Molecular Dynamics Simulations of Strain Engineering and Thermal Transport in Nanostructured Materials

被引：0

作者：

Park, Yumi ^{[1
]}

Zhou, Ya

Jhaveri, Janam ^{[1
]}

Strachan, Alejandro

机构：

[1] Purdue Univ, Sch Elect & Comp Engn, W Lafayette, IN 47907 USA

来源：

COMPUTING IN SCIENCE & ENGINEERING | 2010年 / 12卷 / 02期

基金：

美国国家科学基金会;

关键词：

REACTIVE FORCE-FIELD; SILICON; CONDUCTIVITY;

D O I：

10.1109/MCSE.2010.44

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

Given the large surface-to-volume ratio of nanoscale and nanostructured materials and devices, their performance is often dominated by processes occurring at free surfaces or interfaces. By connecting a material's atomic structure and thermo-mechanical response, molecular dynamics is helping researchers better understand and quantify these processes. © 2006 IEEE.

引用

页码：36 / 42

页数：7

共 50 条

[21] Anisotropic Thermal Transport in Organic Molecular Crystals from Nonequilibrium Molecular Dynamics Simulations
Wang, Dong
Tang, Ling
Long, Mengqiu
Shuai, Zhigang
JOURNAL OF PHYSICAL CHEMISTRY C, 2011, 115 (13): : 5940 - 5946
[22] STRESS-STRAIN ANALYSIS OF POLYMERIC MATERIALS BY MOLECULAR-DYNAMICS SIMULATIONS
QIAN, CB
LUDOVICE, PJ
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1992, 203 : 577 - POLY
[23] STRESS-STRAIN ANALYSIS OF POLYMERIC MATERIALS BY MOLECULAR-DYNAMICS SIMULATIONS
QIAN, CB
LUDOVICE, PJ
MAKROMOLEKULARE CHEMIE-MACROMOLECULAR SYMPOSIA, 1993, 65 : 123 - 132
[24] Nonequilibrium molecular dynamics simulations of transport and separation of gas mixtures in nanoporous materials
Xu, LF
Sahimi, M
Tsotsis, TT
PHYSICAL REVIEW E, 2000, 62 (05) : 6942 - 6948
[25] Effects of cutoff functions of Tersoff potentials on molecular dynamics simulations of thermal transport
Zhou, X. W.
Jones, R. E.
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2011, 19 (02)
[26] Molecular dynamics simulations for thermal transport behavior of InAs nanotubes: A role of symmetry
Yi, Suin
Kim, In
Pascal, Tod A.
Jung, Yousung
COMPUTATIONAL MATERIALS SCIENCE, 2013, 70 : 8 - 12
[27] Uncertainty quantification in non-equilibrium molecular dynamics simulations of thermal transport
Vohra, Manav
Nobakht, Ali Yousefzadi
Shin, Seungha
Mahadevan, Sankaran
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER, 2018, 127 : 297 - 307
[28] Molecular dynamics simulations of thermal transport at the nanoscale solid-liquid interface
Kou, Zhihai
Bai, Minli
Zhao, Guochang
ADVANCES IN ENERGY SCIENCE AND TECHNOLOGY, PTS 1-4, 2013, 291-294 : 1999 - +
[29] Molecular-dynamics simulations of thermal transport in carbon nanotubes with structural defects
Yamamoto, Naoaki Kondo Takahiro
Watanabe, Kazuyuki
E-JOURNAL OF SURFACE SCIENCE AND NANOTECHNOLOGY, 2006, 4 : 239 - 243
[30] Exploring thermal interface materials for electronics via molecular dynamics simulations: A review
Zhang, Muxing
Zhao, Guihao
Zhao, Yang
Chen, Xuemei
Li, Qiang
MATERIALS TODAY COMMUNICATIONS, 2024, 41

← 1 2 3 4 5 →