Simulations of nanocrystalline metals at the atomic scale. What can we do? What can we trust?

Details Simulations of nanocrystalline metals at the atomic scale. What can we do? What can we trust? Simulations of nanocrystalline metals at the atomic scale. What can we do? What can we trust?

2001-09-18

arxiv.org/abs/cond-mat/0109320v1

In "Science of Metastable and Nanocrystalline Alloys" edited by A.R. Dinesen et al., ISBN 87-550-2916-7, p. 127-139 (Risoe Nat

Physics

Condensed Matter

Materials Science

Invited paper presented at the 22nd Risoe International Conference on Materials Science, September 2001

Scientific paper

In recent years it has become possible to study the properties of nanocrystalline metals through atomic-scale simulations of systems with realistic grain sizes. A brief overview of the main results is given, such as the observation of a reverse Hall-Petch effect - a softening of the metal when the grain size is reduced. The limitations of computer simulations are discussed, with a particular focus on the factors that may influence the reliability of this kind of simulations.

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