Friction Coefficient Calculation and Mechanism Analysis for MoS2 Nanoparticle from Molecular Dynamics Simulation

被引：12

作者：

Chen, Chuin-Shan ^{[1
]}

Cian, Hong-Jhou ^{[1
]}

Yu, Chi-Hua ^{[1
]}

Huang, Chung-Wei ^{[1
]}

机构：

[1] Natl Taiwan Univ, Dept Civil Engn, Taipei 10764, Taiwan

来源：

37TH NATIONAL CONFERENCE ON THEORETICAL AND APPLIED MECHANICS (37TH NCTAM 2013) & THE 1ST INTERNATIONAL CONFERENCE ON MECHANICS (1ST ICM) | 2014年 / 79卷

关键词：

Nano friction; MoS2; nanoparticles; tribology; lubrication; molecular dynamics; WS2; LUBRICATION; WEAR;

D O I：

10.1016/j.proeng.2014.06.388

中图分类号：

TH [机械、仪表工业];

学科分类号：

0802 ;

摘要：

We studied friction coefficients and mechanisms of MoS2 nanoparticles from molecular dynamics simulations. A covalent bond force field of molybdenum and sulfur were implemented in LAMMPS and tri- layered capsular structured MoS2 nanoparticles subjected to different amplitudes of normal stress were performed. We found average friction coefficient predicted by molecular dynamics simulations is about 0.05, agreed well with experimental measurements. In addition, when the underlying mechanisms switched from sliding to rolling, significant reduction of friction coefficients was observed. (C) 2014 Elsevier Ltd.

引用

页码：617 / 621

页数：5

共 13 条

[1]

Allen M. P., 1987, COMPUTER SIMULATION

[2] Mechanisms of ultra-low friction by hollow inorganic fullerene-like MoS2 nanoparticles [J].

Cizaire, L ;

Vacher, B ;

Le Mogne, T ;

Martin, JM ;

Rapoport, L ;

Margolin, A ;

Tenne, R .

SURFACE & COATINGS TECHNOLOGY, 2002, 160 (2-3) :282-287

[3] Well-founded selection of materials for improved wear resistance [J].

Fischer, A .

WEAR, 1996, 194 (1-2) :238-245

[4] Friction on a single MoS2 nanotube [J].

Jelenc, Janez ;

Remskar, Maja .

NANOSCALE RESEARCH LETTERS, 2012, 7

[5] Anomalous Low Friction Under Boundary Lubrication of Steel Surfaces by Polyols [J].

Joly-Pottuz, L. ;

Martin, J. M. ;

Bouchet, M. I. De Barros ;

Belin, M. .

TRIBOLOGY LETTERS, 2009, 34 (01) :21-29

[6] Parametrization of a reactive many-body potential for Mo-S systems [J].

Liang, Tao ;

Phillpot, Simon R. ;

Sinnott, Susan B. .

PHYSICAL REVIEW B, 2009, 79 (24)

[7] FAST PARALLEL ALGORITHMS FOR SHORT-RANGE MOLECULAR-DYNAMICS [J].

PLIMPTON, S .

JOURNAL OF COMPUTATIONAL PHYSICS, 1995, 117 (01) :1-19

[8] Friction and wear of fullerene-like WS2 under severe contact conditions:: friction of ceramic materials [J].

Rapoport, L ;

Nepomnyashchy, O ;

Lapsker, I ;

Verdyan, A ;

Soifer, Y ;

Popovitz-Biro, R ;

Tenne, R .

TRIBOLOGY LETTERS, 2005, 19 (02) :143-149

[9] Applications of WS2 (MoS2) inorganic nanotubes and fullerene-like nanoparticles for solid lubrication and for structural nanocomposites [J].

Rapoport, L ;

Fleischer, N ;

Tenne, R .

JOURNAL OF MATERIALS CHEMISTRY, 2005, 15 (18) :1782-1788

[10] Inorganic fullerene-like material as additives to lubricants: structure-function relationship [J].

Rapoport, L ;

Feldman, Y ;

Homyonfer, M ;

Cohen, H ;

Sloan, J ;

Hutchison, JL ;

Tenne, R .

WEAR, 1999, 225 :975-982

← 1 2 →