Published in

American Scientific Publishers, Journal of Nanoscience and Nanotechnology, 11(12), p. 8546-8553, 2012

DOI: 10.1166/jnn.2012.6807

Links

Tools

Export citation

Search in Google Scholar

Strain in Atomistic Models of Nanocrystalline Clusters

Journal article published in 2012 by Alberto Leonardi ORCID, Matteo Leoni, Mo Li, Paolo Scardi
This paper is available in a repository.
This paper is available in a repository.

Full text: Download

Red circle
Preprint: archiving forbidden
Red circle
Postprint: archiving forbidden
Red circle
Published version: archiving forbidden
Data provided by SHERPA/RoMEO

Abstract

Strain, as an easy and clearly defined concept in continuum mechanics, has no direct counterpart in atomistic models. Existing methods, relying on the concept of atomic coordination number, do not provide a complete description of volumetric and deviatoric strains across metallic nanocrystalline microstructures. To overcome those limitations a new method is proposed: the Voronoi Cell deformation (VCD) fully accounts for the local geometry and provides a description of the strain field independent of the atomic coordination. As a typical case of study, a large atomic cluster of 200 Al grains (ca 2 million atoms) and overall size of 33 cubic nanometres was considered.