 37 molecular dynamics simulations is conducted at two system sizes to systematically characterize the role of grain boundary (GB) misorientation on spall strength in pure BCC tantalum (Ta). The systems studied consist of bicrystals with a single [110] symmetric tilt grain boundary. Two loading conditions are compared: (i) homogeneous extension under uniaxial strain simulated in this study and (ii) piston/flyer impact of sample, which induces heterogeneous deformation via shockwave propagation along the length of the sample. The piston/flyer impact is taken from the literature and run on the same set of GB misorientation angles using LAMMPS. The major finding here is that both methods result in similar spall strength predictions, but the homogeneous extension method generally requires two to three orders of magnitude fewer atoms and similar reductions in computational costs. Spall strength results systematically overpredict using this method, by about 10% for the dataset three orders of magnitude smaller than piston/flyer simulations, and 5% for the dataset two orders of magnitude smaller. Lastly, the effect of system size and pre-compression magnitude on spall strength is systematically characterized.
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