| Project/Area Number |
25800218
|
|---|
| Research Category |
Grant-in-Aid for Young Scientists (B)
|
| Allocation Type | Multi-year Fund |
|---|
| Research Field |
Mathematical physics/Fundamental condensed matter physics
|
|---|
| Research Institution | Osaka University |
|---|
Principal Investigator |
|
|---|
| Project Period (FY) |
2013-04-01 – 2015-03-31
|
| Project Status |
Completed (Fiscal Year 2014)
|
| Budget Amount *help |
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2014: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2013: ¥3,510,000 (Direct Cost: ¥2,700,000、Indirect Cost: ¥810,000)
|
|---|
| Keywords | 遺伝的アルゴリズム / ポテンシャルエネルギー面トレッキング / 結晶構造探索 / 固体水素 / 超伝導 / 零点振動エネルギー / 構造探索 / 固体水素金属相 / ゼロ点振動エネルギー計算 |
|---|
| Outline of Final Research Achievements |
This project consists of two subjects: (i) development of crystal structure prediction algorithm and (ii) search for room-temperature superconducting phase in solid hydrogen. On the former, I devised a new algorithm, potential energy surface trekking, combined it with first-principles calculations, and applied it to carbon at terapascal pressures. On the latter, I predicted an orthorhombic structure with a metallic state in solid hydrogen using first-principles genetic algorithm technique, and theoretically obtained the superconducting transition temperature of up to 350 K in the new structure. These results show that the goal of this project is accomplished with success, and are expected to have an impact on the field of high-pressure materials science.
|
