| Project/Area Number |
15K13835
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| Research Category |
Grant-in-Aid for Challenging Exploratory Research
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| Allocation Type | Multi-year Fund |
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| Research Field |
Materials/Mechanics of materials
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| Research Institution | Osaka University |
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Principal Investigator |
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| Research Collaborator |
LEI Xiao-Wen 福井大学, 学術研究院工学系部門, 講師 (50726148)
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| Project Period (FY) |
2015-04-01 – 2018-03-31
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| Project Status |
Completed (Fiscal Year 2017)
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| Budget Amount *help |
¥3,770,000 (Direct Cost: ¥2,900,000、Indirect Cost: ¥870,000)
Fiscal Year 2017: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2016: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2015: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
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| Keywords | トポロジカル欠陥 / ナノ構造 / 形態形成論 / 分子動力学 / 連続体力学 / 曲率 / 曲面 |
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| Outline of Final Research Achievements |
A model of computational mechanics for lattice defects is formulated based on finite deformation theory. Nucleation and motion of a pair of pentagon-heptagon defects from a Stone-Wales defects in a two-dimensional nano-carbon structure is analysed using molecular dynamics simulation, and a lattice defect model is improved. Local stability of the structure of topological defects is studied, and the transition energy on a minimum energy path from a stable state to another stable state is evaluated by using nudged elastic band method. According to the series of studies, how to design the dynamics of topological defects in a processes of deformation and structural changes (i.e. nucleation, motion and annihilation) is formulated in a viewpoint of transport phenomena.
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