87 citations · 227 across the 30 of their papers we have counts for
4 papers · 2 filters
Quantum molecular dynamics simulations of thermophysical properties of fluid ethane
Yujuan Zhang, Cong Wang, Fawei Zheng +1
We have performed first-principles molecular-dynamics simulations based on density-functional theory to study the thermophysical properties of ethane under extreme conditions. We p…
Electronic, mechanical, and thermodynamic properties of americium dioxide
Yong Lu, Yu Yang, Fawei Zheng +2
By performing density functional theory (DFT) + calculations, we systematically study the electronic, mechanical, tensile, and thermodynamic properties of AmO. The experim…
Elasticity behavior, phonon spectra, and the pressure-temperature phase diagram of HfTi alloy: A density-functional theory study
Yong Lu, Ping Zhang
The pressure-induced phase transition, elasticity behavior, thermodynamic properties, and phase diagram of , , and equiatomic HfTi alloy are investigated u…
Phonon dispersion curves and thermodynamic properties of α-Pu2O3
Yong Lu, Yu Yang, Fawei Zheng +1
A recent inelastic x-ray scattering study [Manley et al., Phys. Rev. B 85, 132301 (2012)] reveals that the phonon dispersion curves of PuO2 is considerably consistent with our prev…