First-principles/Phase-field modeling of θ′ precipitation in Al-Cu alloys

We examine the equilibrium morphology of Al2Cu (θ′) precipitates in Al-Cu alloys using a phase field method with the parameters supplied by first-principles density functional theory (DFT) calculations. The phase field method employed allows for an interfacial energy that is highly anisotropic: ther...

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Veröffentlicht in:	Acta materialia 2017-11, Vol.140 (C), p.344-354
Hauptverfasser:	Kim, Kyoungdoc, Roy, Arijit, Gururajan, M.P., Wolverton, C., Voorhees, P.W.
Format:	Artikel
Sprache:	eng
Schlagworte:	Al-Cu Equilibrium aspect ratio First-principles calculation Materials Science Metallurgy & Metallurgical Engineering Phase-field modeling θ′ precipitates
Online-Zugang:	Volltext
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