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http://bura.brunel.ac.uk/handle/2438/21922
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 Branka, 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. |
URI: | https://bura.brunel.ac.uk/handle/2438/21922 |
DOI: | https://doi.org/10.1002/pssb.201600861 |
ISSN: | 0370-1972 |
Other Identifiers: | 1600861 |
Appears in Collections: | Dept of Mechanical and Aerospace Engineering Research Papers |
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