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Influence of surface stress on the mechanical response of nanoporous metals studied by an atomistically informed continuum model

Klomp, Arne J. ; Stukowski, Alexander ; Müller, Ralf ; Albe, Karsten ; Diewald, Felix (2021)
Influence of surface stress on the mechanical response of nanoporous metals studied by an atomistically informed continuum model.
In: Acta Materialia, 221
doi: 10.1016/j.actamat.2021.117373
Article, Bibliographie

Abstract

The influence of surface stresses on the deformation behavior of nanoporous metals is considered to be the main reason for the tension-compression asymmetry observed in atomistic simulation studies of nanoporous metals. While it is difficult to differentiate between the contributions of linear and non-linear elasticity, dislocation activity, topology and surface stresses from atomistic simulations, continuum mechanics allow to disentangle these effects by systematically varying the applied constitutive relations. In this study, we investigate the elastic response of a nanoporous Au and Ag structure, both by molecular statics simulations and an elastic continuum model, which includes surface stresses and elastic anisotropy. The 3-dimensional periodic atomistic nanoporous structure is triangulated and transferred to the continuum model, where periodicity, elastic anisotropy, and surface stresses are considered. The results show that surface stress acts as a mechanical pre-load and that the elastic response is sensitive to the loading direction. An asymmetric behavior is observed in the elastic regime. Moreover, we show that sites, where dislocation activity is starting, show high von Mises stresses.

Item Type: Article
Erschienen: 2021
Creators: Klomp, Arne J. ; Stukowski, Alexander ; Müller, Ralf ; Albe, Karsten ; Diewald, Felix
Type of entry: Bibliographie
Title: Influence of surface stress on the mechanical response of nanoporous metals studied by an atomistically informed continuum model
Language: English
Date: December 2021
Publisher: Elsevier
Journal or Publication Title: Acta Materialia
Volume of the journal: 221
DOI: 10.1016/j.actamat.2021.117373
URL / URN: https://linkinghub.elsevier.com/retrieve/pii/S13596454210075...
Abstract:

The influence of surface stresses on the deformation behavior of nanoporous metals is considered to be the main reason for the tension-compression asymmetry observed in atomistic simulation studies of nanoporous metals. While it is difficult to differentiate between the contributions of linear and non-linear elasticity, dislocation activity, topology and surface stresses from atomistic simulations, continuum mechanics allow to disentangle these effects by systematically varying the applied constitutive relations. In this study, we investigate the elastic response of a nanoporous Au and Ag structure, both by molecular statics simulations and an elastic continuum model, which includes surface stresses and elastic anisotropy. The 3-dimensional periodic atomistic nanoporous structure is triangulated and transferred to the continuum model, where periodicity, elastic anisotropy, and surface stresses are considered. The results show that surface stress acts as a mechanical pre-load and that the elastic response is sensitive to the loading direction. An asymmetric behavior is observed in the elastic regime. Moreover, we show that sites, where dislocation activity is starting, show high von Mises stresses.

Uncontrolled Keywords: Nanoporous metal, NPG, Surface stress, Multi-scale modeling, Micromechanical modeling, SPP 1599, AL 578/16-2
Identification Number: 117373
Additional Information:

Artikel-Nr. 117373

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
Zentrale Einrichtungen
Zentrale Einrichtungen > University IT-Service and Computing Centre (HRZ)
Zentrale Einrichtungen > University IT-Service and Computing Centre (HRZ) > Hochleistungsrechner
Date Deposited: 19 Oct 2021 06:05
Last Modified: 04 May 2022 14:24
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