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Rietveldova rafinace XRD×CALPHAD×
OborMateriálové vědyMateriálové vědy
RodinaProcess / pipelineProcess / pipeline
Rok vzniku19691970
TvůrceHugo RietveldLarry Kaufman
TypRefinement methodComputational method
Původní zdrojRietveld, H. M. (1969). A profile refinement method for nuclear and magnetic structures. Journal of Applied Crystallography, 2(2), 65-71. DOI ↗Kaufman, L., & Bernstein, H. (1970). Computer Calculation of Phase Diagrams. Academic Press. link ↗
Další názvyRietveld refinement, powder diffraction refinementCALPHAD method, computational thermodynamics
Příbuzné33
ShrnutíXRD 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.CALPHAD (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.
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ScholarGatePorovnat metody: XRD Rietveld Refinement · CALPHAD. Získáno 2026-06-17 z https://scholargate.app/cs/compare