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Title: Tensile testing of Fe and FeCr nanowires using molecular dynamics simulations

Using molecular dynamics, we have studied the behaviour of cylindrical [001]-oriented Fe and FeCr nanowires under uniaxial tensile strain with both an embedded atom method (EAM) and a Tersoff-like bond order potential. The mechanical properties were analysed and the deformation mechanism was studied and compared between the potentials. The effects of chromium content and size of the wire were studied. Both potentials show elongation by deformation twinning in the 〈111〉/(211) system resulting in a significantly stiffer and stronger [110]-axial nanowire. The pure iron nanowires are elastically softer than bulk iron and an addition of chromium has both a softening and weakening effect. The bond order potential shows a strong dependence on chromium concentration, while the dependence is considerably weaker for the EAM potential.
Authors:
; ; ; ;  [1]
  1. Department of Physics, University of Helsinki, P.O. Box 43, Helsinki FIN-00014 (Finland)
Publication Date:
OSTI Identifier:
22399222
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 117; Journal Issue: 1; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 77 NANOSCIENCE AND NANOTECHNOLOGY; CHROMIUM; COMPARATIVE EVALUATIONS; COMPUTERIZED SIMULATION; CONCENTRATION RATIO; CRYSTAL STRUCTURE; CYLINDRICAL CONFIGURATION; ELONGATION; INTERMETALLIC COMPOUNDS; IRON; MATERIALS TESTING; MOLECULAR DYNAMICS METHOD; NANOWIRES; POTENTIALS; STRAINS; TENSILE PROPERTIES; TWINNING