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Development of a Ferroelastic Constitutive Model Using Micro-Mesodynamics Coupling and Its Application to SOFC

Research Project

Project/Area Number 19K14845
Research Category

Grant-in-Aid for Early-Career Scientists

Allocation TypeMulti-year Fund
Review Section Basic Section 18010:Mechanics of materials and materials-related
Research InstitutionKeio University

Principal Investigator

Muramatsu Mayu  慶應義塾大学, 理工学部(矢上), 講師 (20609036)

Project Period (FY) 2019-04-01 – 2022-03-31
Project Status Completed (Fiscal Year 2021)
Budget Amount *help
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2020: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Fiscal Year 2019: ¥2,340,000 (Direct Cost: ¥1,800,000、Indirect Cost: ¥540,000)
KeywordsSOFC / FEM / MD / 固体酸化物燃料電池 / 強弾性 / Phase-field / ミクロ・メゾダイナミクス / 構成モデル
Outline of Research at the Start

本研究では,新たにミクロ-メゾ構成モデル相互連成手法を開発する.得られた構成モデルを熱・電気化学-力学SOFC解析技術へと導入する.その際,ミクロ-メゾ連成相互作用に基づいて強弾性現象を調査し,応力-ひずみ関係における非線形性の発現機構を明らかにする.さらに,SOFCシミュレータによる数値解析と実機SOFCによる実験から数値解析の検証を行うとともに長寿命SOFCの設計指針を提案する.

Outline of Final Research Achievements

In order to develop a mathematical model that can represent the ferroelastic phenomena in SOFCs considering the microstructural evolution of lanthanum strontium cobalt ferrite (LSCF), which is used as the air electrode of solid oxide fuel cells (SOFCs), molecular dynamics analysis was employed to construct an analytical method and model, and numerical analysis was conducted. The numerical analysis was carried out.
In the deformation process of perovskite LSCFs, intense atom diffusion and reactions accompanying the change from cubic to rhombohedral crystals occur during the development of the band structure, and it is considered that the atom behavior and band structure development respectively induce the stress nonlinearity in ferroelasticity.
In this study, molecular dynamics-mechanics elemental analysis is applied to this problem.

Academic Significance and Societal Importance of the Research Achievements

本研究では,弾性エネルギーを考慮したエネルギー汎関数からフェーズフィールドモデルを導出した.強弾性モデルに基づき単結晶の強弾性解析を行いラメラ構造やヘリンボーン構造など観察される構造が数値解析的にも得られることがわかった.さらに分子動力学シミュレーションを実施し,フェーズフィールドモデルに適応する手法を開発した.また,有限要素解析より分子動力学シミュレーションのモデルに強制変位を与える手法も開発した.得られた分子動力学-有限要素連成シミュレーションの結果積分点毎に分子モデルに異なる変形を与え,一度に一つの要素が受ける変形に関して複数の変形のテストケースを試すことが可能となった.

Report

(4 results)
  • 2021 Annual Research Report   Final Research Report ( PDF )
  • 2020 Research-status Report
  • 2019 Research-status Report
  • Research Products

    (18 results)

All 2021 2020 2019 Other

All Int'l Joint Research (3 results) Journal Article (4 results) (of which Peer Reviewed: 4 results,  Open Access: 4 results) Presentation (10 results) (of which Int'l Joint Research: 4 results) Remarks (1 results)

  • [Int'l Joint Research] Eindhoven University of Technology(オランダ)

    • Related Report
      2021 Annual Research Report
  • [Int'l Joint Research] Eindhoven University of Technology(オランダ)

    • Related Report
      2020 Research-status Report
  • [Int'l Joint Research] Eindhoven University of Technology(オランダ)

    • Related Report
      2019 Research-status Report
  • [Journal Article] Substitution approach for decoupled two-scale analysis of materially nonlinear composite plates", Computers and Structures2021

    • Author(s)
      Sato, M., Muramatsu, M., Nishi, S., Kawada, T., Terada, K.
    • Journal Title

      Computers and Structures

      Volume: 255 Pages: 1-21

    • DOI

      10.1016/j.compstruc.2021.106623

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Development of Phase-field Model Based on Balance Laws and Thermodynamic Discussion2021

    • Author(s)
      Muramatsu, M. and Shizawa, K.
    • Journal Title

      AIP Advances

      Volume: 10 Issue: 9

    • DOI

      10.1063/5.0021881

    • Related Report
      2020 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] A phase-field ductile fracture model with a variable regularization length parameter2020

    • Author(s)
      韓霽珂, 西紳之介, 高田賢治, 村松眞由, 大宮正毅, 小川賢介, 生出佳, 小林卓哉, 村田真伸, 森口周二, 寺田賢二郎
    • Journal Title

      Transactions of the Japan Society for Computational Engineering and Science

      Volume: 2020 Issue: 0 Pages: 20200005-20200005

    • DOI

      10.11421/jsces.2020.20200005

    • NAID

      130007831725

    • ISSN
      1347-8826
    • Year and Date
      2020-04-15
    • Related Report
      2019 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Discrete Conservation Laws Based on Micropolar Theory Considering Lattice-Scale-Director During Phase Transformation2019

    • Author(s)
      Muramatsu, M. and Shizawa, K.
    • Journal Title

      AIP Advances

      Volume: 9 Issue: 8 Pages: 1-15

    • DOI

      10.1063/1.5100774

    • Related Report
      2019 Research-status Report
    • Peer Reviewed / Open Access
  • [Presentation] An Investigation of the Effect of Deformation Twinning on the Ductility of Nano-polycrystalline Aluminum Using an Atomic-continuum Multiscale Simulation Method2021

    • Author(s)
      Yamazaki, Y.*, Murashima, T., Muramatsu, M.
    • Organizer
      XVI International Conference on Computational Plasticity (COMPLAS2021)
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] ナノ多結晶アルミニウムにおける双晶と延性に対する原子-連続体マルチスケール解析2021

    • Author(s)
      山嵜祐輔*,村島隆浩,村松眞由
    • Organizer
      第26回計算工学講演会
    • Related Report
      2021 Annual Research Report
  • [Presentation] ナノ多結晶アルミニウムにおける双晶と延性に関する原子-連続体マルチスケールシミュレーション2021

    • Author(s)
      山嵜祐輔*,村松眞由,村島隆浩
    • Organizer
      日本機械学会関東学生会第60回学生員卒業研究発表講演会
    • Related Report
      2021 Annual Research Report
  • [Presentation] Estimation of transition zone in phase-field crack model based on molecular dynamics2021

    • Author(s)
      Satake, K., Okada, K., Muramatsu, M.
    • Organizer
      14th World Congress in Computational Mechanics and ECCOMAS (WCCM2020)
    • Related Report
      2020 Research-status Report
    • Int'l Joint Research
  • [Presentation] Phase-field Crack Analysis Using Estimation of Transition Zone of Crackby Molecular Dynamics Simulation2020

    • Author(s)
      Satake, K., Okada, K., Muramatsu, M.
    • Organizer
      3rd International Conference on Computational Engineering and Science for Safety and Environmental Problems (COMPSAFE2020)
    • Related Report
      2020 Research-status Report
    • Int'l Joint Research
  • [Presentation] 分子動力学シミュレーションによる損傷幅を用いた Phase-field Crackシミュレーション2020

    • Author(s)
      佐竹寛,岡田清志郎,村松眞由
    • Organizer
      第25回計算工学講演会
    • Related Report
      2020 Research-status Report
  • [Presentation] Multi-scale analysis of plate-shaped solid oxide fuel cell based on substitution approach2019

    • Author(s)
      Sato, M., Muramatsu, M., Shinnosuke Nishi, Terada, K., Kawada, T.
    • Organizer
      Asian Pacific Congress on Computational Mechanics (APCOM 2019)
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research
  • [Presentation] 変形場と損傷パラメータ場の連成シミュレーション2019

    • Author(s)
      村松眞由, 寺田賢二郎
    • Organizer
      第24回計算工学講演会
    • Related Report
      2019 Research-status Report
  • [Presentation] 非弾性複合板の代替アプローチを用いた非定常熱応力解析2019

    • Author(s)
      佐藤維美,村松眞由,西紳之介,寺田賢二郎,川田達也
    • Organizer
      第24回計算工学講演会
    • Related Report
      2019 Research-status Report
  • [Presentation] 代替アプローチを使用した平板型固体酸化物形燃料電池のマルチスケール解析2019

    • Author(s)
      佐藤維美,村松眞由,西紳之介,寺田賢二郎,川田達也
    • Organizer
      第32回日本機械学会計算力学講演会
    • Related Report
      2019 Research-status Report
  • [Remarks] https://muramatsu.mech.keio.ac.jp/

    • Related Report
      2019 Research-status Report

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Published: 2019-04-18   Modified: 2025-01-30  

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