Schäfer, Jonathan ; Stukowski, Alexander ; Albe, Karsten (2011)
Plastic deformation of nanocrystalline Pd-Au alloys: On the interplay of grain boundary solute segregation, fault energies and grain size.
In: Acta Mater., 59 (8)
doi: 10.1016/j.actamat.2011.01.036
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
Plastic deformation of nanocrystalline Pd-Au is studied by means of atomic-scale computer simulations. The distribution of solutes is equilibrated in model structures of different grain sizes and compositions using a combination of Monte Carlo and molecular dynamics methods. The resulting samples are deformed under uniaxial load. The role of grain boundary solute segregation is analyzed in detail by comparing chemically and structurally relaxed samples with model structures that were only structurally relaxed or reloaded. By analyzing dislocation activity, site occupancy, atomic free volume in the grain boundaries, stacking and twin fault densities, we make a connection between composition-dependent properties of the miscible alloy and the observed stress strain behavior. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2011 |
| Autor(en): | Schäfer, Jonathan ; Stukowski, Alexander ; Albe, Karsten |
| Art des Eintrags: | Bibliographie |
| Titel: | Plastic deformation of nanocrystalline Pd-Au alloys: On the interplay of grain boundary solute segregation, fault energies and grain size |
| Sprache: | Englisch |
| Publikationsjahr: | Mai 2011 |
| Verlag: | Elsevier Science Publishing Company |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Acta Mater. |
| Jahrgang/Volume einer Zeitschrift: | 59 |
| (Heft-)Nummer: | 8 |
| DOI: | 10.1016/j.actamat.2011.01.036 |
| URL / URN: | http://www.sciencedirect.com/science/article/pii/S1359645411... |
| Kurzbeschreibung (Abstract): | Plastic deformation of nanocrystalline Pd-Au is studied by means of atomic-scale computer simulations. The distribution of solutes is equilibrated in model structures of different grain sizes and compositions using a combination of Monte Carlo and molecular dynamics methods. The resulting samples are deformed under uniaxial load. The role of grain boundary solute segregation is analyzed in detail by comparing chemically and structurally relaxed samples with model structures that were only structurally relaxed or reloaded. By analyzing dislocation activity, site occupancy, atomic free volume in the grain boundaries, stacking and twin fault densities, we make a connection between composition-dependent properties of the miscible alloy and the observed stress strain behavior. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. |
| Freie Schlagworte: | Nanocrystalline materials, Grain boundary structure, Grain boundary segregation, Plastic deformation, Molecular dynamics |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Materialmodellierung 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften |
| Hinterlegungsdatum: | 22 Feb 2012 10:57 |
| Letzte Änderung: | 05 Mär 2013 09:58 |
| PPN: | |
| Sponsoren: | The authors acknowledge the financial support of the Deutsche Forschungsgemeinschaft (FOR714) and the grants of computer time from Forschungszentrum Jülich and bw-grid, member of the German D-Grid initiative. |
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