2012 Fiscal Year Final Research Report
Slow dynamics modeling of nano-scaled materials deformation
| Project/Area Number |
22656030
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| Research Category |
Grant-in-Aid for Challenging Exploratory Research
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| Allocation Type | Single-year Grants |
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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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| Co-Investigator(Kenkyū-buntansha) |
KIMIZUKA Hajime 大阪大学, 基礎工学研究科, 准教授 (60467511)
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| Project Period (FY) |
2010 – 2012
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| Keywords | スローダイナミクス / 時間スケール粗視化 / 分子動力学法 / 自由エネルギー / 炭素 / 鉄 / 拡散 |
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| Research Abstract |
We developed modeling methods for nanoscale slow dynamics in materials and confirmed its availability by applying them to actual slow dynamics problems. We achieved the following six objectives.
(1) Development of accelerated moleculardynamics modeling theory
(2) Development of multi-replica molecular dynamics simulation code
(3) Development of improved accelerated molecular dynamics method (adaptive boost method)
(4) Understanding of deformation mechanism of nanocrystalline metals
(5) Understanding of relation between local atomic structure and local mechanical properties in metallic glass systems
(6) Modeling of dislocation -solute atom coupling dynamics.
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Research Products
(18 results)
