Effect of temperature and geometric parameters on elastic properties of tungsten nanowire: A molecular dynamics study

Sourav Saha, Satyajit Mojumder, Monon Mahboob, M. Zahabul Islam

Research output: Chapter in Book/Report/Conference proceedingConference contribution

7 Scopus citations

Abstract

Tungsten is a promising material and has potential use as battery anode. Tungsten nanowires are gaining attention from researchers all over the world for this wide field of application. In this paper, we investigated effect of temperature and geometric parameters (diameter and aspect ratio) on elastic properties of Tungsten nanowire. Aspect ratios (length to diameter ratio) considered are 8:1, 10:1, and 12:1 while diameter of the nanowire is varied from 1-4 nm. For 2 nm diameter sample (aspect ratio 10:1), temperature is varied (10K ~ 1500K) to observe elastic behavior of Tungsten nanowire under uniaxial tensile loading. EAM potential is used for molecular dynamic simulation. We applied constant strain rate of 109 s-1 to deform the nanowire. Elastic behavior is expressed through stress vs. strain plot. We also investigated the fracture mechanism of tungsten nanowire and radial distribution function. Investigation suggests peculiar behavior of Tungsten nanowire in nano-scale with double peaks in stress vs. strain diagram. Necking before final fracture suggests that actual elastic behavior of the material is successfully captured through atomistic modeling.

Original languageEnglish (US)
Title of host publicationInternational Conference on Mechanical Engineering
Subtitle of host publicationProceedings of the 11th International Conference on Mechanical Engineering, ICME 2015
EditorsA. K. M. Monjur Morshed, Mohammad Ali, Md. Abdus Salam Akanda
PublisherAmerican Institute of Physics Inc.
ISBN (Electronic)9780735414129
DOIs
StatePublished - Jul 12 2016
Event11th International Conference on Mechanical Engineering, ICME 2015 - Dhaka, Bangladesh
Duration: Dec 18 2015Dec 20 2015

Publication series

NameAIP Conference Proceedings
Volume1754
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Conference

Conference11th International Conference on Mechanical Engineering, ICME 2015
Country/TerritoryBangladesh
CityDhaka
Period12/18/1512/20/15

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy

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