Schäfer, Jonathan ; Stukowski, Alexander ; Albe, Karsten (2013)
On the hierarchy of deformation processes in nanocrystalline alloys: Grain boundary mediated plasticity vs. dislocation slip.
In: Journal of Applied Physics, 114 (14)
doi: 10.1063/1.4821763
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
Hybrid molecular dynamics and Monte-Carlo simulations on the deformation behavior of nanocrystalline Pd–Au are presented. A semi-grandcanonical Monte-Carlo scheme is employed during straining to allow for local relaxation by chemical equilibration and to effectively shortcut diffusional processes. Altering the balance between an imposed straining and local relaxation reveals a strong correlation of the irreversible plastic deformation and the frequency of local relaxation. Using a novel method to quantify the amount of crystal slip strain from atomistic data, it is demonstrated how plastic deformation carried by dislocations changes as a function of the local relaxation. The results indicate that conventional molecular dynamics simulations overestimate the contributions of dislocation slip to the overall plastic deformation of nanocrystalline samples.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2013 |
| Autor(en): | Schäfer, Jonathan ; Stukowski, Alexander ; Albe, Karsten |
| Art des Eintrags: | Bibliographie |
| Titel: | On the hierarchy of deformation processes in nanocrystalline alloys: Grain boundary mediated plasticity vs. dislocation slip |
| Sprache: | Englisch |
| Publikationsjahr: | 2013 |
| Verlag: | AIP Publishing LLC |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Journal of Applied Physics |
| Jahrgang/Volume einer Zeitschrift: | 114 |
| (Heft-)Nummer: | 14 |
| DOI: | 10.1063/1.4821763 |
| Kurzbeschreibung (Abstract): | Hybrid molecular dynamics and Monte-Carlo simulations on the deformation behavior of nanocrystalline Pd–Au are presented. A semi-grandcanonical Monte-Carlo scheme is employed during straining to allow for local relaxation by chemical equilibration and to effectively shortcut diffusional processes. Altering the balance between an imposed straining and local relaxation reveals a strong correlation of the irreversible plastic deformation and the frequency of local relaxation. Using a novel method to quantify the amount of crystal slip strain from atomistic data, it is demonstrated how plastic deformation carried by dislocations changes as a function of the local relaxation. The results indicate that conventional molecular dynamics simulations overestimate the contributions of dislocation slip to the overall plastic deformation of nanocrystalline samples. |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Materialmodellierung |
| Hinterlegungsdatum: | 19 Mär 2014 09:24 |
| Letzte Änderung: | 29 Jan 2019 13:57 |
| PPN: | |
| Sponsoren: | The authors acknowledge the financial support of the Deutsche Forschungsgemeinschaft (FOR714). |
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