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北京大学 [13]

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期刊论文 [13]

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浏览/检索结果: 共13条，第1-10条

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限定条件	专题：北京大学第一署名单位第一作者单位通讯作者单位

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	Theoretical study of the phonon-phonon scattering mechanism and the thermal conductive coefficients for energetic material 期刊论文 PHILOSOPHICAL MAGAZINE, 2017 Long, Yao; Chen, Jun 收藏 \| 浏览/下载：4/0 \| 提交时间：2017/12/03 Phonon-phonon interaction phonon lifetime thermal conductive tensor MOLECULAR-DYNAMICS SIMULATIONS BRILLOUIN-ZONE INTEGRATIONS SPOT IGNITION MECHANISMS AUGMENTED-WAVE METHOD SPECIAL POINTS 1,3,5-TRIAMINO-2,4,6-TRINITROBENZENE CRYSTAL EXPLOSIVES LIQUID HMX
	Theoretical Study of the Interfacial Force-Field, Thermodynamic Property, and Heat Stress for Plastic Bonded Explosives 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY C, 2017 Long, Yao; Chen, Jun 收藏 \| 浏览/下载：10/0 \| 提交时间：2017/12/03 MOLECULAR-DYNAMICS SIMULATIONS BRILLOUIN-ZONE INTEGRATIONS AUGMENTED-WAVE METHOD ENERGETIC MATERIALS DESENSITIZING MECHANISM ATOMISTIC SIMULATION SPECIAL POINTS ALL-ATOM REAXFF STATE
	The force-field derivation and application of explosive/additive interfaces 期刊论文 MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2016 Long, Yao; Chen, Jun 收藏 \| 浏览/下载：5/0 \| 提交时间：2017/12/03 RDX/polymer interface force-field mixture explosive interfacial thermal stress MOLECULAR-DYNAMICS SIMULATIONS BRILLOUIN-ZONE INTEGRATIONS AUGMENTED-WAVE METHOD CYCLOTRIMETHYLENE-TRINITRAMINE ATOMISTIC SIMULATION ELASTIC-CONSTANTS SPECIAL POINTS ALL-ATOM CHEMISTRY REAXFF
	Theoretical study of the thermodynamic properties, phase transition wave, and phase transition velocity for octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine 期刊论文 JOURNAL OF APPLIED PHYSICS, 2015 Long, Yao; Chen, Jun 收藏 \| 浏览/下载：6/0 \| 提交时间：2017/12/03 MOLECULAR-DYNAMICS SIMULATION BRILLOUIN-ZONE INTEGRATIONS ENERGY DENSITY MATERIAL DELTA-PHASE CRYSTAL-STRUCTURE HMX OCTAHYDRO-1,3,5,7-TETRANITRO-1,3,5,7-TETRAZOCINE CYCLOTETRAMETHYLENE TETRANITRAMINE MECHANICAL-PROPERTIES THERMAL-EXPANSION SPECIAL POINTS
	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
	FHI-gap: A GW code based on the all-electron augmented plane wave method 期刊论文计算机物理学通讯, 2013 Jiang, Hong; Gomez-Abal, Ricardo I.; Li, Xin-Zheng; Meisenbichler, Christian; Ambrosch-Draxl, Claudia; Scheffler, Matthias 收藏 \| 浏览/下载：3/0 \| 提交时间：2015/11/11 Many-body perturbation theory GW approach LAPW method Quasi-particles BRILLOUIN-ZONE INTEGRATIONS DENSITY-FUNCTIONAL THEORY SPACE-TIME METHOD LATTICE SUMS LDA+U METHOD SELF-ENERGY EXCHANGE SEMICONDUCTORS SYSTEMS SOLIDS
	Evolutionary Chlorination of Graphene: From Charge-Transfer Complex to Covalent Bonding and Nonbonding 期刊论文 journal of physical chemistry c, 2012 Yang, Mingmei; Zhou, Lin; Wang, Jinying; Liu, Zhongfan; Liu, Zhirong 收藏 \| 浏览/下载：3/0 \| 提交时间：2015/11/10 BRILLOUIN-ZONE INTEGRATIONS DENSITY-FUNCTIONAL THEORY AUGMENTED-WAVE METHOD SYSTEMS FLUORINATION ADSORPTION
	First-principles study of ground state properties of ZrH2 期刊论文 computational materials science, 2011 Zhang, Peng; Wang, Bao-Tian; He, Chao-Hui; Zhang, Ping 收藏 \| 浏览/下载：3/0 \| 提交时间：2015/11/12 First-principle calculation Elastic constants Electronic structure Phonon dispersions BRILLOUIN-ZONE INTEGRATIONS ELECTRONIC-STRUCTURE ZIRCONIUM HYDRIDE TEMPERATURE GRADIENT CRYSTAL NMR TI
	One-pot synthesis of BiSbO4 nanophotocatalyst with enhanced visible-light performance 期刊论文 crystengcomm, 2011 Wu, Jianjun; Huang, Fuqiang; Lue, Xujie; Chen, Ping 收藏 \| 浏览/下载：3/0 \| 提交时间：2015/11/13 BRILLOUIN-ZONE INTEGRATIONS PHOTOCATALYTIC ACTIVITY WATER DECOMPOSITION D(10) CONFIGURATION IRRADIATION OXIDES SEMICONDUCTORS DEGRADATION METAL
	Improved visible-light photocatalysis of nano-Bi2Sn2O7 with dispersed s-bands 期刊论文材料化学杂志, 2011 Wu, Jianjun; Huang, Fuqiang; Lue, Xujie; Chen, Ping; Wan, Dongyun; Xu, Fangfang 收藏 \| 浏览/下载：6/0 \| 提交时间：2015/11/10 BRILLOUIN-ZONE INTEGRATIONS STRUCTURAL-PROPERTIES D(10) CONFIGURATION WATER DECOMPOSITION METHYLENE-BLUE DEGRADATION IRRADIATION NANOSTRUCTURES NANOCRYSTALS OXIDES

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