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浏览/检索结果: 共5条，第1-5条 帮助 已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Phase Transition in Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) under Static Compression: An Application of the First-Principles Method Specialized for CHNO Solid Explosives 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY B, 2016 Zhang, Lei; Jiang, Sheng-Li; Yu, Yi; Long, Yao; Zhao, Han-Yue; Peng, Li-Juan; Chen, Jun 收藏  |  浏览/下载：2/0  |  提交时间：2017/12/03 EQUATION-OF-STATE  PENTAERYTHRITOL TETRANITRATE PETN  MOLECULAR-DYNAMICS SIMULATION  MINIMUM ENERGY PATHS  ELASTIC BAND METHOD  BETA-HMX  CRYSTAL-STRUCTURE  HIGH-PRESSURE  CYCLOTETRAMETHYLENE TETRANITRAMINE  TEMPERATURE-DEPENDENCE   Theoretical study of phonon density of states, thermodynamic properties and phase transitions for HMX 期刊论文 philosophical magazine, 2014 Long, Yao; Chen, Jun 收藏  |  浏览/下载：5/0  |  提交时间：2015/11/11 GGA plus vdW  phonon density of states  thermodynamic property  Hugoniot curve  phase transition  BETA-CYCLOTETRAMETHYLENE TETRANITRAMINE  MOLECULAR-DYNAMICS SIMULATIONS  BRILLOUIN-ZONE INTEGRATIONS  FORCE-FIELD DERIVATION  AUGMENTED-WAVE METHOD  ENERGETIC MATERIALS  THERMAL-CONDUCTIVITY  CRYSTAL-STRUCTURE  MECHANICAL-PROPERTIES  ATOMISTIC SIMULATION   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 N. N. Ge; Y. K. Wei; G. F. Ji; X. R. Chen; F. Zhao; D. Q. Wei 收藏  |  浏览/下载：17/0  |  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   The pressure-induced phase transition of the solid -HMX 期刊论文 Molecular Physics, 2009, 卷号: 107, 期号: 22, 页码: 2373-2385 L. Y. Lu; D. Q. Wei; X. R. Chen; G. F. Ji; X. J. Wang; J. Chang; Q. M. Zhang; Z. Z. Gong 收藏  |  浏览/下载：15/0  |  提交时间：2012/04/13 -HMX crystal  octahydro-1  molecular dynamics  3  high pressure compression  5  phase  7-tetranitr  transition  vibrational frequencies  beta-cyclotetramethylene tetranitramine  molecular-dynamics simulations  compass force-field  vibrational-spectra  crystal structure   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 L. Y. Lu; D. Q. Wei; X. R. Chen; D. Lian; G. F. Ji; Q. M. Zhang; Z. Z. Gong 收藏  |  浏览/下载：20/0  |  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