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〈110〉{111} dislocation core properties in L1 2 Al 3 S c and Al 3 M g based on the Peierls– N abarro model
Author(s) -
Ma Li,
Fan TouWen,
Pan RongKai,
Tang BiYu,
Peng LiMing,
Ding WenJiang
Publication year - 2013
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201349022
Subject(s) - peierls stress , dislocation , materials science , condensed matter physics , stacking fault energy , stacking fault , density functional theory , core (optical fiber) , dissociation (chemistry) , glide plane , crystallography , molecular physics , dislocation creep , computational chemistry , chemistry , physics , composite material
The generalized stacking fault (GSF) energy curves along the 〈110〉 direction on {111} slip plane for L1 2 Al 3 Sc and Al 3 Mg are calculated within the framework of density functional theory (DFT), and anti‐phase boundary (APB) energies are obtained. Then the structures and properties of collinear dissociated 〈110〉{111} dislocations in Al 3 Sc and Al 3 Mg are studied using Peierls–Nabarro (PN) model combined with GSF energies, the obtained dislocation dissociation width of the 〈110〉{111} edge dislocation in Al 3 Sc is in agreement with the available experimental value. In comparison with Al 3 Mg, the dislocation dissociation widths of both screw and edge in Al 3 Sc are narrower and the Peierls energies and stresses are lower, while the core energies are much higher. Furthermore, for both Al 3 Sc and Al 3 Mg, the core energy of screw dislocation is smaller than that of edge dislocation, while the Peierls energy and stress of screw dislocation is slightly larger.