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Behavior of lattice defects in curved low-dimensional materials based on the analysis of the structure of carbon nanotubes

Research Project

Project/Area Number 26870348
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeMulti-year Fund
Research Field Computational science
Materials/Mechanics of materials
Research InstitutionUniversity of Fukui (2015-2016)
Osaka University (2014)

Principal Investigator

LEI XIAOWEN  福井大学, 学術研究院工学系部門, 講師 (50726148)

Research Collaborator NAKATANI Akihiro  大阪大学, 大学院工学研究科, 教授 (50252606)
Project Period (FY) 2014-04-01 – 2017-03-31
Project Status Completed (Fiscal Year 2016)
Budget Amount *help
¥2,990,000 (Direct Cost: ¥2,300,000、Indirect Cost: ¥690,000)
Fiscal Year 2015: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2014: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Keywordscarbon nanotube / low-dimensional / lattice defect / Carbon nanotube / Stone-Wales defect / Dislocation dipole / Lattice defect / dislocation dipole / minimum energy path
Outline of Final Research Achievements

The analysis of the structure of carbon nanotubes (CNTs) at atomic level has been carried out to study the behavior of lattice defects in curved low-dimensional materials. The energy landscape over configurational change of defects in CNT is built using the Peierls-Nabarro dislocation model. Based on the theoretical model, the configurational energy is estimated by relative displacement. The equilibrium configurations are obtained using the conjugate-gradient method, and the saddle point on the minimum-energy path, is estimated using the nudged elastic-band method. The total energy does not only depend on the mean value of the relative displacement, but also on the complexity of the configurations of the defects. The results provide fundamental information related to the stability of the thermal activation of defects in CNT. The theoretical results will give us useful information for designing the configuration of the defect structure.

Report

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

    (38 results)

All 2017 2016 2015 2014 Other

All Journal Article (4 results) (of which Int'l Joint Research: 2 results,  Peer Reviewed: 3 results,  Acknowledgement Compliant: 3 results) Presentation (33 results) (of which Int'l Joint Research: 8 results,  Invited: 6 results) Remarks (1 results)

  • [Journal Article] Local equilibrium configurations and minimum energy path of carbon nanotubes with Stone-Wales defects and their related pentagon-heptagon lattice defects2017

    • Author(s)
      Xiao-Wen Lei, A. Nakatani
    • Journal Title

      Computational Materials Science

      Volume: 133 Pages: 194-199

    • DOI

      10.1016/j.commatsci.2017.03.003

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] シンクロ型 LPSO 構造の新展開―ミルフィーユ構造の変形機構と力学特性―2016

    • Author(s)
      中谷彰宏,LEI Xiao-Wen
    • Journal Title

      金属

      Volume: 86 Pages: 486-492

    • Related Report
      2016 Annual Research Report
  • [Journal Article] Analysis of kink deformation and delamination behavior in layered ceramics2016

    • Author(s)
      X. -W Lei, A. Nakatani
    • Journal Title

      Journal of the European Ceramic Society

      Volume: 36 Issue: 9 Pages: 2311-2317

    • DOI

      10.1016/j.jeurceramsoc.2015.12.054

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] A deformation mechanism for ridge-shaped kink structure in layered solids2015

    • Author(s)
      X. -W Lei, A. Nakatani
    • Journal Title

      Transaction of the American Society of Mechanical Engineers (ASME) Journal of Applied Mechanics,

      Volume: 82 Issue: 7

    • DOI

      10.1115/1.4030328

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Presentation] 材料非線形性による表面波の構造変化の分子動力学解析2017

    • Author(s)
      谷口敬俊、LEI Xiao-Wen、土井祐介、中谷彰宏
    • Organizer
      日本機械学会関西支部第92期定時総会講演会
    • Place of Presentation
      大阪大学
    • Year and Date
      2017-03-13
    • Related Report
      2016 Annual Research Report
  • [Presentation] 原子モデルを用いた低ナノ炭素材料の格子欠陥構造の相互作用の解析2017

    • Author(s)
      河原永也、LEI Xiao-Wen、土井祐介、中谷彰宏
    • Organizer
      日本機械学会関西支部第92期定時総会講演会
    • Place of Presentation
      大阪大学
    • Year and Date
      2017-03-13
    • Related Report
      2016 Annual Research Report
  • [Presentation] ひずみエネルギーの解放により駆動されるセルオートマトンを用いた変形パターン解析2017

    • Author(s)
      野呂優太、LEI Xiao-Wen、土井祐介、中谷彰宏
    • Organizer
      日本機械学会関西支部第92期定時総会講演会
    • Place of Presentation
      大阪大学
    • Year and Date
      2017-03-13
    • Related Report
      2016 Annual Research Report
  • [Presentation] 分子動力学シミュレーションによるグラファイトの圧縮変形メカニズムの研究2017

    • Author(s)
      倉和海, Xiao-Wen LEI, 中谷彰宏
    • Organizer
      マルチスケール材料力学シンポジウム(第22回分子動力学シンポジウム・第10回マイクロマテリアルシンポジウム)
    • Place of Presentation
      名城大学
    • Related Report
      2016 Annual Research Report
  • [Presentation] 分子動力学シミュレーションによるダイヤモンドナノスレッドの力学特性評価2017

    • Author(s)
      藤林粋平,Xiao-Wen LEI,中谷彰宏
    • Organizer
      マルチスケール材料力学シンポジウム(第22回分子動力学シンポジウム・第10回マイクロマテリアルシンポジウム)
    • Place of Presentation
      名城大学
    • Related Report
      2016 Annual Research Report
  • [Presentation] 格子欠陥を有するナノカーボン材料の構造とエネルギー解析2017

    • Author(s)
      谷口智哉,Xiao-Wen LEI,中谷彰宏
    • Organizer
      マルチスケール材料力学シンポジウム(第22回分子動力学シンポジウム・第10回マイクロマテリアルシンポジウム)
    • Place of Presentation
      名城大学
    • Related Report
      2016 Annual Research Report
  • [Presentation] 曲率を表現するセル・オートマトンを用いた変形シミュレーション2017

    • Author(s)
      野呂優太,Xiao-Wen LEI,土井祐介,中谷彰宏
    • Organizer
      マルチスケール材料力学シンポジウム(第22回分子動力学シンポジウム・第10回マイクロマテリアルシンポジウム)
    • Place of Presentation
      名城大学
    • Related Report
      2016 Annual Research Report
  • [Presentation] 質量流束によって成長する固体の残留応力場の形成解析2017

    • Author(s)
      矢野太一、LEI Xiao-Wen、土井祐介、中谷彰宏
    • Organizer
      日本機械学会関西支部平成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] Mechanism of formation of kink banding structure in LPSO-Mg2016

    • Author(s)
      Akihiro Nakatani, Xiao-Wen Lei
    • Organizer
      The 3rd International Symposium on Long-Period Stacking Ordered Structure and Its Related Materials (LPSO2016)
    • Place of Presentation
      Kyoto, Japan
    • Year and Date
      2016-12-04
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 引張荷重下のキリガミ構造体の面外変形の分岐解析2016

    • Author(s)
      中谷彰宏、LEI Xiao-Wen、 松永慎太郎、土井祐介
    • Organizer
      日本機械学会M&M2016材料力学カンファレンス
    • Place of Presentation
      神戸大学
    • Year and Date
      2016-10-08
    • Related Report
      2016 Annual Research Report
  • [Presentation] 格子欠陥を有するナノ炭素材料のエネルギー地形と構造安定性に関する研究2016

    • Author(s)
      LEI Xiao-Wen、中谷彰宏
    • Organizer
      日本機械学会第29回計算力学講演会(CMD2016)
    • Place of Presentation
      名古屋大学
    • Year and Date
      2016-09-22
    • Related Report
      2016 Annual Research Report
  • [Presentation] 微視的局所不安定変形で記述されるマルチスケール力学特性2016

    • Author(s)
      中谷彰宏、LEI Xiao-Wen、小川隆樹
    • Organizer
      日本機械学会第29回計算力学講演会(CMD2016)
    • Place of Presentation
      名古屋大学
    • Year and Date
      2016-09-22
    • Related Report
      2016 Annual Research Report
    • Invited
  • [Presentation] 格子欠陥付与により発現する二次元材料のアイソメトリック変形の解析2016

    • Author(s)
      鈴木脩、LEI Xiao-Wen、土井祐介、中谷彰宏
    • Organizer
      日本機械学会第29回計算力学講演会(CMD2016)
    • Place of Presentation
      名古屋大学
    • Year and Date
      2016-09-22
    • Related Report
      2016 Annual Research Report
  • [Presentation] Complex energy landscapes of carbon nanotubes with defects2016

    • Author(s)
      Xiao-Wen Lei, Akihiro Nakatani
    • Organizer
      Complex energy landscapes of carbon nanotubes with defects, 24th International Congress of Theoretical and Applied Mechanics (ICTAM2016)
    • Place of Presentation
      Montreal, Canada
    • Year and Date
      2016-08-21
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Analysis of criterion for kink banding in layered solids2016

    • Author(s)
      Akihiro Nakatani, Xiao-Wen Lei
    • Organizer
      Complex energy landscapes of carbon nanotubes with defects, 24th International Congress of Theoretical and Applied Mechanics (ICTAM2016)
    • Place of Presentation
      Montreal, Canada
    • Year and Date
      2016-08-21
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Instability behavior of layered structure with kink deformation in LPSO-Mg2016

    • Author(s)
      Akihiro Nakatani, Xiao-Wen Lei
    • Organizer
      9th Pacific Rim International Conference on Advanced Materials and Process (PRICM9)
    • Place of Presentation
      Kyoto, Japan
    • Year and Date
      2016-08-01
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Simulation of buckling and delamination in layered solids using cohesive particle model2016

    • Author(s)
      Akihiro Nakatani, Xiao-Wen Lei
    • Organizer
      The 12th World Congress on Computational Mechanics and The 6th AsiaPacific Congress onf Computational Mechanics (WCCM XII & APCOM VI)
    • Place of Presentation
      Seoul, Korea
    • Year and Date
      2016-07-24
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 材料不安定性に着目したLPSO-Mgのキンク変形メカニズムの研究2016

    • Author(s)
      中谷彰宏、LEI Xiao-Wen
    • Organizer
      軽金属学会第130回春期大会
    • Place of Presentation
      大阪大学
    • Related Report
      2016 Annual Research Report
    • Invited
  • [Presentation] 二次元カットパターン構造の一般化連続体力学に基づく解析2016

    • Author(s)
      石丸知英、原田悠之介、LEI Xiao-Wen、土井祐介、中谷彰宏
    • Organizer
      マルチスケール材料力学シンポジウム(第21回分子動力学シンポジウム・第 9回マイクロマテリアルシンポジウム)
    • Place of Presentation
      富山大学
    • Related Report
      2016 Annual Research Report
  • [Presentation] 二次元材料のトポロジカル欠陥により形成される曲面構造の考察2016

    • Author(s)
      鈴木脩、LEI Xiao-Wen、土井祐介、中谷彰宏
    • Organizer
      マルチスケール材料力学シンポジウム(第21回分子動力学シンポジウム・第 9回マイクロマテリアルシンポジウム)
    • Place of Presentation
      富山大学
    • Related Report
      2016 Annual Research Report
  • [Presentation] カーボンナノチューブにおける非線形局在モードの3次元構造の解析2016

    • Author(s)
      孫光輝、LEI Xiao-Wen、土井祐介、中谷彰宏
    • Organizer
      マルチスケール材料力学シンポジウム(第21回分子動力学シンポジウム・第 9回マイクロマテリアルシンポジウム)
    • Place of Presentation
      富山大学
    • Related Report
      2016 Annual Research Report
  • [Presentation] ナノ構造炭層材料の欠陥構造変化の最小エネルギー経路に関する解析2015

    • Author(s)
      LEI Xiao-Wen、中谷彰宏
    • Organizer
      日本機械学会 第28回計算力学講演会
    • Place of Presentation
      横浜国立大学
    • Year and Date
      2015-10-10
    • Related Report
      2015 Research-status Report
  • [Presentation] 格子力学モデルを用いたカーボンナノチューブの5-7欠陥対の相互作用に関する検討2015

    • Author(s)
      LEI Xiao-Wen、河原永也、中谷彰宏
    • 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] Microdynamics modeling for kink deformation and delamination in multilayered solid2015

    • Author(s)
      Xiao-Wen Lei, Akihiro Nakatani
    • Organizer
      6th International Conference on Computational Methods
    • Place of Presentation
      Auckland, New Zealand
    • Year and Date
      2015-07-14
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] A continuum mechanics analysis of lattice defects in carbon nanotube2015

    • Author(s)
      Xiao-Wen Lei, Akihiro Nakatani
    • Organizer
      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] Analysis of kink deformation behavior in multilayered solid considering debonding2015

    • Author(s)
      Xiao-Wen Lei, Akihiro Nakatani
    • Organizer
      Modelling and Simulation Meet Innovation in Ceramics Technology
    • Place of Presentation
      Trento, Italy
    • Year and Date
      2015-07-01
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] カーボンナノチューブの欠陥対の安定性解析2015

    • Author(s)
      河原永也、LEI Xiao-Wen、土井祐介、中谷彰宏
    • Organizer
      日本材料学会 第20 回分子動力学シンポジウム講演
    • Place of Presentation
      山形大学
    • Year and Date
      2015-05-22
    • Related Report
      2015 Research-status Report
  • [Presentation] 外力を受けるカーボンナノチューブの欠陥対構造の力学解析2015

    • Author(s)
      河原永也,Lei Xiao-Wen,土井祐介,中谷彰宏
    • Organizer
      日本機械学会 関西学生会平成26年度学生員卒業研究発表講演会
    • Place of Presentation
      京都大学(京都府京都市)
    • Year and Date
      2015-03-14
    • Related Report
      2014 Research-status Report
  • [Presentation] 低次元カーボン材料のための格子欠陥論に関する基礎的研究2014

    • Author(s)
      LEI Xiao-Wen, 中谷彰宏
    • Organizer
      日本機械学会 第27回計算力学講演会(CMD2014)
    • Place of Presentation
      岩手大学(岩手県盛岡市)
    • Year and Date
      2014-11-22 – 2014-11-24
    • Related Report
      2014 Research-status Report
  • [Presentation] グラフェンシートの格子欠陥対に関する連続力学モデリング2014

    • Author(s)
      LEI Xiaowen, 中谷彰宏
    • Organizer
      第58回日本学術会議材料工学連合講演会
    • Place of Presentation
      京都テルサ(京都府京都市)
    • Year and Date
      2014-10-27 – 2014-10-28
    • Related Report
      2014 Research-status Report
  • [Presentation] Lattice defect model of kink deformation and configurational force2014

    • Author(s)
      Akihiro Nakatani and Xiao-Wen Lei
    • Organizer
      The 5th International Conference on Computational Methods (ICCM2014)
    • Place of Presentation
      Cambridge, UK
    • Year and Date
      2014-07-28 – 2014-07-30
    • Related Report
      2014 Research-status Report
    • Invited
  • [Presentation] Analysis of kink deformation using disclination model2014

    • Author(s)
      Akihiro Nakatani and Xiao-Wen Lei
    • Organizer
      11th World Congress on Computational Mechanics (WCCM XI)
    • Place of Presentation
      Barcelona, Spain
    • Year and Date
      2014-07-20 – 2014-07-25
    • Related Report
      2014 Research-status Report
  • [Presentation] 分子動力学法によるHCP金属の変形双晶の発生と成長のシミュレーション2014

    • Author(s)
      松永慎太郎, LEI Xiaowen, 土井祐介, 中谷彰宏
    • Organizer
      第19回分子動力学シンポジウム講演
    • Place of Presentation
      福岡大学(福岡県福岡市)
    • Year and Date
      2014-05-16
    • Related Report
      2014 Research-status Report
  • [Remarks] ナノ機能設計学研究室

    • URL

      http://mech.u-fukui.ac.jp/~nano_lab/

    • Related Report
      2016 Annual Research Report

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

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