Nanowire stretching by Non-equilibrium Molecular Dynamics
File(s)Heyes_et_al-2017-physica_status_solidi_(b).pdf (2.26 MB)
Published version
Author(s)
Heyes, D
Dini, D
Smith, E
Branka, A
Type
Journal Article
Abstract
Non-equilibrium Molecular Dynamics (NEMD) simulations of a stretched Lennard-Jones (LJ) model single crystal nanowire with square cross-section are carried out. The microstructural and mechanical properties are examined as a function of strain and strain rate. The instantaneous Poisson's ratio and Young's modulus are shown to be strongly time (strain) dependent from the start of the pulling process. The structural transformation as a result of straining initially involves the (100) layers moving further apart and then slipping at ca. math formula when the shear slip stress along that direction is about 1% of the shear modulus, which is typical of plastic deformation of noble gas solid crystals, and in accordance with Schmid's law.
Date Issued
2017-10-16
Date Acceptance
2017-09-14
Citation
Physica Status Solidi B: Basic Solid State Physics, 2017, 254 (12)
ISSN
0370-1972
Publisher
Wiley
Journal / Book Title
Physica Status Solidi B: Basic Solid State Physics
Volume
254
Issue
12
Copyright Statement
© 2017 The Authors. Published by WILEY-VCH Verlag GmbH & Co.KGaA, Weinheim. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited
License URL
Sponsor
Engineering & Physical Science Research Council (EPSRC)
Grant Number
EP/N025954/1
Subjects
Science & Technology
Physical Sciences
Physics, Condensed Matter
Physics
Lennard-Jones potential
molecular dynamics
nanowire stretching
strain
STEEPLY REPULSIVE POTENTIALS
METAL NANOWIRES
POISSONS RATIO
STRAIN-RATE
SIMULATIONS
TEMPERATURE
DEFORMATION
ORIENTATION
SYSTEM
FLUIDS
0204 Condensed Matter Physics
0206 Quantum Physics
1007 Nanotechnology
Applied Physics
Publication Status
Published
Article Number
1600861