Study of random grain boundary structures by geometrical approach

• Project/Area Number: 15K06420
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Research Field: Physical properties of metals/Metal-base materials
• Research Institution: Tohoku University
• Principal Investigator: Kazutoshi Inoue 東北大学, 材料科学高等研究所, 助教 (60743036)
• Co-Investigator(Kenkyū-buntansha): 斎藤 光浩 東京大学, 大学院工学系研究科(工学部), 客員共同研究員 (00510546) ; 王 中長 東北大学, 材料科学高等研究所, 准教授 (20510548)
• Co-Investigator(Renkei-kenkyūsha): IKUHARA Yuichi 東京大学, 工学系研究科総合研究機構, 教授 (70192474) ; KOTANI Motoko 東北大学, 大学院理学研究科, 教授 (50230024)
• Project Period (FY): 2015-04-01 – 2018-03-31
• Project Status: Completed (Fiscal Year 2017)
• Budget Amount: ¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000); Fiscal Year 2017: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000); Fiscal Year 2016: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000); Fiscal Year 2015: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
• Keywords: 傾角粒界 / バイクリスタル / 構造ユニット / 転位

Outline of Final Research Achievements

Atomic structure of symmetrical tilt GBs are analyzed from mathematical perspective. The structures of symmetrical tilt GBs can be described by a part of quasi-periodical arrangements of structural units as a realization of the lowest energy structure. Then, reference structures can linearly interpolate intermediate GBs. The major structures were well predicted by a simple decomposition formula of symmetrical tilt GBs with an algorithm due to the Farey sequence. The arrangement of structural units can be derived so as to maximize the separation of minority units which can be applicable to other GBs. The fundamental theory is necessary to be established for determining the reference structures and the stable atomic arrangements of grain boundaries.

Research Products

• [Journal Article] Multiphase nanodomains in a strained BaTiO3 film on a GdScO3 substrate (2018)
  • Author(s): Kobayashi Shunsuke、Inoue Kazutoshi、Kato Takeharu、Ikuhara Yuichi、Yamamoto Takahisa
  • Journal Title: Journal of Applied Physics Volume: 123 Issue: 6 Pages: 064102-064102
  • DOI: 10.1063/1.5012545
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Direct Determination of Atomic Structure and Magnetic Coupling of Magnetite Twin Boundaries (2018)
  • Author(s): Chunlin Chen, Hongping Li, Takehito Seki, Deqiang Yin, Gabriel Sanchez-Santolino, Kazutoshi Inoue, Naoya Shibata, Yuichi Ikuhara
  • Journal Title: ACS Nano Volume: 12 Issue: 3 Pages: 2662-2668
  • DOI: 10.1021/acsnano.7b08802
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Atomic-Scale Origin of the Quasi-One-Dimensional Metallic Conductivity in Strontium Niobates with Perovskite-Related Layered Structures (2017)
  • Author(s): Chen Chunlin、Yin Deqiang、Inoue Kazutoshi、Lichtenberg Frank、Ma Xiuliang、Ikuhara Yuichi、Bednorz Johannes Georg
  • Journal Title: ACS Nano Volume: 11 Issue: 12 Pages: 12519-12525
  • DOI: 10.1021/acsnano.7b06619
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Analysis of Periodic Atomic Structures in Grain Boundaries by Number Theory (2017)
  • Author(s): 井上和俊、斎藤光浩、小谷元子、幾原雄一
  • Journal Title: Materia Japan Volume: 56 Issue: 10 Pages: 589-596
  • DOI: 10.2320/materia.56.589
  • NAID: 130006109914
  • ISSN: 1340-2625, 1884-5843
  • Peer Reviewed / Open Access
• [Journal Article] Structure of Tilt Grain Boundaries from Mathematical Perspective (2017)
  • Author(s): Kazutoshi Inoue, Motoko Kotani, Yuichi Ikuhara
  • Journal Title: 九州大学マス・フォア・インダストリ研究所レクチャーノート Volume: 77 Pages: 89-100
  • Peer Reviewed / Open Access
• [Journal Article] Structure of <110>-tilt boundaries in cubic zirconia (2017)
  • Author(s): Kazutoshi Inoue, Bin Feng, Naoya Shibata, Motoko Kotani, Yuichi Ikuhara
  • Journal Title: Journal of Materials Science Volume: 52 Issue: 8 Pages: 4278-4287
  • DOI: 10.1007/s10853-016-0682-1
  • Peer Reviewed
• [Journal Article] Mathematical analysis and STEM observations of arrangement of structural units in < 001 > symmetrical tilt grain boundaries (2016)
  • Author(s): Kazutoshi Inoue, Mitsuhiro Saito, Chunlin Chen, Motoko Kotani, Yuichi Ikuhara
  • Journal Title: Microscopy Volume: 65 Issue: 6 Pages: 479-487
  • DOI: 10.1093/jmicro/dfw034
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Mathematical Analysis of Tilt Boundaries and STEM Observations (2016)
  • Author(s): 井上和俊, 斎藤光浩, 陳春林, 小谷元子, 幾原雄一
  • Journal Title: Materia Japan Volume: 55 Issue: 12 Pages: 582-582
  • DOI: 10.2320/materia.55.582
  • NAID: 130005170220
  • ISSN: 1340-2625, 1884-5843
  • Peer Reviewed / Open Access
• [Journal Article] Interfacial Atomic Structure of Twisted Few-Layer Graphene (2016)
  • Author(s): R. Ishikawa, N. Lugg, K. Inoue, H. Sawada, T. Taniguchi, N. Shibata, Y. Ikuhara
  • Journal Title: Scientific Reports Volume: 6 Issue: 1 Pages: 21273-21273
  • DOI: 10.1038/srep21273
  • Peer Reviewed / Open Access / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] The Decomposition Formula of &lang;001&rang; Symmetrical Tilt Grain Boundaries (2015)
  • Author(s): K. Inoue, M. Saito, Z. C. Wang, M. Kotani, Y. Ikuhara
  • Journal Title: MATERIALS TRANSACTIONS Volume: 56 Issue: 12 Pages: 1945-1952
  • DOI: 10.2320/matertrans.M2015277
  • NAID: 130005110139
  • ISSN: 1345-9678, 1347-5320
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] On the Periodicity of &lang;001&rang; Symmetrical Tilt Grain Boundaries (2015)
  • Author(s): K. Inoue, M. Saito, Z. C. Wang, M. Kotani, Y. Ikuhara
  • Journal Title: MATERIALS TRANSACTIONS Volume: 56 Issue: 3 Pages: 281-287
  • DOI: 10.2320/matertrans.M2014394
  • NAID: 130004825278
  • ISSN: 1345-9678, 1347-5320
  • Peer Reviewed / Open Access
• [Presentation] 整数論的手法による粒界原子構造予測 (2018)
  • Author(s): 井上和俊, 小谷元子, 幾原雄一
  • Organizer: 日本物理学会第73回年次大会(千葉)
  • Invited
• [Presentation] 粒界構造ユニットモデル再考 (2018)
  • Author(s): 井上和俊, 斎藤光浩, 小谷元子, 幾原雄一
  • Organizer: 日本金属学会春期講演大会(千葉工業大学)
• [Presentation] Grain boundary characterization by combining atom-resolved STEM and Mathematics (2018)
  • Author(s): Kazutoshi Inoue, Mitsuhiro Saito, Chunlin Chen, Motoko Kotani, Yuichi Ikuhara
  • Organizer: Kick-off Symposium for World Leading Research Centers(仙台)
  • Int'l Joint Research
• [Presentation] Structures of Grain Boundaries and Atomic-scale Observation (2017)
  • Author(s): K. Inoue, M. Saito, C.L. Chen, M. Kotani, Y. Ikuhara
  • Organizer: AIMR International Symposium 2017
  • Place of Presentation: 仙台国際センター
  • Year and Date: 2017-02-13
  • Int'l Joint Research
• [Presentation] Structure of Tilt Grain Boundaries from Mathematical Perspective (2017)
  • Author(s): Kazutoshi Inoue, Motoko Kotani, Yuichi Ikuhara
  • Organizer: Mathematics in Interface, Dislocation and Structure of Crystals(福岡)
  • Int'l Joint Research / Invited
• [Presentation] 粒界構造ユニットにおける選択的偏析現象 (2017)
  • Author(s): 井上和俊, 尹徳強, 斎藤光浩, 小谷元子, 幾原雄一
  • Organizer: 日本金属学会秋期講演大会（北海道大学）
• [Presentation] 粒界幾何学と原子分解能STEM観察 (2017)
  • Author(s): 井上和俊, 斎藤光浩, 王中長, 小谷元子, 幾原雄一
  • Organizer: 日本顕微鏡学会第73回学術講演会（札幌)
• [Presentation] Selective segregation at grain-boundary structural units in MgO (2017)
  • Author(s): 井上和俊, 尹徳強, 斎藤光浩, 陳春林, 小谷元子, 幾原雄一
  • Organizer: 物性研スパコン共同利用・CCMS合同研究会(東京大学)
• [Presentation] 対称傾角粒界の数理とSTEM観察 (2017)
  • Author(s): 井上 和俊, 盧 智英, 小谷 元子, 幾原 雄一
  • Organizer: 日本金属学会2017年春期講演大会
  • Place of Presentation: 首都大学東京
  • Invited
• [Presentation] Mathematical Analysis and STEM observations of Symmetrical Tilt Grain Boundaries (2016)
  • Author(s): K. Inoue, M. Saito, M. Kotani, Y. Ikuhara
  • Organizer: XV International Conference on Intergranular and Interphase Boundaries in Materials (iib2016)
  • Place of Presentation: National University of Science and Technology MISiS, Moscow, Russia
  • Year and Date: 2016-05-23
  • Int'l Joint Research
• [Presentation] Mathematical Analysis and STEM observations of Symmetrical Tilt Grain Boundaries (2016)
  • Author(s): K. Inoue, M. Saito, C.L. Chen, M. Kotani, Y. Ikuhara
  • Organizer: The 5th International Symposium on Advanced Microscopy and Theoretical Calculations (AMTC5)
  • Place of Presentation: ウインクあいち
  • Year and Date: 2016-05-11
  • Int'l Joint Research
• [Presentation] Structure of Symmetrical Tilt Grain Boundaries (2016)
  • Author(s): K. Inoue, M. Saito, M. Kotani, Y. Ikuhara
  • Organizer: A3 mini-Workshop on Soft Matter
  • Place of Presentation: 北京（中国）
  • Year and Date: 2016-03-24
  • Int'l Joint Research
• [Presentation] The Mathematical Structure of Symmetrical Tilt Grain Boundaries (2016)
  • Author(s): K. Inoue, M. Saito, M. Kotani, Y. Ikuhara
  • Organizer: The AIMR International Symposium 2016
  • Place of Presentation: 仙台国際センター(宮城県・仙台市)
  • Year and Date: 2016-02-22
• [Presentation] イットリア安定化ジルコニア粒界構造の数学的予測とSTEM観察 (2016)
  • Author(s): 井上和俊, Feng Bin, 柴田直哉, 小谷元子, 幾原雄一
  • Organizer: 日本金属学会2016年秋期講演大会
  • Place of Presentation: 大阪大学
• [Presentation] 粒界幾何学と原子分解能STEM観察 (2016)
  • Author(s): 井上和俊, 斎藤光浩, 陳春林, 小谷元子, 幾原雄一
  • Organizer: 日本顕微鏡学会第72回学術講演会
  • Place of Presentation: 仙台国際センター
• [Presentation] Structure of Grain Boundaries in Ceramic Materials from Mathematical Perspective (2016)
  • Author(s): K. Inoue, B. Feng, N. Shibata, M. Kotani and Y. Ikuhara
  • Organizer: Russia-Japan Workshop on Advanced Materials
  • Place of Presentation: メルパルク京都
  • Int'l Joint Research / Invited
• [Presentation] Grain Boundary Geometry and STEM Observations (2016)
  • Author(s): K. Inoue, M. Saito, C.L. Chen, M. Kotani, Y. Ikuhara
  • Organizer: 23rd International Symposium on Metastable, Amorphous and Nanostructured Materials (ISMANAM2016)
  • Place of Presentation: 奈良春日野国際フォーラム
  • Int'l Joint Research
• [Presentation] 対称傾角粒界の分解則について (2015)
  • Author(s): 井上和俊, 斎藤光浩, 王中長, 小谷元子, 幾原雄一
  • Organizer: 日本金属学会秋期講演大会
  • Place of Presentation: 九州大学(福岡県・福岡市)
  • Year and Date: 2015-09-26
• [Presentation] 対称傾角粒界のHRTEM観察と分解公式について (2015)
  • Author(s): 井上和俊, 斎藤光浩, 王中長, 小谷元子, 幾原雄一
  • Organizer: 日本顕微鏡学会第71回学術講演会
  • Place of Presentation: 京都国際会館(京都府・京都市)
  • Year and Date: 2015-05-14
  • Invited