52 citations · 169 across the 13 of their papers we have counts for
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physics.comp-ph2017★ 22 cited
Effects of temperature and strain rate on mechanical behaviors of Stone-Wales defective monolayer black phosphorene
Yan Chen, Hang Xiao, Yilun Liu +1
The mechanical behaviors of monolayer black phosphorene (MBP) are explored by molecular dynamics (MD) simulations using reactive force field. It is revealed that the temperature an…
physics.comp-ph2017★ 52 cited
Development of a Transferable Reactive Force Field of P/H Systems: Application to the Chemical and Mechanical Properties of Phosphorene
Hang Xiao, Xiaoyang Shi, Feng Hao +3
ReaxFF provides a method to model reactive chemical systems in large-scale molecular dynamics simulations. Here, we developed ReaxFF parameters for phosphorus and hydrogen to give…