Abstract
AbstractAn 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)
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