Open AccessReaxFF molecular dynamics simulations of shock induced reaction initiation in TNT
Author(s) -
Hai Liu,
Yuanhang He,
Junling Li,
Zhou Zhi-xuan,
Zhaoxia Ma,
Sheng Liu,
Xiao Dong
Publication year - 2019
Publication title -
aip advances
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.421
H-Index - 58
ISSN - 2158-3226
DOI - 10.1063/1.5047920
Subject(s) - reaxff , dimer , molecular dynamics , shock (circulatory) , molecule , thermodynamics , chemical physics , chemical reaction , chemistry , materials science , computational chemistry , physics , organic chemistry , medicine , interatomic potential
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