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CALPHAD×위상장 모델링 (Phase-Field Modeling)×
분야재료과학재료과학
계열Process / pipelineProcess / pipeline
기원 연도19701958
창시자Larry KaufmanJohn W. Cahn
유형Computational methodSimulation method
원전Kaufman, L., & Bernstein, H. (1970). Computer Calculation of Phase Diagrams. Academic Press. link ↗Cahn, J. W. (1958). Free energy of a nonuniform system: Interfacial free energy. The Journal of Chemical Physics, 28(2), 258-267. DOI ↗
별칭CALPHAD method, computational thermodynamicsphase-field method, diffuse interface method
관련33
요약CALPHAD (CALculation of PHAse Diagrams) is a computational method for predicting thermodynamic equilibrium properties and phase diagrams of multicomponent alloys. Pioneered by Larry Kaufman in 1970, CALPHAD combines experimental and computational data to assess thermodynamic properties of phases and subsequently predict equilibrium conditions. It is the standard methodology in physical metallurgy and materials design for alloy development, process optimization, and understanding phase stability.Phase-Field Modeling (PFM) is a continuum computational method for simulating microstructure evolution, phase transitions, and interfacial dynamics without explicitly tracking moving boundaries. Developed from Cahn-Ginzburg-Landau theory in the 1950s, PFM represents distinct phases through continuous order parameters that vary smoothly over diffuse interfaces. This approach elegantly handles topological changes (nucleation, coalescence, pinch-off), complex interface geometries, and strongly coupled multiphysics. It is the dominant method for studying dendritic growth, spinodal decomposition, grain evolution, and reactive transport in materials science.
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