Observation of deflagration wave in energetic materials using reactive molecular dynamics

Combustion and Flame ◽

10.1016/j.combustflame.2017.05.009 ◽

2017 ◽

Vol 184 ◽

pp. 20-29 ◽

Author(s):

Kaushik Joshi ◽

Santanu Chaudhuri

Keyword(s):

Molecular Dynamics ◽

Energetic Materials ◽

Reactive Molecular Dynamics ◽

Deflagration Wave

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Coupling Effect of Shock, Heat, and Defect on the Decay of Energetic Materials: A Case of Reactive Molecular Dynamics Simulations on 1,3,5-Trinitro-1,3,5-triazinane

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.8b09170 ◽

2018 ◽

Vol 122 (49) ◽

pp. 27875-27884 ◽

Author(s):

Chuan Deng ◽

Jian Liu ◽

Xianggui Xue ◽

Xinping Long ◽

Chaoyang Zhang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Energetic Materials ◽

Coupling Effect ◽

Reactive Molecular Dynamics ◽

Dynamics Simulations

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Reactive molecular dynamics insight into the influence of volume filling degree on the thermal explosion of energetic materials and its origin

Energetic Materials Frontiers ◽

10.1016/j.enmf.2020.11.003 ◽

2020 ◽

Author(s):

Kai Zhong ◽

Ying Xiong ◽

Chaoyang Zhang

Keyword(s):

Molecular Dynamics ◽

Thermal Explosion ◽

Energetic Materials ◽

Volume Filling ◽

Filling Degree ◽

Reactive Molecular Dynamics ◽

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ReaxFF Reactive Molecular Dynamics: Coupling Mechanical Impact to Chemical Initiation in Energetic Materials

2010 DoD High Performance Computing Modernization Program Users Group Conference ◽

10.1109/hpcmp-ugc.2010.77 ◽

2010 ◽

Author(s):

Sergey V. Zybin ◽

Peng Xu ◽

Qi An ◽

William A. Goddard III

Keyword(s):

Molecular Dynamics ◽

Energetic Materials ◽

Mechanical Impact ◽

Reactive Molecular Dynamics

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Reactive Molecular Dynamics of Shock- and Shear-Induced Chemistry in Energetic Materials for Future Force Insensitive Munitions

2009 DoD High Performance Computing Modernization Program Users Group Conference ◽

10.1109/hpcmp-ugc.2009.39 ◽

2009 ◽

Author(s):

Sergey V. Zybin ◽

William A. Goddard III ◽

Peng Xu ◽

Joanne Budzien ◽

Aidan Thompson

Keyword(s):

Molecular Dynamics ◽

Energetic Materials ◽

Reactive Molecular Dynamics ◽

Insensitive Munitions

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Thermal Decomposition of Energetic Materials by ReaxFF Reactive Molecular Dynamics

10.1063/1.2263391 ◽

2006 ◽

Author(s):

Luzheng Zhang

Keyword(s):

Molecular Dynamics ◽

Thermal Decomposition ◽

Energetic Materials ◽

Reactive Molecular Dynamics

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CCC7-119 Reactive Molecular Dynamics Simulations of Hot Spot Growth in Shocked Energetic Materials

10.2172/1177387 ◽

2015 ◽

Author(s):

Aidan P. Thompson

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Energetic Materials ◽

Hot Spot ◽

Reactive Molecular Dynamics ◽

Dynamics Simulations

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Reaction Mechanism of Embedding Oxidizing Small Molecules in Energetic Materials to Improve the Energy by Reactive Molecular Dynamics Simulations

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.9b09070 ◽

2019 ◽

Vol 123 (48) ◽

pp. 29144-29154 ◽

Author(s):

Yiwen Xiao ◽

Lang Chen ◽

Deshen Geng ◽

Kun Yang ◽

Jianying Lu ◽

...

Keyword(s):

Molecular Dynamics ◽

Reaction Mechanism ◽

Small Molecules ◽

Molecular Dynamics Simulations ◽

Energetic Materials ◽

Reactive Molecular Dynamics ◽

Dynamics Simulations

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Reactive molecular dynamics simulations of hot spot growth in shocked energetic materials CCC8-133.

10.2172/1214250 ◽

2015 ◽

Author(s):

Tzu -Ray Shan

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Energetic Materials ◽

Hot Spot ◽

Reactive Molecular Dynamics ◽

Dynamics Simulations

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Coarse-Grained Reactive Molecular Dynamics Simulations of Heterogeneities in Shocked Energetic Materials: LDRD Final Report.

10.2172/1733244 ◽

2016 ◽

Author(s):

Aidan Thompson

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Energetic Materials ◽

Coarse Grained ◽

Final Report ◽

Reactive Molecular Dynamics ◽

Dynamics Simulations

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FIRST-PRINCIPLES REACTIVE MOLECULAR DYNAMICS OF CHEMISTRY IN DETONATING ENERGETIC MATERIALS

10.1063/1.2833092 ◽

2008 ◽

Author(s):

A. Landerville ◽

I. I. Oleynik ◽

M. A. Kozhushner ◽

C. T. White ◽

Mark Elert ◽

...

Keyword(s):

Molecular Dynamics ◽

First Principles ◽

Energetic Materials ◽

Reactive Molecular Dynamics

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