Simulations of nanocrystalline metals at the atomic scale. What can we do? What can we trust?
arXiv:cond-mat/0109320
Abstract
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.
Invited paper presented at the 22nd Risoe International Conference on Materials Science, September 2001