Gross, Dietmar ; Müller, Ralf ; Müller, Michael ; Xu, Bai-Xiang ; 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), 102 (6)
doi: 10.3139/146.110516
Article, Bibliographie
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 ; Müller, Ralf ; Müller, Michael ; Xu, Bai-Xiang ; Albe, Karsten |
| Type of entry: | Bibliographie |
| Title: | On the origin of inhomogeneous stress and strain distributions in single-crystalline metallic nanoparticles |
| Language: | English |
| Date: | June 2011 |
| Publisher: | Hanser |
| Journal or Publication Title: | International Journal of Materials Research (formerly Zeitschrift fuer Metallkunde) |
| Volume of the journal: | 102 |
| Issue Number: | 6 |
| DOI: | 10.3139/146.110516 |
| URL / URN: | https://www.degruyter.com/document/doi/10.3139/146.110516/ht... |
| 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. |
| Additional Information: | Dedicated to Prof. F. D. Fischer on the occasion of his 70th birthday |
| 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 13 Department of Civil and Environmental Engineering Sciences 13 Department of Civil and Environmental Engineering Sciences > Mechanics 13 Department of Civil and Environmental Engineering Sciences > Mechanics > Continuum Mechanics Exzellenzinitiative Exzellenzinitiative > Graduate Schools Exzellenzinitiative > Graduate Schools > Graduate School of Computational Engineering (CE) Zentrale Einrichtungen |
| Date Deposited: | 05 Apr 2013 09:16 |
| Last Modified: | 26 Jan 2024 09:21 |
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