【10772062】半导体异质结中失配位错演化的第一性原理和分子动力学耦合模拟计算国家自然基金项目

半导体异质结中失配位错演化的第一性原理和分子动力学耦合模拟计算

项目批准号： 10772062

批准年份： 2007

学科分类： A1101.固体物理力学与流体物理力学

项目负责人：孟庆元

资助类别：面上项目

负责人职称：教授

依托单位：哈尔滨工业大学

资助金额： 26万元

关键词：失配位错;应变释放机理。;第一性原理;分子动力学;半导体异质结

起止时间： 2008-01-01到2010-12-31

中英文摘要
结题摘要
结题报告
项目成果
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序号	标题	类型	作者
1	Molecular simulation for migration characteristics of kink-reconstruction defect complex on 30 partial dislocation in silicon	期刊论文	Meng, Qingyuan\|Wang, Qingsheng\|
2	Au快速凝固及晶体生长的分子动力学模拟	期刊论文	李成祥\|孟庆元\|杨立军\|
3	Comparative study of the empirical interatomic potentials and density-functional simulations of divacancy and hexavacancy in silicon	期刊论文	Meng, Qingyuan\|Wang, Chaoying\|Wang, Zhenqing\|
4	Molecular dynamics simulation of high-speed solidification and crystal growth of gold (Au)	期刊论文	Li, Cheng-Xiang\|Yang, Li-Jun\|Meng, Qing-Yuan\|
5	Molecular dynamics simulations of the tensile and melting behaviours of silicon nanowires	期刊论文	Jing, Yuhang\|Zhao, Wei\|Meng, Qingyuan\|
6	Computer simulation of the vacancy defects interaction with shuffle dislocation in silicon	期刊论文	Meng, Qingyuan\|Li, Chengxiang\|
7	Atomistic simulations of the tensile and melting behavior of silicon nanowires	期刊论文	Zhao, Wei\|Meng, Qingyuan\|Jing, Yuhang\|
8	Molecular dynamics simulations of the interaction between 60 dislocation and self-interstitial cluster in silicon	期刊论文	Zhao, Wei\|Meng, Qingyuan\|Jing, Yuhang\|
9	Interaction of Ethanethiol with Defective Graphene: First-Principles Calculations.	会议论文	Xian Qin\|Wei Zhao\|Qingyuan Meng\|
10	Computer simulation of the 60 degrees dislocation interaction with vacancy cluster in silicon	期刊论文	Li, Chengxiang\|Zhong, Kangyou\|Wang, Chaoying\|Meng, Qingyuan\|
11	Comparative study of the first-principles and empirical potential simulation of vacancies in silicon	期刊论文	Wang Chao-Ying\|Wang Zhen-Qing\|Meng Qing-Yuan\|
12	Molecular dynamics simulation on the buckling behavior of silicon nanowires under uniaxial compression	期刊论文	Jing, Yuhang\|Meng, Qingyuan\|Gao, Yufei\|
13	Si中30°部分位错弯结-重构缺陷运动特性的分子模拟	期刊论文	孟庆元\|王庆盛\|
14	温度、应变率和空位缺陷对氮化硼纳米管压缩性能的影响	期刊论文	荆宇航\|孟庆元\|
15	Atomistic Simulations of Bauschinger Effect on Silicon Nanowire	期刊论文	Meng Qing-Yuan\|Jing Yu-Hang\|
16	Molecular dynamics simulation of the interaction between 30 partial dislocation and monovacancy in Si	期刊论文	Wang, Yuntao\|Meng, Qingyuan\|Wang, Chaoying\|
17	Si中30°部分位错和单空位相互作用的分子动力学模拟	期刊论文	王超营\|孟庆元\|王云涛\|
18	Atomic simulations of the dynamic properties of the 30 degrees partial dislocation in Si crystal	期刊论文	Yang, Zhi-fu\|Wang, Chao-ying\|Zhong, Kang-you\|Meng, Qing-yuan\|
19	ATOMISTIC STUDY OF THE STRENGTH AND ELASTIC CONSTANTS OF PERFECT AND DEFECTED SILICON	期刊论文	Zhong, Kang-You\|Meng, Qing-Yuan\|Li, Cheng-Xiang\|
20	Molecular simulation on migration of kinks on a 30 partial dislocation in silicon	期刊论文	Meng, Qingyuan\|Zhong, Kangyou\|Wang, Chaoying\|Yang, Zhifu\|Li, Chengxiang\|
21	Molecular dynamics simulations of the mechanical properties of crystalline/amorphous silicon core/shell nanowires	期刊论文	Jing, Yuhang\|Meng, Qingyuan\|
22	Atomic simulation of the 30 partial dislocation interaction with divacancy in silicon	期刊论文	Wang, Chaoying\|Meng, Qingyuan\|
23	Compression of BN nanotubes: A molecular dynamics study	期刊论文	Jing, Yuhang\|Meng, Qingyuan\|
24	Molecular dynamics simulation of annihilation of 60 degrees dislocations in Si crystals	期刊论文	Wang, Qingsheng\|Meng, Qingyuan\|
25	Buckling of Ge nanowires under uniaxial compression	会议论文	Meng, Qingyuan\|Jing, Yuhang\|
26	单壁氮化硼纳米管压缩特性的分子动力学模拟	期刊论文	荆宇航\|孟庆元\|
27	Si中30度部分位错弯结运动特性的分子模拟	期刊论文	李成祥\|孟庆元\|钟康游\|杨志伏\|王超营\|
28	一维纳米材料导热性能的分子动力学模拟	期刊论文	孟庆元\|高宇飞\|

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