2013 Fiscal Year Final Research Report
Thermodynamic analysis of the compounds in heat resistant steels based on the CALPHAD method
| Project/Area Number |
23560850
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Structural/Functional materials
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| Research Institution | National Institute for Materials Science |
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Principal Investigator |
ABE Taichi 独立行政法人物質・材料研究機構, 先進高温材料ユニット, 主幹研究員 (50354155)
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| Project Period (FY) |
2011 – 2013
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| Keywords | カルファド法 / 耐熱鋼 / 複合窒化物 |
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| Research Abstract |
The Gibbs energy functions of the phases in the high-Cr ferritic steels have been assessed thermodynamically using the CALPHAD method. Formation enthalpy of the MX and Z phases at the ground state were estimated from ab initio calculations in various combinations of transition elements from 3a to 3b groups. Of the combinations, the Z phase with Ta-, Sc-, V- group elements exhibited very low formation enthalpy. This suggests that they are significantly stable; thus these Z phases can be used as a strengthening factor of the high-Cr ferritic steels instead of the fine dispersed MX phases. The calculated phase equilibria are in good agreement with experimental data of the commercial ally (T91). The assessed Gibbs energy functions of the phases have been opened for public through the website named "NIMS thermodynamic database". From the website, the database files can be downloaded and reproduce the present results.
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