| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1561227 | Computational Materials Science | 2013 | 7 Pages |
Abstract
⺠Zirconium and Hafnium Di-boride are critical ultra-high temperature materials. ⺠Applications range from re-entry vehicles, hypersonic flights, etc. ⺠Finite temperature atomistics simulations are currently not possible. ⺠We develop interatomic potentials within the ReaxFF framework. ⺠This will pave the way for also modeling chemical reactions.
Related Topics
Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
Afif Gouissem, Wu Fan, Adri C.T. van Duin, Pradeep Sharma,