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Initial Decomposition of the Condensed-Phase beta-HMX under Shock Waves: Molecular Dynamics Simulations 期刊论文
Journal of Physical Chemistry B, 2012, 卷号: 116, 期号: 46, 页码: 13696-13704
作者:  N. N. Ge;  Y. K. Wei;  G. F. Ji;  X. R. Chen;  F. Zhao;  D. Q. Wei
收藏  |  浏览/下载：114/0  |  提交时间：2013/02/05
Equation-of-state  Octahydro-1  Ab-initio  3  Thermal-decomposition  5  Alpha-hmx  7-tetranitro-1  Gas-phase  3  High-pressure  5  7-tetrazocine Hmx  Cyclotetramethylene-tetranitramine  Unimolecular Decomposition  Crystal  Structure  
First-Principles Study of High-Pressure Behavior of Solid beta-HMX 期刊论文
Journal of Physical Chemistry A, 2010, 卷号: 114, 期号: 2, 页码: 1082-1092
作者:  H. L. Cui;  G. F. Ji;  X. R. Chen;  W. H. Zhu;  F. Zhao;  Y. Wen;  D. Q. Wei
Adobe PDF(1463Kb)  |  收藏  |  浏览/下载：140/0  |  提交时间：2012/04/13
Equation-of-state  Octahydro-1  Total-energy Calculations  3  Electronic-structure  5  Molecular-dynamics  7-tetranitro-1  Ab-initio  3  5  7-tetrazocine Hmx  Hydrostatic  Compression  Crystal Structure  Phase-transition  Delta-phase  
Phase Transitions and Mechanical Properties of Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine in Different Crystal Phases by Molecular Dynamics Simulation 期刊论文
Journal of Chemical and Engineering Data, 2010, 卷号: 55, 期号: 9, 页码: 3121-3129
作者:  H. L. Cui;  G. F. Ji;  X. R. Chen;  Q. M. Zhang;  D. Q. Wei;  F. Zhao
Adobe PDF(2299Kb)  |  收藏  |  浏览/下载：79/0  |  提交时间：2012/04/13
Polymer-bonded Explosives  1  Equation-of-state  3  Ab-initio  5  Beta-hmx  7-tetranitro-1  3  5  Elastic Properties  7-tetraazacyclooctane Hmx  Solid Hmx  Pressure  Temperature  Compression  
The first principle studies of the structural and vibrational properties of solid -HMX under compression 期刊论文
Molecular Physics, 2008, 卷号: 106, 期号: 21-23, 页码: 2569-2580
作者:  L. Y. Lu;  D. Q. Wei;  X. R. Chen;  D. Lian;  G. F. Ji;  Q. M. Zhang;  Z. Z. Gong
Adobe PDF(1067Kb)  |  收藏  |  浏览/下载：107/0  |  提交时间：2012/04/13
-hmx Crystal  1  First Principles Calculations  3  Structure And Vibrational  5  Frequencies Under Compression  7-tetranitro-1  Beta-cyclotetramethylene Tetranitramine  3  Generalized Gradient  5  Approximation  7-te  Molecular-dynamics Simulations  Electronic-structure