@Article{CSIAM-AM-2-1,
author = {Shuyang, Dai and Wang, Fengru and Yang, Xiang and Zhijian, Yang, Jerry and Yuan, Cheng},
title = {Boundary Condition for Dislocation Dynamic Simulation in BCC Crystal},
journal = {CSIAM Transactions on Applied Mathematics},
year = {2021},
volume = {2},
number = {1},
pages = {175--194},
abstract = {<p style="text-align: justify;">The movement of dislocations and the corresponding crystal plastic deformation are highly influenced by the interaction between dislocations and nearby free
surfaces. The boundary condition for inclination angle $θ$<sub>inc</sub> which indicates the relation
between a dislocation line and the surface is one of the key ingredients in the dislocation dynamic simulations. In this paper, we first present a systematical study on $θ$<sub>inc&nbsp;</sub>by molecular static simulations in BCC-irons samples. We also study the inclination
angle by using molecular dynamic simulations. A continuum description of inclination angle in both static and dynamic cases is derived based on Onsager&#39;s variational
principle. We show that the results obtained from continuum description are in good
agreement with the molecular simulations. These results can serve as boundary conditions for dislocation dynamics simulations.</p>},
issn = {2708-0579},
doi = {https://doi.org/10.4208/csiam-am.SO-2020-0003},
url = {https://global-sci.com/article/82342/boundary-condition-for-dislocation-dynamic-simulation-in-bcc-crystal}
}