Bergmann, S. ; Albe, K. ; Flegel, E. ; Barragan-Yani, D. A. ; Wagner, B. (2017)
Anisotropic solid–liquid interface kinetics in silicon: an atomistically informed phase-field model.
In: Modelling and Simulation in Materials Science and Engineering, 25 (6)
doi: 10.1088/1361-651X/aa7862
Artikel, Bibliographie
Dies ist die neueste Version dieses Eintrags.
Kurzbeschreibung (Abstract)
We present an atomistically informed parametrization of a phase-field model for describing the anisotropic mobility of liquid–solid interfaces in silicon. The model is derived from a consistent set of atomistic data and thus allows to directly link molecular dynamics and phase field simulations. Expressions for the free energy density, the interfacial energy and the temperature and orientation dependent interface mobility are systematically fitted to data from molecular dynamics simulations based on the Stillinger–Weber interatomic potential. The temperature-dependent interface velocity follows a Vogel–Fulcher type behavior and allows to properly account for the dynamics in the undercooled melt.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2017 |
| Autor(en): | Bergmann, S. ; Albe, K. ; Flegel, E. ; Barragan-Yani, D. A. ; Wagner, B. |
| Art des Eintrags: | Bibliographie |
| Titel: | Anisotropic solid–liquid interface kinetics in silicon: an atomistically informed phase-field model |
| Sprache: | Englisch |
| Publikationsjahr: | 18 Juli 2017 |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Modelling and Simulation in Materials Science and Engineering |
| Jahrgang/Volume einer Zeitschrift: | 25 |
| (Heft-)Nummer: | 6 |
| DOI: | 10.1088/1361-651X/aa7862 |
| Zugehörige Links: | |
| Kurzbeschreibung (Abstract): | We present an atomistically informed parametrization of a phase-field model for describing the anisotropic mobility of liquid–solid interfaces in silicon. The model is derived from a consistent set of atomistic data and thus allows to directly link molecular dynamics and phase field simulations. Expressions for the free energy density, the interfacial energy and the temperature and orientation dependent interface mobility are systematically fitted to data from molecular dynamics simulations based on the Stillinger–Weber interatomic potential. The temperature-dependent interface velocity follows a Vogel–Fulcher type behavior and allows to properly account for the dynamics in the undercooled melt. |
| Freie Schlagworte: | phase-field model, molecular dynamics simulation, interface kinetics, silicon recrystallization |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Materialmodellierung |
| Hinterlegungsdatum: | 21 Jul 2017 08:27 |
| Letzte Änderung: | 10 Jan 2024 08:12 |
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| Suche nach Titel in: | TUfind oder in Google |
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Anisotropic solid–liquid interface kinetics in silicon: an atomistically informed phase-field model. (deposited 09 Jan 2024 10:32)
- Anisotropic solid–liquid interface kinetics in silicon: an atomistically informed phase-field model. (deposited 21 Jul 2017 08:27) [Gegenwärtig angezeigt]
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