[自然科学]结构相变中的对称性改变.pdf

PHASE FIELD MODEL IN STRUCTURAL PHASE TRANSITION 关键词 BaTiO3 朗道 唯象理论 相场方法 相变 结构相变 畴结构 铁电体 铁电薄膜 STRUCTURAL PHASE TRANSITION  Phase transition is usually accompanied by change of structural symmetry.  Buerger’s Classification I. Reconstructive (Graphite - Diamond) II. Displacive (ABO , Martensite) 3 III. Order/Disorder (Alloys, Ferrite, KH POP ) 2 4 IV. Others (Commensurate - Incommensurate, Liquid Crystal) STRUCTURAL PHASE TRANSITION (a) - (b) Reconstructive (a) - (c) Displacive STRUCTURAL PHASE TRANSITION AuCu3 : Order/Disorder INTEGRATED COMPUTATIONAL MATERIALS SCIENCE ENGINEERING Experiments and first- principles calculations Bulk Interfacial energies, structural Atomic and thermodynamics parameters, and response functions interface mobility Information databases Phase-Field Model Spatial and Temporal Microstructure Microstructures information Responses of databases microstructures NUMBERS OF PAPERS PUBLISHED AND CITATIONS IN PHASE-FIELD METHOD (Source: Web of Science) APPLICATIONS OF PHASE-FIELD METHOD  Solidification microstructures  Domain/phase microstructures in solid state phase transformation in bulk systems and thin films  Microstructure coarsening – grain coarsening and Ostwald Ripening  Defect microstructure evolution  Responses of a microstructure to