AB-INITIO CALCULATIONS FOR IMPURITY INTERACTION ENERGIES AND LATTICE DISTORTION IN METALS (Al, Fe)
| Project/Area Number |
20560619
|
|---|
| Research Category |
Grant-in-Aid for Scientific Research (C)
|
| Allocation Type | Single-year Grants |
|---|
| Section | 一般 |
|---|
| Research Field |
Physical properties of metals
|
|---|
| Research Institution | Niihama National College of Technology |
|---|
Principal Investigator |
ASATO Mitsuhiro Niihama National College of Technology, 数理科, 准教授 (20353261)
|
|---|
| Co-Investigator(Kenkyū-buntansha) |
HOSHINO Toshiharu 静岡大学, 創造科学技術大学院, 教授 (70157014)
|
|---|
| Co-Investigator(Renkei-kenkyūsha) |
KAWAKAMI Kazuto 新日本製鐵株式会社技術開発本部, 先端技術研究所, 主任研究員 (50373741)
|
|---|
| Project Period (FY) |
2008 – 2010
|
| Project Status |
Completed (Fiscal Year 2010)
|
| Budget Amount *help |
¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Fiscal Year 2010: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2009: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2008: ¥3,120,000 (Direct Cost: ¥2,400,000、Indirect Cost: ¥720,000)
|
|---|
| Keywords | 第一原理計算 / 密度汎関数法 / 一般化密度勾配近似 / KKR-Green関数法 / 格子欠陥 / 鉄鋼材料 |
|---|
| Research Abstract |
Using the ab-initio calculations of the KKR-Green's function method based on the GGA of the density functional method, we have calculated the impurity interatomic interaction energies in metals and clarified the mechanism of the interactions
|
Report
(4 results)
Research Products
(28 results)
