Atomistic simulation of orientation dependence in shock-induced initiation of pentaerythritol tetranitrate

Journal of Physical Chemistry B

Volumn 117, Issue 3, 2013, Pages 928-936

  Shan, Tzu Ray ^a   Wixom, Ryan R ^a   Mattsson, Ann E ^a   Thompson, Aidan P ^a  

^a SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

KINETIC ENERGY; KINETICS; MOLECULAR DYNAMICS;

ATOMISTIC SIMULATIONS; MOLECULAR DYNAMICS SIMULATIONS; MULTISCALES; NITRATE GROUPS; NITRO GROUP; ORIENTATION DEPENDENCE; PENTAERYTHRITOL TETRANITRATE; REACTION INITIATION; REACTIVE FORCE FIELD; SHOCK STRENGTH; SHOCK VELOCITIES; [100] ORIENTATION;

DISSOCIATION;

EID: 84872838309     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp310473h     Document Type: Article

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