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丁琪,施展,李晓菲,韩佳甲,许伟伟,王翠萍,刘兴军.金属固溶体热膨胀系数的CALPHAD计算模型[J].稀有金属材料与工程(英文),2019,48(9):2873~2878.[DING Qi,SHI Zhan,LI Xiaofei,HAN Jiajia,XU Weiwei,WANG Cuiping and LIU Xingjun.CALPHAD Model of Thermal Expansion Coefficient in Metal Solid Solution[J].Rare Metal Materials and Engineering,2019,48(9):2873~2878.]
CALPHAD Model of Thermal Expansion Coefficient in Metal Solid Solution
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Received:March 28, 2018  Revised:May 30, 2018
Key words: thermal expansion coefficient  CALPHAD method  metal solid solution  Ni-Fe alloys
Foundation item:国家重点研发计划项目(项目号2017YFB0701603和2016YFB0701401),福建省自然科学基金项目(2016J01256)和国家自然科学基金青年基金项目(51601161)
Author NameAffiliation
DING Qi,SHI Zhan,LI Xiaofei,HAN Jiajia,XU Weiwei,WANG Cuiping and LIU Xingjun  
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      An important goal of materials genome initiative program is to build the calculation model and establish the database of physical properties of the materials, aiming to shorten the development period of the materials, reduce the cost of research and development in material and accelerate the production of new material. Although the existing model has been available for the calculation of pure component"s thermal expansion coefficient, a proper model to deal with metal solid solution"s thermal expansion coefficient is still lacking. Here, based on the calculation of phase diagram method (CALPHAD method), a model of the thermal expansion coefficient of solid solution containing ferromagnetic-paramagnetic transition is constructed by modifying the traditional heat capacity model and adding extra magnetic item. The experimental data of Ni-Fe binary system were used to assess the model parameters by Levenberg-Marquardt method. The interaction parameters in the temperature range of 300~1200K were obtained after assessment. Using assessed parameters, the thermal expansion coefficient of Ni-Fe binary alloy were calculated. Results indicated the sharp peak around Curie’s temperature precisely. The height of the peak gradually decreased as increasing Fe’s content and the shape of the thermal expansion curve changed from a peak into a valley, which were in agreement with the experimental data. This model can precisely predict the thermal expansion coefficient of any Ni-Fe binary alloy when Fe’s content is less than 50wt.%. This work provided a general calculation model for the thermal expansion coefficient in metal solid solution, and obtained the basic CALPHAD database of thermal expansion coefficient for Ni-Fe binary system, which can provide theoretical guidance for the design of low-expansion superalloy and also pave the way to establish the physical properties database of multi-element metal solid solution in the future.