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反应分子动力学模拟揭示CL-20共晶热分解全景式反应机理
学位论文
: 中国科学院大学, 2020
作者:
任春醒
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  |  
浏览/下载:15/0
  |  
提交时间:2021/09/07
反应分子动力学reaxff Md,Cl-20共晶,Cl-20主客体含能材料,热分解反应机理,组分间相互作用
Proteome and Transcriptome Analysis of Ovary, Intersex Gonads, and Testis Reveals Potential Key Sex Reversal/Differentiation Genes and Mechanism in Scallop Chlamys nobilis
期刊论文
MARINE BIOTECHNOLOGY, 2018, 卷号: 20, 期号: 2, 页码: 220-245
作者:
Shi, Y
;
Liu, WG
;
He, MX
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浏览/下载:28/0
  |  
提交时间:2018/08/24
Hierarchical multiscale simulations of crystalline beta-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (beta-HMX): Generalized interpolation material point method simulations of brittle fracture using an elastodamage model derived from molecula
期刊论文
2nd International Conference on Damage Mechanics (ICDM), 2017, 卷号: 26, 页码: 293-313
作者:
Jiang, Shan
;
Tao, Jun
;
Sewell, Thomas D.
;
Chen, Zhen
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浏览/下载:9/0
  |  
提交时间:2019/12/02
Anisotropy
brittle failure
elastodamage
generalized interpolation material point method
molecular crystal
multiscale simulation
Initial Decomposition of Condensed-Phase 1,3,5-Triamino-2,4,6-trinitrobenzene under Shock Loading
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017
He, Zheng-Hua
;
Chen, Jun
;
Wu, Qiang
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  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
DENSITY-FUNCTIONAL CALCULATIONS
MOLECULAR-DYNAMICS SIMULATIONS
BOND-DISSOCIATION ENERGIES
HIGH-PRESSURE
NITROAROMATIC MOLECULES
THERMAL-DECOMPOSITION
ELECTRONIC-STRUCTURE
FORCE-FIELD
BETA-HMX
TATB
Compressive behavior and damage evaluation of a PBX substitute material
期刊论文
MECHANICS OF ADVANCED MATERIALS AND STRUCTURES, 2017
Chen, Lin
;
Han, Dong
;
Bai, Shu-Lin
;
Zhao, Feng
;
Chen, Jian-Kang
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  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
Compression
damage
macroscopic measurements
microstructure
polymer-bonded explosive (PBX)
POLYMER BONDED EXPLOSIVES
BETA-HMX
DEFORMATION
FAILURE
Dynamic evolutions of electron properties: A theoretical study for condensed-phase beta-HMX under shock loading
期刊论文
CHEMICAL PHYSICS LETTERS, 2017
He, Zheng-Hua
;
Chen, Jun
;
Wu, Qiang
;
Ji, Guang-Fu
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浏览/下载:5/0
  |  
提交时间:2017/12/03
DFT calculation
Shock loading
beta-HMX
Electron properties
HIGH-PRESSURE
INITIAL DECOMPOSITION
1ST-PRINCIPLES
NITROMETHANE
MECHANISM
TATB
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
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  |  
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
Special catalytic effects of intermediate-water for rapid shock initiation of beta-HMX
期刊论文
RSC ADVANCES, 2016
He, Zheng-Hua
;
Chen, Jun
;
Wu, Qiang
;
Ji, Guang-Fu
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  |  
浏览/下载:3/0
  |  
提交时间:2017/12/04
MOLECULAR-DYNAMICS SIMULATIONS
CONDENSED-PHASE DECOMPOSITION
SUPERCRITICAL WATER
THERMAL-DECOMPOSITION
AB-INITIO
ENERGETIC MATERIALS
CHEMICAL-REACTIONS
REACTION-KINETICS
REACTION ZONES
MECHANISM
A theoretical study of the stress relaxation in HMX on the picosecond time scale
期刊论文
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2015
Long, Yao
;
Chen, Jun
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
lattice vibration
molecular rotation
stress relaxation
MOLECULAR-DYNAMICS SIMULATION
SPOT IGNITION MECHANISMS
ENERGETIC MATERIALS
CRYSTAL-STRUCTURE
BETA-HMX
THERMODYNAMIC PROPERTIES
ELASTIC-CONSTANTS
HIGH-PRESSURE
EXPLOSIVES
BEHAVIOR
A molecular dynamics study of the early-time mechanical heating in shock-loaded octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine-based explosives
期刊论文
应用物理杂志, 2014
Long, Yao
;
Chen, Jun
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  |  
浏览/下载:5/0
  |  
提交时间:2015/11/11
HOT-SPOT IGNITION
ENERGETIC MATERIALS
CRYSTAL-STRUCTURE
FORCE-FIELD
PORE COLLAPSE
BETA-HMX
SIMULATIONS
INITIATION
PROPELLANTS
DETONATION
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