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论文作者: Cai J(Cai, Jun)

论文发表年限: 2016

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Title:

1.Structure of Graphene, and Mechanical and Bonding Characteristics of Single Wall Carbon Nanotube by Linear Scaling Quantum Mechanical Method

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Structure of Graphene, and Mechanical and Bonding Characteristics of Single Wall Carbon Nanotube by Linear Scaling Quantum Mechanical Method

作者: Cai J (Cai, Jun)1, Li GQ (Li, Guiqin)2, Wang CY (Wang, Chongyu)2, Xie ZY (Xie, Zhiyong)3

来源出版物: JOURNAL OF MATERIALS SCIENCE &, TECHNOLOGY卷: 26期: 7页: 614-618出版年: JUL 2016

被引频次: 0 参考文献: 20 引证关系图

文献类型: Article

语言: English

作者关 键 词 : Single walled nanotube tube, Young's modulus, Linear scaling method, Density functional tight-binding

KeyWords Plus: TIGHT-BINDING METHOD, YOUNGS MODULUS, PSEUDOPOTENTIALS, SIMULATIONS, DYNAMICS, ELEMENTS, DENSITY

通讯作者地址: Cai, J (通讯作者), N China Elect Power Univ, Sch Nucl Sci &, Engn, Beijing 102206, Peoples R China

地址:

1. N China Elect Power Univ, Sch Nucl Sci &, Engn, Beijing 102206, Peoples R China

2. Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China

3. N China Elect Power Univ, Dept Mat Sci &, Engn, Beijing 102206, Peoples R China

电子邮件地址: caijun@ncepu.edu.

基金资助致谢:

基金资助机构 授权号

Scientific Foundation for Returned Overseas Chinese Scholars, Ministry of Education

Program for Changjing Scholars and Innovative Research Team in UniversityPSCIRT 0720

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Discussions with Prof. W.T. Yang and Dr. Z.Y. Lu, Department of Chemistry, Duke University, on the use of a divide-and-conquer SCC-DFTB program are acknowledged. We thank Prof. W.T. Yang for providing us with the divide-and conquer SCC-DFTB package. Jun Cai thanks the project sponsored by Scientific Foundation for Returned Overseas Chinese Scholars, Ministry of Education and the support by Program for Changjing Scholars and Innovative Research Team in University (PSCIRT 0720).

出版商: JOURNAL MATER SCI TECHNOL, 72 WENHUA RD, SHENYANG 110015, PEOPLES R CHINA

学科类别: Materials Science, Multidisciplinary, Metallurgy &, Metallurgical Engineering

IDS 号: 640MP

ISSN: 1005-0302