Friction coefficient calculation and mechanism analysis for MoS2 nanoparticle from molecular dynamics simulation

Chuin Shan Chen; Hong Jhou Cian; Chi Hua Yu; Chung Wei Huang

doi:10.1016/j.proeng.2014.06.388

Friction coefficient calculation and mechanism analysis for MoS₂ nanoparticle from molecular dynamics simulation

Chuin Shan Chen, Hong Jhou Cian, Chi Hua Yu, Chung Wei Huang

Department of Engineering Science

Research output: Contribution to journal › Conference article › peer-review

14 Citations (Scopus)

Abstract

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.

Original language	English
Pages (from-to)	617-621
Number of pages	5
Journal	Procedia Engineering
Volume	79
DOIs	https://doi.org/10.1016/j.proeng.2014.06.388
Publication status	Published - 2014
Event	37th National Conference on Theoretical and Applied Mechanics, NCTAM 2013, Conjoined with the 1st International Conference on Mechanics, ICM 2013 - Hsinchu, Taiwan Duration: 2013 Nov 8 → 2013 Nov 9

All Science Journal Classification (ASJC) codes

General Engineering

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10.1016/j.proeng.2014.06.388

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title = "Friction coefficient calculation and mechanism analysis for MoS2 nanoparticle from molecular dynamics simulation",

abstract = "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.",

author = "Chen, {Chuin Shan} and Cian, {Hong Jhou} and Yu, {Chi Hua} and Huang, {Chung Wei}",

note = "Publisher Copyright: {\textcopyright} 2014 Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license.; 37th National Conference on Theoretical and Applied Mechanics, NCTAM 2013, Conjoined with the 1st International Conference on Mechanics, ICM 2013 ; Conference date: 08-11-2013 Through 09-11-2013",

year = "2014",

doi = "10.1016/j.proeng.2014.06.388",

language = "English",

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journal = "Procedia Engineering",

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TY - JOUR

T1 - Friction coefficient calculation and mechanism analysis for MoS2 nanoparticle from molecular dynamics simulation

AU - Chen, Chuin Shan

AU - Cian, Hong Jhou

AU - Yu, Chi Hua

AU - Huang, Chung Wei

PY - 2014

Y1 - 2014

N2 - 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.

AB - 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.

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UR - http://www.scopus.com/inward/citedby.url?scp=84949122010&partnerID=8YFLogxK

U2 - 10.1016/j.proeng.2014.06.388

DO - 10.1016/j.proeng.2014.06.388

M3 - Conference article

AN - SCOPUS:84949122010

SN - 1877-7058

VL - 79

SP - 617

EP - 621

JO - Procedia Engineering

JF - Procedia Engineering

T2 - 37th National Conference on Theoretical and Applied Mechanics, NCTAM 2013, Conjoined with the 1st International Conference on Mechanics, ICM 2013

Y2 - 8 November 2013 through 9 November 2013

ER -

Friction coefficient calculation and mechanism analysis for MoS₂ nanoparticle from molecular dynamics simulation

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