Design and discovery of materials guided by theory and computation

被引：39

作者：

Chen, Long-Qing ^{[1
]}

Chen, Li-Dong ^{[2
]}

Kalinin, Sergei V. ^{[3
]}

Klimeck, Gerhard ^{[4
]}

Kumar, Sanat K. ^{[5
]}

Neugebauer, Joerg ^{[6
]}

Terasaki, Ichiro ^{[7
]}

机构：

[1] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA

[2] Chinese Acad Sci, Shanghai Inst Ceram, Shanghai, Peoples R China

[3] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN USA

[4] Purdue Univ, Dept Elect & Comp Engn, W Lafayette, IN 47907 USA

[5] Columbia Univ, Dept Chem Engn, New York, NY USA

[6] Max Planck Inst, Dept Computat Mat Design, Dusseldorf, Germany

[7] Nagoya Univ, Dept Phys, Nagoya, Aichi, Japan

来源：

NPJ COMPUTATIONAL MATERIALS | 2015年 / 1卷

关键词：

D O I：

10.1038/npjcompumats.2015.7

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页数：2

共 12 条

[1] STUDIES IN MOLECULAR DYNAMICS .1. GENERAL METHOD [J].

ALDER, BJ ;

WAINWRIGHT, TE .

JOURNAL OF CHEMICAL PHYSICS, 1959, 31 (02) :459-466

[2]

Binder K., 1995, MONTE CARLO METHOD C

[3] Phase-field simulation of solidification [J].

Boettinger, WJ ;

Warren, JA ;

Beckermann, C ;

Karma, A .

ANNUAL REVIEW OF MATERIALS RESEARCH, 2002, 32 :163-194

[4] Phase-field models for microstructure evolution [J].

Chen, LQ .

ANNUAL REVIEW OF MATERIALS RESEARCH, 2002, 32 :113-140

[5]

Committee on Integrated Computational Materials Engineering National Materials Advisory Board Division on Engineering and Physical Sciences National Research Council, 2018, INTEGRATED COMPUTATI

[6]

Horstemeyer M. F., 2011, INTEGRATED COMPUTATI

[7]

N. Science T. Council, 2011, MAT GEN IN GLOB COMP

[8] Designing a new material world [J].

Olson, GB .

SCIENCE, 2000, 288 (5468) :993-+

[9]

Provatas N., 2010, Phase-Field Methods in Materials Science and Engineering, DOI [DOI 10.1002/9783527631520, 10.1002/9783527631520]

[10] CORRELATIONS IN MOTION OF ATOMS IN LIQUID ARGON [J].

RAHMAN, A .

PHYSICAL REVIEW, 1964, 136 (2A) :A405-+

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