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Development of first-principles multiscale and multi-nonlinear analysis method for generation of giant piezoelectric property

Research Project

Project/Area Number 26420030
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Materials/Mechanics of materials
Research InstitutionOsaka Institute of Technology

Principal Investigator

Uetsuji Yasutomo  大阪工業大学, 工学部, 教授 (00340604)

Research Collaborator Kamlah Marc  カールスルーエ工科大学
Project Period (FY) 2014-04-01 – 2017-03-31
Project Status Completed (Fiscal Year 2016)
Budget Amount *help
¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2016: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2015: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2014: ¥2,990,000 (Direct Cost: ¥2,300,000、Indirect Cost: ¥690,000)
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 / 非線形有限要素解析 / 無鉛圧電材料 / モルフォトロピック相境界
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.

Report

(4 results)
  • 2016 Annual Research Report   Final Research Report ( PDF )
  • 2015 Research-status Report
  • 2014 Research-status Report
  • Research Products

    (30 results)

All 2017 2016 2015 2014 Other

All Journal Article (5 results) (of which Peer Reviewed: 5 results,  Acknowledgement Compliant: 4 results) Presentation (24 results) (of which Int'l Joint Research: 10 results,  Invited: 3 results) Remarks (1 results)

  • [Journal Article] Multiscale numerical investigation on effective physical properties of multiferroic BaTiO3 / CoFe2O4 composites2016

    • Author(s)
      Yasutomo Uetsuji, Takeshi Wada, Kazuyoshi Tsuchiya
    • Journal Title

      International Journal of Applied Electromagnetics and Mechanics

      Volume: 52 Pages: 1245-1250

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] マルチフェロイック複合材料の電気磁気特性に及ぼす非軸分極処理の影響2016

    • Author(s)
      和田 剛,上辻靖智,槌谷和義
    • Journal Title

      スマートプロセス学会誌

      Volume: 5 Pages: 9-15

    • NAID

      130006907645

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] PZT圧電性向上に関するAu-Pt複合バッファ層の開発2016

    • Author(s)
      槌谷和義,滝田力也,上辻靖智
    • Journal Title

      スマートプロセス学会誌

      Volume: 5 Pages: 16-22

    • NAID

      130006907628

    • Related Report
      2015 Research-status Report
    • Peer Reviewed
  • [Journal Article] Computational and experimental investigation of the crystal orientation control effect on the electric permittivity and magnetic permeability of multiferroic composite materials2016

    • Author(s)
      Yasutomo Uetsuji, Takeshi Wada, Yasuyuki Uekita, Jiro Terada, Kazuyoshi Tsuchiya
    • Journal Title

      Acta Mechanica  Web公開中であるが,発刊時の巻および頁は未定.

      Volume: 未定 Issue: 8 Pages: 2879-2893

    • DOI

      10.1007/s00707-015-1526-9

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Multiscale simulation of domain switching behavior in polycrystalline ferroelectric materials2015

    • Author(s)
      Yasutomo Uetsuji, Tetsuya Hata, Tatsuya Oka, Hiroyuki Kuramae, Kazuyoshi Tsuchiya
    • Journal Title

      Computational Materials Science

      Volume: 106 Pages: 100-110

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Presentation] マルチスケール数値解析によるPZT圧電薄膜の強誘電性ヒステリシスに関する研究2017

    • Author(s)
      若林裕樹,上辻靖智
    • Organizer
      日本機械学会関西学生会平成28年度学生員卒業研究発表講演会
    • Place of Presentation
      大阪大学
    • Related Report
      2016 Annual Research Report
  • [Presentation] Multiscale numerical study on polycrystalline functional materials2016

    • Author(s)
      Yasutomo Uetsuji
    • Organizer
      5th Asian Conference on Mechanics of Functional Materials and Structures
    • Place of Presentation
      Shanghai, China
    • Year and Date
      2016-10-14
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] マルチスケール解析によるマルチフェロイック複合材料の電気磁気特性評価2016

    • Author(s)
      和田 剛,上辻靖智,槌谷和義
    • Organizer
      日本機械学会2016年度年次大会
    • Place of Presentation
      九州大学
    • Year and Date
      2016-09-11
    • Related Report
      2016 Annual Research Report
  • [Presentation] 新規無鉛圧電材料の状態図に関する第一原理計算2016

    • Author(s)
      甲斐智也,上辻靖智,槌谷和義
    • Organizer
      日本機械学会2016年度年次大会
    • Place of Presentation
      九州大学
    • Year and Date
      2016-09-11
    • Related Report
      2016 Annual Research Report
  • [Presentation] Multiscale Numerical Study on Polycrystalline Ferroelectric Solids2016

    • Author(s)
      Yasutomo Uetsuji, Tatsuya Oka
    • Organizer
      24th International Congress of Theoretical and Applied Mechanics (ICTAM 2016)
    • Place of Presentation
      Montreal, Canada
    • Year and Date
      2016-08-21
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Multiscale simulation of polycrystalline ferroelectric solids2016

    • Author(s)
      Yasutomo Uetsuji, Tatsuya Oka
    • Organizer
      12th World Congress on Computational Mechanics (WCCM XII)
    • Place of Presentation
      Seoul, Korea
    • Year and Date
      2016-07-24
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 多結晶マルチフェロイック複合材料の電気磁気効果に関するマルチスケール解析2016

    • Author(s)
      和田 剛,上辻靖智,槌谷和義
    • Organizer
      第7回日本複合材料会議
    • Place of Presentation
      京都テルサ
    • Year and Date
      2016-03-16
    • Related Report
      2015 Research-status Report
  • [Presentation] First principle study on biocompatible lead-free piezoelectric materials2015

    • Author(s)
      Tomoya Kai,Yasutomo Uetsuji, Kazuyoshi Tsuchiya
    • Organizer
      SPIE Micro+Nano Materials, Devices, and Applications 2015
    • Place of Presentation
      Sydney, Australia
    • Year and Date
      2015-12-06
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] Multiscale simulation of polycrystalline ferroelectric materials2015

    • Author(s)
      Tatsuya Oka, Yasutomo Uetsuji, Hiroyuki Kuramae, Kazuyoshi Tsuchiya
    • Organizer
      SPIE Micro+Nano Materials, Devices, and Applications 2015
    • Place of Presentation
      Sydney, Australia
    • Year and Date
      2015-12-06
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] Evaluation of additive element to improve PZT piezoelectricity by using first-principles calculation2015

    • Author(s)
      Yutaka Yasoda, Yasutomo Uetsuji, Kazuyoshi Tsuchiya
    • Organizer
      SPIE Micro+Nano Materials, Devices, and Applications 2015
    • Place of Presentation
      Sydney, Australia
    • Year and Date
      2015-12-06
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] Multiscale simulation of polycrystalline multiferroic composite materials2015

    • Author(s)
      Yasutomo Uetsuji, Takeshi Wada
    • Organizer
      EMN Bangkok Meeting on Materials
    • Place of Presentation
      Bangkok, Thailand
    • Year and Date
      2015-11-10
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] 多結晶圧電材料のマルチスケール解析 -巨視的圧電特性に及ぼす結晶形態制御の効果-2015

    • Author(s)
      上辻靖智,岡 達也,槌谷和義
    • Organizer
      第26回新構造・機能制御と傾斜機能材料シンポジウム
    • Place of Presentation
      九州大学西新プラザ
    • Year and Date
      2015-09-29
    • Related Report
      2015 Research-status Report
  • [Presentation] マルチフェロイック複合材料の電気磁気分極処理効果に関するマルチスケール解析2015

    • Author(s)
      和田 剛,上辻靖智,槌谷和義
    • Organizer
      第26回新構造・機能制御と傾斜機能材料シンポジウム
    • Place of Presentation
      九州大学西新プラザ
    • Year and Date
      2015-09-29
    • Related Report
      2015 Research-status Report
  • [Presentation] A Study of dielectric and magnetic permeability of multiferroic BaTiO3-Ni0.5Zn0.5Fe2O4 Ceramics2015

    • Author(s)
      Yasutomo Uetsuji, Yasuyuki Uekita, Jiro Terada, Kazuyoshi Tsuchiya
    • Organizer
      The 17th International Symposium on Applied Electromagnetics and Mechanics
    • Place of Presentation
      Kobe, Japan
    • Year and Date
      2015-09-15
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] Multiscale finite element analysis of multiferroic composite materials2015

    • Author(s)
      Takeshi Wada, Yasutomo Uetsuji, Kazuyoshi Tsuchiya
    • Organizer
      The 17th International Symposium on Applied Electromagnetics and Mechanics
    • Place of Presentation
      Kobe, Japan
    • Year and Date
      2015-09-15
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] モルフォトロピック相境界における多結晶PZTのマルチスケール解析2015

    • Author(s)
      岡 達也,上辻靖智,倉前 宏行,槌谷 和義
    • Organizer
      日本機械学会2015年度年次大会
    • Place of Presentation
      北海道大学
    • Year and Date
      2015-09-13
    • Related Report
      2015 Research-status Report
  • [Presentation] 第一原理計算による新規無鉛圧電材料の状態図に関する研究2015

    • Author(s)
      甲斐智也,上辻靖智,槌谷和義
    • Organizer
      日本機械学会2015年度年次大会
    • Place of Presentation
      北海道大学
    • Year and Date
      2015-09-13
    • Related Report
      2015 Research-status Report
  • [Presentation] Multiscale Modelling of Multiferroic Composite Materials2015

    • Author(s)
      Yasutomo Uetsuji, Takeshi Wada, Kazuyoshi Tsuchiya
    • Organizer
      The 9th European Solid Mechanics Conference
    • Place of Presentation
      Madrid, Spain
    • Year and Date
      2015-07-06
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] モルフォトロピック相境界における強誘電体のマルチスケール非線形解析2014

    • Author(s)
      岡 達也,上辻靖智,倉前宏行,槌谷和義
    • Organizer
      日本機械学会 第27回計算力学講演会
    • Place of Presentation
      岩手大学
    • Year and Date
      2014-11-22 – 2014-11-24
    • Related Report
      2014 Research-status Report
  • [Presentation] 第一原理計算による新規ペロブスカイト型酸化物の機能評価2014

    • Author(s)
      大門頼満,上辻靖智,槌谷和義
    • Organizer
      日本機械学会 第27回計算力学講演会
    • Place of Presentation
      岩手大学
    • Year and Date
      2014-11-22 – 2014-11-24
    • Related Report
      2014 Research-status Report
  • [Presentation] 第一原理計算による圧電材料の状態図に関する研究2014

    • Author(s)
      甲斐智也,上辻靖智,槌谷和義
    • Organizer
      日本機械学会 第27回計算力学講演会
    • Place of Presentation
      岩手大学
    • Year and Date
      2014-11-22 – 2014-11-24
    • Related Report
      2014 Research-status Report
  • [Presentation] Multiscale nonlinear analysis of ferroelectric materials at morphotropic phase boundary2014

    • Author(s)
      Tetsuya Oka, Yasutomo Uetsuji, Hiroyuki Kuramae, Kazuyoshi Tsuchiya
    • Organizer
      The Fourth Asian Conference on Mechanics of Functional Materials and Structures
    • Place of Presentation
      Nara, Japan
    • Year and Date
      2014-10-10 – 2014-10-13
    • Related Report
      2014 Research-status Report
  • [Presentation] First-principles study of novel lead-free piezoelectric materials2014

    • Author(s)
      Norimitsu Daimon, Yasutomo Uetsuji, Kazuyoshi Tsuchiya
    • Organizer
      The Fourth Asian Conference on Mechanics of Functional Materials and Structures
    • Place of Presentation
      Nara, Japan
    • Year and Date
      2014-10-10 – 2014-10-13
    • Related Report
      2014 Research-status Report
  • [Presentation] 強誘電体のマルチスケール非線形解析2014

    • Author(s)
      上辻靖智
    • Organizer
      日本機械学会 M&M2014材料力学カンファレンス
    • Place of Presentation
      福島大学
    • Year and Date
      2014-07-18 – 2014-07-21
    • Related Report
      2014 Research-status Report
  • [Remarks] 機能材料工学研究室

    • URL

      http://www.oit.ac.jp/med/~uetsuji/index.html

    • Related Report
      2016 Annual Research Report

URL: 

Published: 2014-04-04   Modified: 2018-03-22  

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