| Budget Amount *help |
¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2019: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2018: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2017: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2016: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
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| Outline of Final Research Achievements |
The present research focuses on spacial constraint on constituent particles of given systems, developing new theoretical approach enabling to describe physical properties for crystalline solids in thermodynamic equilibrium: We establish new calculation methodology with much higher efficiency that existing methods for predicting temperature-dependence of physical properties in multicomponent alloys.
Consequently, we elucidate a set of a few specially-selected microscopic states independent of energy and of temperature, which can characterize temperature dependence of microscopic states and/or free energy for thermodynamically equilibrium states. By applying these states to first-principles calculations, we find (i) that Short-range ordering for ternary, quaternary and quinary systems can be systematically characterized only by geometric information about constituent elements, and (ii) condition for performing stable inverse-prediction from measured structure to many-body interactions.
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