2011 Fiscal Year Final Research Report
Study on anisotropic elasticity theory and development of computer code for lattice defects
| Project/Area Number |
20560616
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Physical properties of metals
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| Research Institution | Kyushu University |
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Principal Investigator |
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| Project Period (FY) |
2008 – 2011
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| Keywords | 異方性弾性論 / 転位 / 照射損傷 / 計算材料物理 / 空孔 / 第一原理計算 / 核融合 / 格子欠陥 |
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| Research Abstract |
Integral form of stress function was obtained for a dislocation loop in an anisotropic elastic body. According to the integral form, simulation code was made to calculate the interaction energy between dislocation loops of arbitrary shapes. As an application of the elasticity theory, first-principle calculations were performed under a flexible boundary condition. The relation between the optimized cell volume and cohesive energy could be explained in terms of the elasticity theory. In addition, many unknown hydrogen configurations were found in monovacancy in BCC metals.
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