A Method to Apply Piola-Kirchhoff Stress in Molecular Statics Simulation
Computational Physics
2021-04-05 v2
Abstract
A force-based optimization method is proposed to apply the first and second kind of Piola-Kirchhoff stresses in molecular statics simulation. This method is important for finite deformation problems in which the atomistic behavior can be more accurately described using Piola-Kirchhoff stresses. The performance of the method is tested and validated using Silicon as a model material.
Cite
@article{arxiv.2011.03694,
title = {A Method to Apply Piola-Kirchhoff Stress in Molecular Statics Simulation},
author = {Arman Ghasemi and Wei Gao},
journal= {arXiv preprint arXiv:2011.03694},
year = {2021}
}
Comments
10 pages, 6 figures; Introduction part is modified; Fig 5 is corrected