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.
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Titolo: | Strain in Atomistic Models of Nanocrystalline Clusters |
Autori: | Leonardi, Alberto; Leoni, Matteo; M., Li; Scardi, Paolo |
Autori Unitn: | |
Titolo del periodico: | JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY |
Anno di pubblicazione: | 2012 |
Codice identificativo Scopus: | 2-s2.0-84871882447 |
Codice identificativo ISI: | WOS:000313851000044 |
Digital Object Identifier (DOI): | http://dx.doi.org/10.1166/jnn.2012.6807 |
Handle: | http://hdl.handle.net/11572/96505 |
Appare nelle tipologie: | 03.1 Articolo su rivista (Journal article) |