publication . Article . 2004

Core structure of screw dislocations in body-centred cubic metals: relation to symmetry and interatomic bonding

Vaclav Vitek;
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  • Published: 21 Jan 2004 Journal: Philosophical Magazine, volume 84, pages 415-428 (issn: 1478-6435, eissn: 1478-6443, Copyright policy)
  • Publisher: Informa UK Limited
Abstract
In this paper we discuss both the crystallographic aspects that govern the general features of the cores of ⟨111⟩ screw dislocations in bcc metals and the role of interatomic bonding that is specific to given materials. This analysis is carried out by comparing the results of two atomistic calculations of dislocations in molybdenum, one performed using many-body central force potentials and the other bond-order potentials that include the angular dependence of interatomic interactions. In both cases the core spreads into three {110} planes of the [111] zone but in one case it is unique and invariant with respect to the ⟨101⟩ type diad, a symmetry operation of th...
Subjects
free text keywords: Condensed Matter Physics, Molybdenum, chemistry.chemical_element, chemistry, Crystallography, Lattice (order), Diad, Central force, Dislocation, Symmetry operation, Angular dependence, Invariant (mathematics)
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