Atomistic Statics Approaches-Molecular Mechanics, Finite Element Method and Continuum Analysis

被引：5

作者：

Liu, Bin ^{[1
,2
]}

Zhang, Zuoqi ^{[1
]}

Chen, Yuli ^{[1
]}

机构：

[1] Tsinghua Univ, Dept Engn Mech, Beijing 100084, Peoples R China

[2] Dalian Univ Technol, State Key Lab Struct Anal Ind Equipment, Dalian 116023, Peoples R China

来源：

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE | 2008年 / 5卷 / 09期

关键词：

Atomistic Simulation; Statics; Molecular Mechanics; Finite Element Method; Continuum Analysis;

D O I：

10.1166/jctn.2008.904

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The computational studying on atomic systems becomes more and more important in the nanotechnology and nanoscience. In this review, a number of existing and emerging atomistic statics approaches are introduced and discussed, and several examples are also included. By comparison, we investigate the advantages and applicabilities of different methods, and attempt to establish a guide for choosing proper atomistic computational method for a specific problem.

引用

页码：1891 / 1913

页数：23

共 88 条

[1] Simulating materials failure by using up to one billion atoms and the world's fastest computer: Work-hardening
Abraham, FF
Walkup, R
Gao, HJ
Duchaineau, M
De la Rubia, TD
Seager, M
[J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2002, 99 (09) : 5783 - 5787
[2] Simulating materials failure by using up to one billion atoms and the world's fastest computer: Brittle fracture
Abraham, FF
Walkup, R
Gao, HJ
Duchaineau, M
De la Rubia, TD
Seager, M
[J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2002, 99 (09) : 5777 - 5782
[3] A finite deformation membrane based on inter-atomic potentials for the transverse mechanics of nanotubes
Arroyo, M
Belytschko, T
[J]. MECHANICS OF MATERIALS, 2003, 35 (3-6) : 193 - 215
[4] An atomistic-based finite deformation membrane for single layer crystalline films
Arroyo, M
Belytschko, T
[J]. JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS, 2002, 50 (09) : 1941 - 1977
[5] Bathe K. J., 1976, NUMERICAL METHODS FI
[6] Born M., 1954, DYNAMICAL THEORY CRY
[7] Deformation of carbon nanotubes in nanotube-polymer composites
Bower, C
Rosen, R
Jin, L
Han, J
Zhou, O
[J]. APPLIED PHYSICS LETTERS, 1999, 74 (22) : 3317 - 3319
[8] EMPIRICAL POTENTIAL FOR HYDROCARBONS FOR USE IN SIMULATING THE CHEMICAL VAPOR-DEPOSITION OF DIAMOND FILMS
BRENNER, DW
[J]. PHYSICAL REVIEW B, 1990, 42 (15): : 9458 - 9471
[9] A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons
Brenner, DW
Shenderova, OA
Harrison, JA
Stuart, SJ
Ni, B
Sinnott, SB
[J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 2002, 14 (04) : 783 - 802
[10] Buckling of multiwalled carbon nanotubes under axial compression and bending via a molecular mechanics model
Chang, TC
Guo, WL
Guo, XM
[J]. PHYSICAL REVIEW B, 2005, 72 (06)

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