| Budget Amount *help |
¥122,000,000 (Direct Cost: ¥122,000,000)
Fiscal Year 2011: ¥14,700,000 (Direct Cost: ¥14,700,000)
Fiscal Year 2010: ¥31,300,000 (Direct Cost: ¥31,300,000)
Fiscal Year 2009: ¥21,300,000 (Direct Cost: ¥21,300,000)
Fiscal Year 2008: ¥34,300,000 (Direct Cost: ¥34,300,000)
Fiscal Year 2007: ¥20,400,000 (Direct Cost: ¥20,400,000)
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| Research Abstract |
Functional elements play a determinantal role in the superb properties of advanced materials. In this study we developed a computational approach based on the state-of-the-art first-principles thermodynamics, which allows us to accurately determine and design the local environments and electronic structure of functional elements in materials under given temperature, pressure, and chemical potentials. Through the applications of this approach to a wide variety of materials, we systematized the nature of functional elements and established a new concept in materials developments.
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