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

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 (10 K ~ 1500 K) 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 10{sup 9} s{sup −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.

Authors:
; ;  [1];  [2]
  1. Department of Mechanical Engineering, Bangladesh University of Engineering and Technology, Dhaka-1000 (Bangladesh)
  2. Department of Mechanical and Nuclear Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States)
Publication Date:
OSTI Identifier:
22608543
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1754; Journal Issue: 1; Conference: ICME 2015: 11. international conference on mechanical engineering, Dhaka (Bangladesh), 18-20 Dec 2015; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY; ASPECT RATIO; DISTRIBUTION FUNCTIONS; ELASTICITY; MOLECULAR DYNAMICS METHOD; NANOSTRUCTURES; NANOWIRES; SIMULATION; SPATIAL DISTRIBUTION; STRAIN RATE; STRAINS; STRESSES; TEMPERATURE DEPENDENCE; TUNGSTEN

Citation Formats

Saha, Sourav, E-mail: ssaha09@me.buet.ac.bd, Mojumder, Satyajit, Mahboob, Monon, and Islam, M. Zahabul. Effect of temperature and geometric parameters on elastic properties of tungsten nanowire: A molecular dynamics study. United States: N. p., 2016. Web. doi:10.1063/1.4958353.
Saha, Sourav, E-mail: ssaha09@me.buet.ac.bd, Mojumder, Satyajit, Mahboob, Monon, & Islam, M. Zahabul. Effect of temperature and geometric parameters on elastic properties of tungsten nanowire: A molecular dynamics study. United States. doi:10.1063/1.4958353.
Saha, Sourav, E-mail: ssaha09@me.buet.ac.bd, Mojumder, Satyajit, Mahboob, Monon, and Islam, M. Zahabul. Tue . "Effect of temperature and geometric parameters on elastic properties of tungsten nanowire: A molecular dynamics study". United States. doi:10.1063/1.4958353.
@article{osti_22608543,
title = {Effect of temperature and geometric parameters on elastic properties of tungsten nanowire: A molecular dynamics study},
author = {Saha, Sourav, E-mail: ssaha09@me.buet.ac.bd and Mojumder, Satyajit and Mahboob, Monon and Islam, M. Zahabul},
abstractNote = {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 (10 K ~ 1500 K) 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 10{sup 9} s{sup −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.},
doi = {10.1063/1.4958353},
journal = {AIP Conference Proceedings},
number = 1,
volume = 1754,
place = {United States},
year = {Tue Jul 12 00:00:00 EDT 2016},
month = {Tue Jul 12 00:00:00 EDT 2016}
}