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基于第一原理计算拟合Ag、Si和C原子间作用势的研究 期刊论文
华东师范大学学报(自然科学版), 2017, 期号: 4, 页码: "114-125"
Authors:  王永伟;  郭永亮;  张伟;  柯学志
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Tersoff势  力匹配  Sic  第一性原理计算  
Pressure-induced structural transformations and polymerization in ThC2 期刊论文
SCIENTIFIC REPORTS, 2017, 卷号: 7, 页码: -
Authors:  Guo, YL;  Yu, C;  Lin, J;  Wang, CY;  Ren, CL;  Sun, BX;  Huai, P;  Xie, RB;  Ke, XZ;  Zhu, ZY;  Xu, HJ
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Structural Phase Transition of ThC Under High Pressure 期刊论文
SCIENTIFIC REPORTS, 2017, 卷号: 7, 页码: -
Authors:  Yu, C;  Lin, J;  Huai, P;  Guo, YL;  Ke, XZ;  Yu, XH;  Yang, K;  Li, NN;  Yang, WG;  Sun, BX;  Xie, RB;  Xu, HJ
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Structural and electronic phase transitions of ThS2 from first-principles calculations 期刊论文
PHYSICAL REVIEW B, 2016, 卷号: 94, 期号: 13, 页码: -
Authors:  Guo, YL;  Wang, CY;  Qiu, WJ;  Ke, XZ;  Huai, P;  Cheng, C;  Zhu, ZY;  Chen, CF;  Ke, XZ (reprint author), East China Normal Univ, Inst Theoret Phys, Dept Phys, Shanghai 200241, Peoples R China.
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A new phase of ThC at high pressure predicted from a first-principles study 期刊论文
PHYSICS LETTERS A, 2015, 卷号: 379, 期号: 26-27, 页码: 1607—1611
Authors:  Guo, YL;  Qiu, WJ;  Ke, XZ;  Huai, P;  Cheng, C;  Han, H;  Ren, CL;  Zhu, ZY
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Crystal-structure Prediction  Total-energy Calculations  Thorium Monocarbide Thc  Augmented-wave Method  Equation-of-state  Ab-initio  Basis-set  Carbide  Transitions  Principles  
Fluorine interaction with defects on graphite surface by a first-principles study 期刊论文
APPLIED SURFACE SCIENCE, 2014, 卷号: 292, 页码: 488—493
Authors:  Wang, S;  Ke, XZ;  Zhang, W;  Gong, WB;  Huai, P;  Zhang, WQ;  Zhu, ZY;  xzke@phy.ecnu.edu.cn
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Minimum Energy Paths  Elastic Band Method  Saddle-points  Carbon  Graphene  Products  
Lattice dynamics and lattice thermal conductivity of thorium dicarbide 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2014, 卷号: 454, 期号: 42007, 页码: 142—148
Authors:  Liao, ZM;  Huai, P;  Qiu, WJ;  Ke, XZ;  Zhang, WQ;  Zhu, ZY;  huaiping@sinap.ac.cn;  xzke@phy.ecnu.edu.cn
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Total-energy Calculations  Wave Basis-set  Crystal-structures  Monocarbide Thc  1st-principles  
Strain-controlled interface engineering of binding and charge doping at metal-graphene contacts 期刊论文
APPLIED PHYSICS LETTERS, 2013, 卷号: 103, 期号: 14
Authors:  Gong, Wenbin;  Zhang, Wei;  Ren, Cuilan;  Ke, Xuezhi;  Wang, Song;  Huai, Ping;  Zhang, Wenqing;  Zhu, Zhiyuan
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低能碳原子通过单壁碳纳米管的计算机模拟研究 期刊论文
核技术, 2005, 期号: 04
Authors:  丁印锋,张志滨,柯学志,朱志远,朱德彰,王震遐,徐洪杰;  丁印锋
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分子动力学(Md)模拟  单壁碳纳米管  
C_20_富勒烯的Ar_离子辐照合成 期刊论文
物理学报, 2000, 期号: 05
Authors:  王震遐;  柯学志;  朱志远;  朱福英;  王玟珉;  俞国庆;  阮美龄;  陈宏;  黄荣彬;  郑兰荪
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