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On the origin of inhomogeneous stress and strain distributions in single-crystalline metallic nanoparticles

Gross, Dietmar and Müller, Ralf and Müller, Michael and Xu, Bai-Xiang and Albe, Karsten (2011):
On the origin of inhomogeneous stress and strain distributions in single-crystalline metallic nanoparticles.
In: International Journal of Materials Research (formerly Zeitschrift fuer Metallkunde), Hanser, pp. 743-747, 102, (6), ISSN 18625282, [Article]

Abstract

The internal stress state in a facetted nanoparticle of fcc copper is investigated by means of finite element calculations based on a linear elastic continuum description. By comparing with atomistic simulations using the embeddedatom method we can show that the elastic anisotropy, particle geometry and surface stresses determine the internal stress state. The calculated internal stresses are much lower than predictions by the Laplace–Young equation. Even under positive surface stresses a negative hydrostatic pressure may develop within the particle, which can be attributed to the strong elastic anisotropy of copper.

Item Type: Article
Erschienen: 2011
Creators: Gross, Dietmar and Müller, Ralf and Müller, Michael and Xu, Bai-Xiang and Albe, Karsten
Title: On the origin of inhomogeneous stress and strain distributions in single-crystalline metallic nanoparticles
Language: English
Abstract:

The internal stress state in a facetted nanoparticle of fcc copper is investigated by means of finite element calculations based on a linear elastic continuum description. By comparing with atomistic simulations using the embeddedatom method we can show that the elastic anisotropy, particle geometry and surface stresses determine the internal stress state. The calculated internal stresses are much lower than predictions by the Laplace–Young equation. Even under positive surface stresses a negative hydrostatic pressure may develop within the particle, which can be attributed to the strong elastic anisotropy of copper.

Journal or Publication Title: International Journal of Materials Research (formerly Zeitschrift fuer Metallkunde)
Volume: 102
Number: 6
Publisher: Hanser
Divisions: 11 Department of Materials and Earth Sciences
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences > Material Science > Materials Modelling
Zentrale Einrichtungen
Exzellenzinitiative
Exzellenzinitiative > Graduate Schools > Graduate School of Computational Engineering (CE)
Exzellenzinitiative > Graduate Schools
Date Deposited: 05 Apr 2013 09:16
Additional Information:

Dedicated to Prof. F. D. Fischer on the occasion of his 70th birthday

Identification Number: doi:10.3139/146.110516
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