2016 Fiscal Year Final Research Report
Development of first-principles multiscale and multi-nonlinear analysis method for generation of giant piezoelectric property
| Project/Area Number |
26420030
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Materials/Mechanics of materials
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| Research Institution | Osaka Institute of Technology |
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Principal Investigator |
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| Research Collaborator |
Kamlah Marc カールスルーエ工科大学
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| Project Period (FY) |
2014-04-01 – 2017-03-31
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| Keywords | 機械材料・材料力学 / マルチスケール解析 / 第一原理計算 / ドメイン・スイッチング / 構造相転移 |
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| Outline of Final Research Achievements |
The goal of this study is development of the first-principles multiscale and multi-nonlinear analysis method for novel lead-free materials to generate giant piezoelectric property. It is a salient feature that there is a coexistence region of some different crystal phases such as tetragonal and rhombohedral phases, which is morphotropic phase boundary (MPB). Multiple-phase materials at MPB is easy to pole and exhibits superior piezoelectric performance by domain switching and structural phase transition. The first-principles calculation was employed for determination of coexistent crystal phases, characterization of crystal structure and criterion of crystal transition. The asymptotic homogenization theory was utilized for scale bridging between microstructural morphology changes and macrostructural nonlinear behaviors. The developed method can play a leading role in discovery of novel materials.
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| Free Research Field |
機械材料・材料力学
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