42 citations · 115 across the 6 of their papers we have counts for
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Quantum molecular dynamics simulations of the thermophysical properties of shocked liquid ammonia for pressures up to 1.3 TPa
Dafang Li, Ping Zhang, Jun Yan
We investigate via quantum molecular-dynamics simulations the thermophysical properties of shocked liquid ammonia up to the pressure 1.3 TPa and temperature 120000 K. The principal…
Quantum molecular dynamic simulations of warm dense carbon monoxide
Yu-Juan Zhang, Cong Wang, Da-Fang Li +1
Using quantum molecular dynamic simulations, we have studied the thermophysical properties of warm dense carbon monoxide under extreme conditions. The principal Hugoniot, which is…
Quantum molecular dynamics simulations for the nonmetal-metal transition in shocked methane
Dafang Li, Ping Zhang, Jun Yan
We have performed quantum molecular-dynamics simulations for methane under shock compressions up to 80 GPa. We obtain good agreement with available experimental data for the princi…
Quantum molecular dynamics simulations of lithium melting using Z-method
Dafang Li, Ping Zhang, Jun Yan
We performed first-principles molecular dynamics calculations for lithium using the projector augmented waves method and the generalized gradient approximation as exchange-correlat…
Electronic structure, mechanical and thermodynamic properties of ThN from first-principles calculations
Yong Lu, Dafang Li, Bao-Tian Wang +2
Lattice parameter, electronic structure, mechanical and thermodynamic properties of ThN are systematically studied using the projector-augmented-wave method and the generalized gra…
Structural, mechanical, thermodynamic, and electronic properties of thorium hydrides from first principles
Bao-Tian Wang, Ping Zhang, Hongzhou Song +3
We perform first-principles calculations of the structural, electronic, mechanical, and thermodynamic properties of thorium hydrides (ThH and ThH) based on the d…