基于calphad和有效介质理论的热膨胀系数计算-材料物理与化学专业论文.docxVIP

AbstractThermal Abstract Thermal expansion coefficient(CTE)of materials is a very important quantity． When the material used in extreme temperature environment，the CTE should be paid more attention．The CTE of material is influenced by crystal structure and microstructure．However,the existing models disperse in various scales，the computation cross multi-scale is still leaking．Therefore，multi·scale computation models for materials’thermal expansion coefficient become very important．In this thesis，based on phase diagram calculation method and effective medium theory, multi-scale calculation was carried out on the material coefficient of thermal expansion．The main contents are summarized as follows： (1)Based on CALPHAD method，a model for CTE in the binary and ternary alloy was constructed．A simple method to deal with magnetic transition Was proposed． (2)Parameters of Fe-Ni binary systems were optimized by using the constructed model of thermal expansion coefficient for binary solid solution alloy．The calculated results were in good agreements with the experimental data．Based on the parameters in fundamental binary system，the thermal expansion coefficient of Fe-Ni．Cr alloy was assessed as a function of temperature and composition． (3)A Quasi—Newton method solver was developed to solve the nonlinear equations．The developed solver was use to solve the nonlinear Kirchhoff equations of equivalent magnetic circuit．This work provides foundation to solve phase equilibrium problem in the future． (4)Based on the principle of effective medium theory,using LabVIEW language． the calculation module was developed．The thermal expansion coefficient of graphene／epoxy and Ni-A1 alloys were calculated．The influence of the volume fraction，aspect ratio and orientation of graphene and the dissolving of 7’phase on the CTE was studied in detail． 万方数据 In In conclusion，CTE model by CALPHAD theory was established．Assessment of CTE in Ni-Fe—Cr binary system，ternary system was carried out，and optim