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A Study of Point and Planar Defects in Copper
Author(s) -
Miller K. M.
Publication year - 1980
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.2220980141
Subject(s) - vacancy defect , copper , planar , crystallographic defect , scattering , molecular physics , frenkel defect , stacking fault energy , materials science , stacking fault , stacking , condensed matter physics , crystallography , chemistry , dislocation , physics , metallurgy , optics , computer graphics (images) , computer science , organic chemistry
The real‐space computer simulation technique is used to study point and planar defect properties in copper and the results are compared with a previous study on nickel. A new interatomic potential function to represent copper is produced which reproduces the most recent values of formation and migration energies for a vacancy and also the intrinsic stacking fault energy. Using this potential, the relaxation around a single vacancy, nine interstitial configurations, the intrinsic and extrinsic stacking faults and the twin boundary are simulated. The vacancy results are equivalent to those calculated previously using the lattice statics technique. The interstitial results show the < 110 > split configuration as having the lowest formation energy, 6.2 eV, and formation volume, 0.67 Ω. For all interstitial configurations, the elements of the defect strength tensor are calculated and compared with results from diffuse X‐ray scattering experiments on copper. The energies of the twin, intrinsic, and extrinsic faults are found to be 29, 55, and 58 mJ m −2 , respectively.