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Title: Nanowire Stretching by Non-Equilibrium Molecular Dynamics
Authors: Heyes, DM
Dini, D
Smith, ER
Brańka, AC
Keywords: Lennard–Jones potential;molecular dynamics;nanowire stretching;strain
Issue Date: 16-Jan-2017
Publisher: WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Citation: Heyes, D.M., Dini, D., Smith, E.R. and Branka, A.C. (2017) 'Nanowire Stretching by Non-Equilibrium Molecular Dynamics'. physica status solidi (b), 254 1600861 (11 pp.). doi: 10.1002/pssb.201600861
Abstract: © 2017 The Authors. Non-equilibrium Molecular Dynamics (NEMD) simulations of a stretchedLennard-Jones (LJ) model single crystal nanowire with square cross-sectionare carried out. The microstructural and mechanical properties are examinedas a function of strain and strain rate. The instantaneous Poisson’s ratio andYoung’s modulus are shown to be strongly time (strain) dependent from thestart of the pulling process. The structural transformation as a result ofstraining initially involves the (100) layers moving further apart and thenslipping at ca. 45owhen the shear slip stress along that direction is about1% of the shear modulus, which is typical of plastic deformation of noblegas solid crystals, and in accordance with Schmid’s law.
ISSN: 0370-1972
Other Identifiers: 1600861
Appears in Collections:Dept of Mechanical and Aerospace Engineering Research Papers

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