Journal
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
Volume 333, Issue 1-2, Pages 390-396Publisher
ELSEVIER SCIENCE SA
DOI: 10.1016/S0921-5093(01)01872-X
Keywords
dislocations; core structure; dissociation in Al; Shockley partials; peierls energy
Ask authors/readers for more resources
The core structure of dislocations in Al has been the subject of various recent investigations. Whereas atomic simulations which must rely on empirical potentials, are not very reliable, the generalized Peierls model using ab initio misfit energy values from electron density functional theory is able to give accurate results, when appropriate methods are used and in the calculations certain basic conditions are satisfied. It is shown that discrepancies in the results obtained in the literature result from inappropriate choice of trial functions in the variational problem for the dislocation energy and from incorrect treatments. Due to its inherent approximations the Peierls model can give only order of magnitude values for the Peierls energy. (C) 2002 Elsevier Science B.V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available