Development of Criterion for Mechanical and Functional Fractures in Nano-Structures

2012 Fiscal Year Final Research Report

• Project/Area Number: 23656084
• Research Category: Grant-in-Aid for Challenging Exploratory Research
• Allocation Type: Multi-year Fund
• Research Field: Materials/Mechanics of materials
• Research Institution: Kyoto University
• Principal Investigator: SHIMADA Takahiro 京都大学, 大学院・工学研究科, 助教 (20534259)
• Project Period (FY): 2011 – 2012
• Keywords: ナノ構造体 / 破壊クライテリオン / マルチフィジックス / 分子動力学 / 第一原理解析

Research Abstract

In this study, I developed the criterion to describe the mechanical factures as well as functional instabilities of atomic components. We validated the proposed method as criterion by applying the method to ferroelectric and magnetic systems. In addition, the method describes the origin of fractures and functional instabilities in the atomic components. I further elucidated the multi-physics properties (the coupling effect between mechanical deformation and functionalities) in nano-structured materials.

Research Products

• [Journal Article] Multi-physics analysis of nano-structured ferroelectrics by first-principles simulations (2013)
  • Author(s): Takahiro Shimada, Xiaoyuan Wang, Takayuki Kitamura
  • Journal Title: Acta Mechanica
  • DOI: DOI:10.1007/s00707-013-0873-7
  • Peer Reviewed
• [Journal Article] 原子構造体のマルチフィジックス不安定性クライテリオンの提案と強誘電体のドメインスイッチングへの適用 (2012)
  • Author(s): 嶋田 隆広、阪本 博、北村 隆行
  • Journal Title: 材料 Volume: 61巻 Pages: 155-161
  • DOI: DOI:10.2472/jsms.61.155
  • Peer Reviewed
• [Journal Article] Criterion of Mechanical Instabilities for Dislocation Structures (2012)
  • Author(s): Yabin Yan, Tadahiro Kondo, Takahiro Shimada, Takashi Sumigawa, TakayukiKitamura
  • Journal Title: Materials Science and Engineering A Volume: Vol. 534 Pages: 681-687
  • DOI: DOI:10.1016/j.msea.2011.12.027
  • Peer Reviewed
• [Journal Article] Ab initio study of spin-spiral noncollinear magnetism in a free-standing Fe(110) monolayer under in-plane strain (2012)
  • Author(s): Takahiro Shimada, Junichi Okuno, Takayuki Kitamura
  • Journal Title: Physical Review B Volume: Vol. 85, Issue 13, Article number 134440 Pages: 7
  • DOI: DOI:10.1103/PhysRevB.85.134440
  • Peer Reviewed
• [Journal Article] First-principles study of nanometer-sharp domain walls in ferromagnetic Fe monolayers under in-plane strain (2012)
  • Author(s): Takahiro Shimada, Junichi Okuno, Yoshiyuki Ishii, Takayuki Kitamura
  • Journal Title: Journal of Physics: Condensed Matter Volume: Vol. 24, Issue9, Article number 095303 Pages: 8
  • DOI: DOI:10.1088/0953-8984/24/9/095303
  • Peer Reviewed
• [Presentation] Noncollinear magnetic spin-spiral wave excitation in epitaxial Fe(110) monolayer from first-principles (2012)
  • Author(s): Takahiro Shimada
  • Organizer: International Union of Materials Research Societies -International Conference on Electronic Materials 2012 (IUMRS-ICEM2012)
  • Place of Presentation: Yokohama, Japan
  • Year and Date: 20120923-28
• [Presentation] 外部電場下における強誘電体の不安定性クライテリオン (2011)
  • Author(s): 嶋田 隆広
  • Organizer: 日本機械学会第24回計算力学講演会
  • Place of Presentation: 岡山大学
  • Year and Date: 2011-10-08
• [Presentation] 原子構造体の磁気不安定性クライテリオンの開発とその適用 (2011)
  • Author(s): 嶋田 隆広
  • Organizer: 日本機械学会 M&M2011 材料力学カンファレンス
  • Place of Presentation: 九州工業大学
  • Year and Date: 2011-07-18
• [Presentation] 鉄モノレイヤーのスピンスパイラル磁気構造に関する第一原理マルチフィジックス解析 (2011)
  • Author(s): 奥野 潤一
  • Organizer: 第17回分子動力学シンポジウム
  • Place of Presentation: 東京大学
  • Year and Date: 2011-06-05
• [Book] Fracture Nanomechanics (2011)
  • Author(s): Takayuki Kitamura, Hiroyuki Hirakata, Takashi Sumigawa, Takahiro Shimada
  • Total Pages: 297
  • Publisher: Pan Stanford Publishing Pte. Ltd.
• [Remarks]
  • URL: http://kitamura-lab.p1.bindsite.jp/kyoto-u/index.html
• [Remarks]
  • URL: http://kyouindb.iimc.kyoto-u.ac.jp/j/gT3rQ