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Relations between Parameters in Different Sublattice Configurations for CALPHAD-Type Thermodynamic Assessments

Materials Transactions

2014年10月18日(土)

Vol. 55, No. 11 (2014) pp. 1683 to 1688 ( Taichi ABE, Kiyoshi HASHIMOTO, Ryoji SAHARA, Cenk KOCER )

Abstract

For interstitial solid solutions various sublattice configurations have been applied in CALPHAD-type thermodynamic assessments. Toconstruct a thermodynamic database for multi-component systems from the assessed binary andternary systems, one difficulty is consistency ofthe thermodynamic models for those phases with sublattices. Previously, to combine parametersof the different sublattice configurations for thesame phase, the thermodynamic assessment would need to be repeated. In the present work, wepropose a simple method to convert parametersbetween the different sublattice configurations and demonstrate that the present parameterconversions work well for the Al-B, C-Fe, and O-Tibinary systems. Although it is a simple conversion process utilizing the known parameters, for thecase where the valid composition range islimited, the thermodynamic database can be determined for multi-component systems.Furthermore, if a reassessment is required the conversioncan be used to estimate initial values for the parameter optimization.

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本研究の一部は、JSPS科研費23560850の支援を受けたものである。


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東工大元素戦略拠点 (東京工業大学)
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構造材料元素戦略研究拠点 (京都大学)
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