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위상장 모델링 (Phase-Field Modeling)×XRD Rietveld 정밀화×
분야재료과학재료과학
계열Process / pipelineProcess / pipeline
기원 연도19581969
창시자John W. CahnHugo Rietveld
유형Simulation methodRefinement method
원전Cahn, J. W. (1958). Free energy of a nonuniform system: Interfacial free energy. The Journal of Chemical Physics, 28(2), 258-267. DOI ↗Rietveld, H. M. (1969). A profile refinement method for nuclear and magnetic structures. Journal of Applied Crystallography, 2(2), 65-71. DOI ↗
별칭phase-field method, diffuse interface methodRietveld refinement, powder diffraction refinement
관련33
요약Phase-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.XRD Rietveld Refinement is a method for extracting detailed crystal structure information from powder diffraction data by comparing observed and calculated diffraction patterns through least-squares refinement. Developed by Hugo Rietveld in 1969, this technique enables determination of atomic positions, occupancies, thermal parameters, and phase fractions directly from powder data without requiring single crystals. It is the standard approach in materials characterization for structural analysis, phase identification, and quantification.
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