| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1561780 | Computational Materials Science | 2012 | 7 Pages |
Abstract
⺠We predict the thermal equation of state of tungsten carbide from first-principles. ⺠Electronic free energy anisotropy also determines the equilibrium shape of WC. ⺠Anisotropic compressibility and isotropic thermal expansivity coexist in WC. ⺠Mie-Grüneisen-Debye formalism is not of sufficient accuracy for WC. ⺠Metallic W-W bonding also plays an important role in WC.
Related Topics
Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
X.Y. Cheng, J.H. Zhou, X. Xiong, Y. Du, C. Jiang,