| Budget Amount *help |
¥45,760,000 (Direct Cost: ¥35,200,000、Indirect Cost: ¥10,560,000)
Fiscal Year 2020: ¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
Fiscal Year 2019: ¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
Fiscal Year 2018: ¥5,590,000 (Direct Cost: ¥4,300,000、Indirect Cost: ¥1,290,000)
Fiscal Year 2017: ¥7,280,000 (Direct Cost: ¥5,600,000、Indirect Cost: ¥1,680,000)
Fiscal Year 2016: ¥24,310,000 (Direct Cost: ¥18,700,000、Indirect Cost: ¥5,610,000)
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| Outline of Final Research Achievements |
In this study, by first-principles calculation-based ground state analysis using Convex hull, the authors challenged to develop a technique to calculate the relative stability in which the objective phase has for other phases and a methodology to overcome the metastability, and examined the effectiveness and problem of electronic calculation phase diagram. Comparing the theoretical phase diagrams with the experimental ones, a slightly different equilibrium was found between them, but the phase boundary was reproduced by correcting the free energy back and forth for several kJ/mol, which indicates that this technique is very useful in the phase diagram calculation.
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