Elastic properties of nanostructured materials with layered grain boundary structure

Karakasidis, TE; Charitidis, CA; Skarakis, D; Chouliaras, F

dc.contributor.author	Karakasidis, TE	en
dc.contributor.author	Charitidis, CA	en
dc.contributor.author	Skarakis, D	en
dc.contributor.author	Chouliaras, F	en
dc.date.accessioned	2014-03-01T01:26:17Z
dc.date.available	2014-03-01T01:26:17Z
dc.date.issued	2007	en
dc.identifier.issn	0039-6028	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/17978
dc.subject	Elastic constants	en
dc.subject	Grain boundaries	en
dc.subject	Mechanical properties	en
dc.subject	Molecular dynamics	en
dc.subject	Nanostructured materials	en
dc.subject.classification	Chemistry, Physical	en
dc.subject.classification	Physics, Condensed Matter	en
dc.subject.other	Deformation	en
dc.subject.other	Elastic constants	en
dc.subject.other	Fabrication	en
dc.subject.other	Grain boundaries	en
dc.subject.other	Molecular dynamics	en
dc.subject.other	Stresses	en
dc.subject.other	Atomic structure	en
dc.subject.other	Elastic properties	en
dc.subject.other	Lennard-Jones potential	en
dc.subject.other	Multiscale modeling	en
dc.subject.other	Nanostructured materials	en
dc.title	Elastic properties of nanostructured materials with layered grain boundary structure	en
heal.type	journalArticle	en
heal.identifier.primary	10.1016/j.susc.2007.06.066	en
heal.identifier.secondary	http://dx.doi.org/10.1016/j.susc.2007.06.066	en
heal.language	English	en
heal.publicationDate	2007	en
heal.abstract	Atomistic calculations of the elastic constants for a bulk nanostructured material that consists of a layered structure where alternating layers meet along high angle grain boundaries and where atoms interact via a Lennard-Jones potential are presented. The calculations of the elastic constants were performed in the frame of homogeneous deformations for a wide range of layer widths ranging from 2.24 up to 74.62 nm. The results showed that the relaxation of the atomic structure affects the elastic constants for the cases where more than 5% of atoms are located in the GB region. Also it was found that the way that external stresses are applied on the system affects the values of the obtained elastic properties, with the elastic constants related to the characteristic directions of the grain boundary being the most affected ones. The findings of this work are of interest for the fabrication methods of nanostructured materials, the measurement methods of their elastic properties as well as multiscale modeling schemes of nanostructured materials. (c) 2007 Elsevier B.V. All rights reserved.	en
heal.publisher	ELSEVIER SCIENCE BV	en
heal.journalName	Surface Science	en
dc.identifier.doi	10.1016/j.susc.2007.06.066	en
dc.identifier.isi	ISI:000249282600030	en
dc.identifier.volume	601	en
dc.identifier.issue	16	en
dc.identifier.spage	3521	en
dc.identifier.epage	3527	en