Simulation of alloy thermodynamics: From an atomic to a mesoscale Hamiltonian

Starting from an atomic interaction model of an alloy with a clustering tendency, a mesoscopic thermodynamic simulation method is developed. The alloy is represented by a mesoscopic rigid lattice of cells characterized by the number of solute atoms they contain and a discrete cellular Monte Carlo (C...

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Veröffentlicht in:	Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2012-08, Vol.86 (5), Article 054103
Hauptverfasser:	Garnier, T., Finel, A., Le Bouar, Y., Nastar, M.
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Alloy development Computer simulation Condensed matter Free energy Mathematical models Mesoscale phenomena Thermodynamics
Online-Zugang:	Volltext
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