CALTPP:A general program to calculate thermophysical properties
来源期刊：JOURNAL OF MATERIALS SCIENCE TECHNOLOG2020年第7期
论文作者：Yuling Liu Cong Zhang Changfa Du Yong Du Zhoushun Zheng Shuhong Liu Lei Huang Shiyi Wen Youliang Jin Huaqing Zhang Fan Zhang George Kaptay
文章页码：229 - 240
摘 要：A program CALTPP（CALculation of ThermoPhysical Properties） is developed in order to provide various thermophysical properties such as diffu sion coefficient,interfacial energy,thermal conductivity,viscosity and molar volume mainly as function of temperature and composition.These thermophysical properties are very important inputs for microstructure simulations and mechanical property predictions.The general structure of CALTPP is briefly described,and the CALPHAD-type models for the description of these thermophysical properties are presented.The CALTPP program contains the input module,calculation and/or optimization modules and output module.A few case studies including（a） the calculation of diffusion coefficient and optimization of atomic mobility,（b） the calculation of solid/liquid,coherent solid/solid and liquid/liquid interfacial energies,（c） the calculation of thermal conductivity,（d） the calculation of viscosity,and（e） the establishment of molar volume database in binary and te rnary alloys are demonstrated to show the features of CALTPP.It is expected that CALTPP will be an effective contribution in both scientific research and education.
Yuling Liu1，Cong Zhang2，Changfa Du3，Yong Du1，Zhoushun Zheng3，Shuhong Liu1，Lei Huang1，Shiyi Wen1，Youliang Jin1，Huaqing Zhang1，Fan Zhang4，George Kaptay5
1. State Key Lab of Powder Metallurgy, Central South University2. Collaborative Innovation Center of Steel Technology, University of Science and Technology Beijing3. School of Mathematics and Statistics, Central South University4. School of Materials Science and Engineering, Xiangtan University5. Department of Nanotechnology, University of Miskolc
摘 要：A program CALTPP（CALculation of ThermoPhysical Properties） is developed in order to provide various thermophysical properties such as diffu sion coefficient,interfacial energy,thermal conductivity,viscosity and molar volume mainly as function of temperature and composition.These thermophysical properties are very important inputs for microstructure simulations and mechanical property predictions.The general structure of CALTPP is briefly described,and the CALPHAD-type models for the description of these thermophysical properties are presented.The CALTPP program contains the input module,calculation and/or optimization modules and output module.A few case studies including（a） the calculation of diffusion coefficient and optimization of atomic mobility,（b） the calculation of solid/liquid,coherent solid/solid and liquid/liquid interfacial energies,（c） the calculation of thermal conductivity,（d） the calculation of viscosity,and（e） the establishment of molar volume database in binary and te rnary alloys are demonstrated to show the features of CALTPP.It is expected that CALTPP will be an effective contribution in both scientific research and education.
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