| Budget Amount *help |
¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Fiscal Year 2016: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2015: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2014: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
|
|---|
| Outline of Final Research Achievements |
In this project we have developed the new technique based on the themodynamic integration method and first principles molecular dynamics simulation to determine the Gibbs free energy of hydrous materials, in order to estimate the partition coefficients of hydrogen between mantle phases. Since we found that large scale computation is needed in order to quantitatively estimate the free energy, we have also developed this method that can be conducted on supercomputer.
|
