| Budget Amount *help |
¥18,070,000 (Direct Cost: ¥13,900,000、Indirect Cost: ¥4,170,000)
Fiscal Year 2011: ¥2,860,000 (Direct Cost: ¥2,200,000、Indirect Cost: ¥660,000)
Fiscal Year 2010: ¥6,110,000 (Direct Cost: ¥4,700,000、Indirect Cost: ¥1,410,000)
Fiscal Year 2009: ¥9,100,000 (Direct Cost: ¥7,000,000、Indirect Cost: ¥2,100,000)
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| Research Abstract |
Point defect energetics of dopants and carbonated ions in hydroxyapatite(HAP) was investigated by first-principles analyses involving aqueous solution environment effects. It was found that Zn^2+ substitutes for Ca^2+ in HAP more favorably than Mg^2+ does, due to the four-fold coordinated atomic structure in HAP. Ca^2+ vacancies neighboring substitutional Zn^2+ can also contribute to stabilization of substitutional Zn^2+. Moreover, it was found that CO-3^2. is energetically favorably located at an OH^-site in a high temperature condition, which is in good agreement with an experimental fact of formation of A-type carbonated apatite at a high temperature.
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