Development of a ReaxFF reactive force field for ammonium nitrate and application to shock compression and thermal decomposition

Journal of Physical Chemistry A

Volumn 118, Issue 8, 2014, Pages 1469-1478

  Shan, Tzu Ray ^a   Van Duin, Adri C T ^b   Thompson, Aidan P ^a  

^a SANDIA NATIONAL LABORATORIES   (United States)

^b The Pennsylvania State University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DECOMPOSITION PATHWAY; DISSOCIATION BARRIER; ELECTRONIC STRUCTURE CALCULATIONS; PRESSURE-VOLUME CURVES; PRINCIPAL HUGONIOT; REACTIVE FORCE FIELD; SHOCK COMPRESSIONS; STRUCTURE PROPERTY;

DECOMPOSITION; ELECTRONIC STRUCTURE; IMPEDANCE MATCHING (ACOUSTIC); ISOTHERMS;

NITRATES;

EID: 84897670431     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp408397n     Document Type: Article

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