Open AccessInteratomic potential parameters for molecular dynamics simulations of RDX using a reactive force field: A validation study
Author(s) -
M. Warrier,
P. Pahari,
S. Chaturvedi
Publication year - 2012
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/377/1/012100
Subject(s) - reaxff , molecular dynamics , force field (fiction) , crystal (programming language) , materials science , modulus , massively parallel , crystal structure , bulk modulus , interatomic potential , chemical physics , thermodynamics , computational chemistry , computer science , chemistry , crystallography , parallel computing , physics , composite material , artificial intelligence , programming language