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Fazno-poljsko modelovanje×CALPHAD×Analiza konačnih elemenata×Molekularna dinamika×
OblastNauka o materijalimaNauka o materijalimaNauka o materijalimaNauka o materijalima
PorodicaProcess / pipelineProcess / pipelineProcess / pipelineProcess / pipeline
Godina nastanka1958197019431957
TvoracJohn W. CahnLarry KaufmanRichard CourantAlder and Wainwright
TipSimulation methodComputational methodComputational methodSimulation method
Temeljni izvorCahn, J. W. (1958). Free energy of a nonuniform system: Interfacial free energy. The Journal of Chemical Physics, 28(2), 258-267. DOI ↗Kaufman, L., & Bernstein, H. (1970). Computer Calculation of Phase Diagrams. Academic Press. link ↗Zienkiewicz, O. C., & Taylor, R. L. (1977). The Finite Element Method in Engineering Science. McGraw-Hill. link ↗Alder, B. J., & Wainwright, T. E. (1957). Phase transition for a hard sphere system. The Journal of Chemical Physics, 27(5), 1208-1209. DOI ↗
Drugi naziviphase-field method, diffuse interface methodCALPHAD method, computational thermodynamicsFEA, finite element methodMD simulation, molecular dynamics simulation, atomistic simulation
Srodne3343
SažetakPhase-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.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.Finite Element Analysis (FEA) is a numerical technique for obtaining approximate solutions to boundary value problems described by differential equations. Developed systematically by Richard Courant in 1943 and popularized by Clough in the 1960s, FEA divides a complex domain into smaller, simpler elements to solve engineering problems involving stress, strain, heat transfer, and fluid flow. It is the dominant computational method in materials science for predicting material behavior under various loading conditions.Molecular Dynamics (MD) is a computational technique that simulates the motion of atoms and molecules by solving Newton's equations of motion under specified forces. Pioneered by Alder and Wainwright in 1957, MD integrates time-dependent atomic trajectories from initial positions, allowing prediction of material properties, phase transitions, and dynamic behavior. It bridges the gap between quantum mechanics (which determines interatomic forces) and macroscopic phenomena (accessible only through experiment), enabling study of timescales from femtoseconds to microseconds and length scales from angstroms to hundreds of nanometers.
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ScholarGateUporedite metode: Phase-Field Modeling · CALPHAD · Finite Element Analysis · Molecular Dynamics. Preuzeto 2026-06-18 sa https://scholargate.app/sr/compare