123 citations · 195 across the 3 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2012★ 123 cited
Temperature dependent elastic constants and ultimate strength of graphene and graphyne
Tianjiao Shao, Bin Wen, Roderick Melnik +3
Based on the first principles calculation combined with quasi-harmonic approximation, in this work we focus on the analysis of temperature dependent lattice geometries, thermal exp…
cond-mat.mtrl-sci2012★ 56 cited
Temperature dependent elastic constants for crystals with arbitrary symmetry: combined first principles and continuum elasticity theory
Tianjiao Shao, Bin Wen, Roderick Melnik +3
To study temperature dependent elastic constants, a new computational method is proposed by combining continuum elasticity theory and first principles calculations. A Gibbs free en…
cond-mat.mtrl-sci2011★ 16 cited
Hydrogen-doped cubic diamond and the crystal structure of n-diamond
Bin Wen, Roderick Melnik, Shan Yao +1
To understand the crystal structure of n-diamond, a hydrogen-doped (H-doped) diamond model has been investigated using first principles calculations. In particular, hydrogen concen…