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E-MRS-H - Contributed Article
Mechanical response of nanocrystalline Cu from atomistic simulations
Article first published online: 15 APR 2010
DOI: 10.1002/pssc.200983373
Copyright © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Issue
physica status solidi (c)
Special Issue: 2009 E-MRS Fall Meeting, Symposium A – InN Material and Alloys • 2009 E-MRS Fall Meeting, Symposium H – Bulk Amorphous and Nanocrystalline Materials
Volume 7, Issue 5, pages 1372–1375, May 2010
Additional Information
How to Cite
Galanis, N. V., Remediakis, I. N. and Kopidakis, G. (2010), Mechanical response of nanocrystalline Cu from atomistic simulations. physica status solidi (c), 7: 1372–1375. doi: 10.1002/pssc.200983373
Publication History
- Issue published online: 10 MAY 2010
- Article first published online: 15 APR 2010
- Manuscript Accepted: 15 DEC 2009
- Manuscript Revised: 14 DEC 2009
- Manuscript Received: 2 OCT 2009
- Abstract
- Cited By
Keywords:
- Cu;
- nanocrystals;
- plastic deformation;
- defects;
- elastic properties;
- modeling
Abstract
We perform atomistic simulations for the structure and elastic properties of nanocrystalline Cu. We observe softening at small grain sizes, in analogy with the reverse Hall-Petch effect for plastic deformations in nanocrystalline metals. The decrease of elastic constants is explained by the increase of the fraction of grain boundary atoms for smaller grains. By decomposing the energy into contributions from atoms in the bulk of grains and at interfaces, we derive simple scaling relations for various properties as a function of the average grain size. These theoretical predictions fit very well the simulation data, as well as published data for nanocrystalline diamond. This suggests that softening at small grain sizes is a general nanoscale effect. (© 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)