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On the Peierls stress in Al and Cu: An atomistic simulation and comparison with experiment
Author(s) -
Pasianot Roberto C.,
MorenoGobbi Ariel
Publication year - 2004
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.200301997
Subject(s) - peierls stress , stress (linguistics) , materials science , thermodynamics , yield (engineering) , stacking fault , ab initio , stacking fault energy , statistical physics , condensed matter physics , dislocation , physics , quantum mechanics , philosophy , linguistics , dislocation creep
An atomistic calculation of the Peierls stress in Al and Cu is undertaken in order to assess consistency with experiments. The measured yield stress extrapolated to 0 K results at least one order of magnitude smaller than the Peierls stress commonly derived from internal friction data. On the theoretical side, some calculations for Al are already available (using different approaches than presently) however none is for Cu. The simulations employ semi‐empirical many‐body interatomic potentials, fitted here to the generalized stacking fault energy surface (calculated elsewhere with ab initio electronic structure methods), as well as others from the literature. After a critical assessment, reasonable agreement is demonstrated between our results and the Peierls stress values derived from internal friction experiments within the framework of the kink pair formation model. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)