Koch, Leonie ; Granberg, Fredric ; Brink, Tobias ; Utt, Daniel ; Albe, Karsten ; Djurabekova, Flyura ; Nordlund, Kai (2017)
Local segregation versus irradiation effects in high-entropy alloys: Steady-state conditions in a driven system.
In: Journal of Applied Physics, 122 (10)
doi: 10.1063/1.4990950
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
We study order transitions and defect formation in a model high-entropy alloy (CuNiCoFe) under ion irradiation by means of molecular dynamics simulations. Using a hybrid Monte-Carlo/molecular dynamics scheme, a model alloy is generated which is thermodynamically stabilized by configurational entropy at elevated temperatures, but partly decomposes at lower temperatures by copper precipitation. Both the high-entropy and the multiphase sample are then subjected to simulated particle irradiation. The damage accumulation is analyzed and compared to an elemental Ni reference system. The results reveal that the high-entropy alloy—independent of the initial configuration—installs a certain fraction of short-range order even under particle irradiation. Moreover, the results provide evidence that defect accumulation is reduced in the high-entropy alloy. This is because the reduced mobility of point defects leads to a steady state of defect creation and annihilation. The lattice defects generated by irradiation are shown to act as sinks for Cu segregation.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2017 |
| Autor(en): | Koch, Leonie ; Granberg, Fredric ; Brink, Tobias ; Utt, Daniel ; Albe, Karsten ; Djurabekova, Flyura ; Nordlund, Kai |
| Art des Eintrags: | Bibliographie |
| Titel: | Local segregation versus irradiation effects in high-entropy alloys: Steady-state conditions in a driven system |
| Sprache: | Englisch |
| Publikationsjahr: | 11 September 2017 |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Journal of Applied Physics |
| Jahrgang/Volume einer Zeitschrift: | 122 |
| (Heft-)Nummer: | 10 |
| DOI: | 10.1063/1.4990950 |
| Kurzbeschreibung (Abstract): | We study order transitions and defect formation in a model high-entropy alloy (CuNiCoFe) under ion irradiation by means of molecular dynamics simulations. Using a hybrid Monte-Carlo/molecular dynamics scheme, a model alloy is generated which is thermodynamically stabilized by configurational entropy at elevated temperatures, but partly decomposes at lower temperatures by copper precipitation. Both the high-entropy and the multiphase sample are then subjected to simulated particle irradiation. The damage accumulation is analyzed and compared to an elemental Ni reference system. The results reveal that the high-entropy alloy—independent of the initial configuration—installs a certain fraction of short-range order even under particle irradiation. Moreover, the results provide evidence that defect accumulation is reduced in the high-entropy alloy. This is because the reduced mobility of point defects leads to a steady state of defect creation and annihilation. The lattice defects generated by irradiation are shown to act as sinks for Cu segregation. |
| Freie Schlagworte: | Amorphous metals, Transition, Crystal defects, Molecular dynamics, Entropy |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Materialmodellierung Zentrale Einrichtungen > Hochschulrechenzentrum (HRZ) > Hochleistungsrechner 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft Zentrale Einrichtungen > Hochschulrechenzentrum (HRZ) 11 Fachbereich Material- und Geowissenschaften Zentrale Einrichtungen |
| Hinterlegungsdatum: | 19 Sep 2017 11:39 |
| Letzte Änderung: | 21 Sep 2017 08:20 |
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