Density Functional Theory investigations of titanium gamma-surfaces and stacking faults
Materials Science
2015-06-05 v1 Computational Physics
Abstract
Properties of hcp-Ti such as elastic constants, stacking faults and gamma-surfaces are computed using Density Functional Theory (DFT) and two central force Embedded Atom interaction Models (EAM). The results are compared to previously published calculations and to predicting models. Their implications on the plastic properties of hcp-Ti are discussed.
Keywords
Cite
@article{arxiv.1206.2490,
title = {Density Functional Theory investigations of titanium gamma-surfaces and stacking faults},
author = {Magali Benoit and Nathalie Tarrat and Joseph Morillo},
journal= {arXiv preprint arXiv:1206.2490},
year = {2015}
}
Comments
12 pages, 3 figures, 3 tables