Initial decomposition of the condensed-phase β-HMX under shock waves: Molecular dynamics simulations

Journal of Physical Chemistry B

Volumn 116, Issue 46, 2012, Pages 13696-13704

  Ge, Ni Na ^a,b   Wei, Yong Kai ^a,b   Ji, Guang Fu ^a   Chen, Xiang Rong ^a,c   Zhao, Feng ^a   Wei, Dong Qing ^d  

^a RESEARCH CENTER OF LASER FUSION   (China)

^b SICHUAN UNIVERSITY   (China)

^c INTERNATIONAL CENTRE FOR MATERIALS PHYSICS   (China)

^d BEIJING INSTITUTE OF TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE DENSITY; MOLECULAR DYNAMICS; NITROGEN OXIDES; SHOCK WAVES;

C-H BOND DISSOCIATION; DECOMPOSITION MECHANISM; DENSITY FUNCTIONAL TIGHT BINDINGS; FIVE-MEMBERED RINGS; LOW VELOCITY IMPACT; MOLECULAR DYNAMICS SIMULATIONS; MULTI-SCALE SIMULATION; SELF CONSISTENT CHARGES;

DECOMPOSITION;

EID: 84869987934     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp309120t     Document Type: Article

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