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Study of the formation process and mechanical properties of nanoscale materials by means of atomistic simulation

Research Project

Project/Area Number 14550069
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Materials/Mechanics of materials
Research InstitutionThe University of Electro-Communications

Principal Investigator

SHINTANI Kazuhito  The University of Electro-Communications, Graduate School of Information Systems Department of Mechanical Engineeing and Intelligent Systems, Professor, 電気通信学部, 教授 (00162793)

Project Period (FY) 2002 – 2003
Project Status Completed (Fiscal Year 2003)
Budget Amount *help
¥3,200,000 (Direct Cost: ¥3,200,000)
Fiscal Year 2003: ¥900,000 (Direct Cost: ¥900,000)
Fiscal Year 2002: ¥2,300,000 (Direct Cost: ¥2,300,000)
Keywordsnanoscale materials / molecular-dynamics simulation / epitaxy / dimer rows / cluster deposition / nanostructures on surfaces / nanowires / Young's modulus / ナノクラスター / 堆積 / 再構成 / カーボンナノチューブ / ねじり剛性
Research Abstract

(1) Deposition of Si atoms on a Si substrate was investigated by means of molecular-dynamics simulation. It was concluded that at low temperatures, the initial three or four monolayers of deposited adatoms grow epitaxially while the subsequent layers form an amorphouslike structure, which is consistent with the limited-thickness epitaxy identified in experiments, that the mechanism of epitaxy at nanoscale can be understood by considering repetition of the breaking and renewal of dimer rows on transient growing surfaces, and that the dimer bonds become gradually stabilized as deposition proceeds, and breakdown of epitaxy occurs if the breaking and renewal of dimer rows are interrupted.
(2) The molecular-dynamics analysis of morphological evolution of a Au cluster softly-deposited onto a Au substrate was performed. It was concluded that both the clusters in a crystalline state and in a liquid state succeed in epitaxially accommodating themselves to the substrate, that in the accommodation of a crystalline cluster to the substrate at low temperatures, an energy barrier exists, and the cluster becomes finally a facetted epitaxial island, that in the accommodation of a liquid cluster to the substrate at low temperatures, no energy barriers exist, and the cluster becomes an epitaxial island smoothly, and that the morphology of such deposited nanostructures can be controlled by changing the state of free clusters and the substrate temperature.
(3) Elongation of Au nanowires was simulated by the molecular-dynamics method. It was concluded that the Young's modulus of a Au nanowire with a helical multi-shell structure is smaller than the Young's modulus of a Au nanowire of the fcc structure with a <110> center axis and with {111} surfaces, that with the increase of temperature, the former decreases more rapidly than the latter, and that a Au nanowire with a helical multi-shell structure can be elongated to produce a single-atom chain of Au atoms.

Report

(3 results)
  • 2003 Annual Research Report   Final Research Report Summary
  • 2002 Annual Research Report
  • Research Products

    (59 results)

All 2004 2003 2002 Other

All Journal Article (43 results) Publications (16 results)

  • [Journal Article] Atomistic model of limited-thickness Si(001) epitaxy at low temperatures2004

    • Author(s)
      K.Shintani
    • Journal Title

      Journal of Applied Physics 95

      Pages: 446-453

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Molecular-dynamics analysis of morphological evolution of softly deposited Au nanoclusters2004

    • Author(s)
      K.Shintani
    • Journal Title

      Journal of Applied Physics 95

      Pages: 8207-8215

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Molecular-dynamics study of the structural dependence of the Young modulus of Au nanowires2004

    • Author(s)
      S.Kameoka
    • Journal Title

      Materials Research Society Symposium Proceedings (Nanoparticles and Nanowire Building Blocks…) 818

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] 分子動力学シミュレーションによるナノメカニクス2004

    • Author(s)
      新谷一人
    • Journal Title

      材料の科学と工学 41

      Pages: 234-239

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] らせん構造を有する金ナノワイヤの力学的特性の分子動力学解析2004

    • Author(s)
      亀岡俊二
    • Journal Title

      日本機械学会関東支部創立10周年記念第10期総会講演会講演論文集 No.040-1

      Pages: 483-484

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] 分子動力学シミュレーションによるアモルファスシリコンの形成と力学的特性の研究2004

    • Author(s)
      山谷厚太
    • Journal Title

      日本材料科学会平成16年度学術講演大会講演予稿集

      Pages: 33-36

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] 融点付近におけるナノクラスターのモルフォロジーの分子動力学解析2004

    • Author(s)
      中川宗敬
    • Journal Title

      日本機械学会2004年度年次大会講演論文集Vol.6 No.04-1

      Pages: 237-238

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] 金属ナノワイヤの力学的特性の分子動力学解析2004

    • Author(s)
      亀岡俊二
    • Journal Title

      日本機械学会2004年度年次大会講演論文集Vol.6 No.04-1

      Pages: 235-236

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Atomistic model of limited-thickness Si(001) epitaxy at low temperatures2004

    • Author(s)
      K.Shintani
    • Journal Title

      Journal of Applied Physics Vol.95, No.2

      Pages: 446-453

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Molecular-dynamics analysis of morphological evolution of softly deposited Au nanoclusters2004

    • Author(s)
      K.Shintani
    • Journal Title

      Journal of Applied Physics Vol.95, No.12

      Pages: 8207-8215

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Molecular-dynamics study of the structural dependence of the Young modulus of Au nanowires2004

    • Author(s)
      S.Kameoka
    • Journal Title

      Materials Research Society Symposium Proceedings (Nanoparticles and Nonowire Building Blocks-Synthesis, Processing, Characterization, and Theory, edited by O.Glembocki, C.Hunt, C.Murray, and G.Galli) Vol 818

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Nanomechanics by means of molecular-dynamics simulation2004

    • Author(s)
      K.Shintani
    • Journal Title

      Materials Science and Technology Vol.41 No.5

      Pages: 234-239

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Molecular-dynamics analysis of the mechanical properties of Au nanowires of helical structures2004

    • Author(s)
      S.Kameoka
    • Journal Title

      Proceedings of the 10th-term Meeting of the Kanto Branch of the Japan Society of the Mechanical Engineers No.040-1

      Pages: 483-484

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Molecular-dynamics study of the formation and mechanical properties of amorphous silicon2004

    • Author(s)
      K.Yamaya
    • Journal Title

      Proceedings of the 2004 Annual Meeting of the Materials Science Society of Japan

      Pages: 33-36

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Molecular-dynamics analysis of the morphology of a nanocluster nealy at melting temperature2004

    • Author(s)
      M.Nakagawa
    • Journal Title

      Proceedings of the Mechanical Engineering Congress, 2004 Japan Vol.6, No.04-1

      Pages: 237-238

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Molecular-dynamics analysis of the mechanical properties of metallic nanowires2004

    • Author(s)
      S.Kameoka
    • Journal Title

      Proceedings of the Mechanical Engineering Congress, 2004 Japan Vol.6, No.04-1

      Pages: 235-236

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Molecular-dynamics simulation of the initial period of cluster deposition2003

    • Author(s)
      K.Shintani
    • Journal Title

      Materials Research Society Symposium Proceedings (Morphological and Compositional Evolution of Thin Films) 749

      Pages: 361-366

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Molecular-dynamics study of the mechanical properties of metallic nanowires2003

    • Author(s)
      T.Nakajima
    • Journal Title

      Materials Research Society Symposium Proceedings (Three-dimensional Nanoengineered Assemblies) 739

      Pages: 145-150

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Molecular-dynamics modelling of the tensile deformation of helical nanowires2003

    • Author(s)
      K.Shintani
    • Journal Title

      Materials Research Society Symposium Proceedings (Mechanical Properties Derived from Nanostructuring Materials) 778

      Pages: 195-200

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Atomistic study of strain dependence of Poisson's ratio of single-walled carbon nanotubes2003

    • Author(s)
      K.Shintani
    • Journal Title

      Surface Science 532-535

      Pages: 862-868

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] 分子動力学シミュレーションによるナノ材料の変形挙動の研究2003

    • Author(s)
      中島隆明
    • Journal Title

      日本機械学会関東支部第9期総会講演会講演論文集 No.030-1

      Pages: 457-458

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] カーボンナノチューブのねじり特性の分子動力学解析2003

    • Author(s)
      阿部 雅
    • Journal Title

      日本材料科学会平成15年度学術講演大会・創立40周年記念講演会講演予稿集

      Pages: 39-42

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] 分子動力学法による金ナノワイヤの変形シミュレーション2003

    • Author(s)
      亀岡俊二
    • Journal Title

      日本材料科学会平成15年度学術講演大会・創立40周年記念講演会講演予稿集

      Pages: 43-46

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] 金ナノワイヤの変形挙動の分子動力学解析2003

    • Author(s)
      新谷一人
    • Journal Title

      日本機械学会2003年度年次大会講演論文集(VI) No.03-1

      Pages: 53-54

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] 金属ナノクラスターのモルフォロジーと堆積過程の分子動力学解析2003

    • Author(s)
      新谷一人
    • Journal Title

      日本機械学会M&M2003材料力学部門講演会講演論文集 No.03-11

      Pages: 485-486

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Molecular-dynamics simulation of the initial period of cluster deposition2003

    • Author(s)
      K.Shintani
    • Journal Title

      Materials Research Society Symposium Proceedings (Morphological and Compositional Evolution of Thin Films) Vol.749

      Pages: 361-366

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Molecular-dynamics study of the mechanical properties of metallic nanowires2003

    • Author(s)
      T.Nakajima
    • Journal Title

      Materials Research Society Symposium Proceedings (Three-dimensional Nanoengineered Assemblies) Vol.739

      Pages: 145-150

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Molecular-dynamics modelling of the tensile deformation of helical nanowires2003

    • Author(s)
      K Shintani
    • Journal Title

      Materials Research Society Symposium Proceedings (Mechanical Properties Derived from Nanostructuring Materials) Vol.778

      Pages: 195-200

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Atomistic study of strain dependence of Poisson's ratio of single-walled carbon nanotubes2003

    • Author(s)
      K Shintani
    • Journal Title

      Surface Science Vol.532-535

      Pages: 862-868

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Study of the deformation behaviors of nanomaterials by the molecular-dynamics simulation2003

    • Author(s)
      T.Nakajima
    • Journal Title

      Proceedings of the 9th-term Meeting of the Kanto Branch of the Japan Society of the Mechanical Engineers No.030-1

      Pages: 457-458

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Molecular-dynamics analysis of twisted carbon nanotubes2003

    • Author(s)
      M.Abe
    • Journal Title

      Proceedings of the 2003 Annual Meeting of the Materials Science Society of Japan

      Pages: 39-42

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Molecular-dynamics simulation of deformation of Au nanowires2003

    • Author(s)
      S.Kameoka
    • Journal Title

      Proceedings of the 2003 Annual Meeting of the Materials Science Society of Japan

      Pages: 43-46

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Molecular-dynamics analysis of deformation behaviors of gold nanowires2003

    • Author(s)
      K.Shintani
    • Journal Title

      Proceedings of the Mechanical Engineering Congress, 2003 Japan (VI) No.03-1

      Pages: 53-54

    • NAID

      110002525888

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Molecular-dynamics analysis of the morphology and deposition process of metallic nanoclusters2003

    • Author(s)
      K.Shintani
    • Journal Title

      Proceedings of the 2003 Annual Meeting of the Japan Society of Mechanical Engineers/Materials and Mechanics Division No.03-11

      Pages: 485-486

    • NAID

      110002489312

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] 低エネルギーAuクラスター堆積初期過程の分子動力学シミュレーション2002

    • Author(s)
      中島隆明
    • Journal Title

      日本材料科学会平成14年度学術講演大会講演予稿集

      Pages: 59-62

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Molecular-dynamics study of morphology of deposited silicon atoms2002

    • Author(s)
      K.Shintani
    • Journal Title

      International Conference on Multiscale Materials Modelling, Abstracts

      Pages: 141-141

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] シリコン原子の堆積素過程の分子動力学シミュレーション2002

    • Author(s)
      中島隆明
    • Journal Title

      日本材料科学会第9回材料科学若手研究者討論会講演予稿集

      Pages: 35-40

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] ナノスケール材料の変形挙動のモデル解析2002

    • Author(s)
      新谷一人
    • Journal Title

      日本機械学会2002年度年次大会講演論文集(II) No.02-1

      Pages: 79-80

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] クラスター堆積初期過程のシミュレーション2002

    • Author(s)
      新谷一人
    • Journal Title

      日本機械学会第15回計算力学講演会講演論文集 No.02-02

      Pages: 117-118

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Molecular-dynamics simulation of the initial period of low-energy Au cluster beam deposition2002

    • Author(s)
      T.Nakajima
    • Journal Title

      Proceedings of the 2002 Annual Meeting of the Materials Science Society of Japan

      Pages: 59-62

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Molecular dynamics simulation of the elementary process of silicon MBE2002

    • Author(s)
      T.Nakajima
    • Journal Title

      Proceedings of the 9th Symposium for Young Researchers of Materials Science, Materials Science Society of Japan

      Pages: 35-40

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Modelling of deformation behaviors of nanoscaled materials2002

    • Author(s)
      K.Shintani
    • Journal Title

      Proceedings of the Mechanical Engineering Congress, 2002 Japan (II) No.02-1

      Pages: 79-80

    • NAID

      110002523761

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Journal Article] Simulation of the initial period of cluster deposition2002

    • Author(s)
      K.Shintani
    • Journal Title

      Proceedings of the 15th Computational Mechanics Conference of the Japan Society of Mechanical Engineers No.02-02

      Pages: 117-118

    • NAID

      110002487611

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] K.Shintani: "Atomistic model of limited-thickness Si(001) epitaxy at low temperatures"Journal of Applied Physics. 95. 446-453 (2004)

    • Related Report
      2003 Annual Research Report
  • [Publications] K.Shintani: "Molecular-dynamics modelling of the tensile deformation of helical nanowires"Materials Research Society Symposium Proceedings (Mechanical Properties Derived from Nanostructuring Materials). 778. 195-200 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] 阿部 雅: "カーボンナノチューブのねじり特性の分子動力学解析"日本材料科学会平成15年度学術講演大会・創立40周年記念講演会講演予稿集. 39-42 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] 亀岡俊二: "分子動力学法による金ナノワイヤの変形シミュレーション"日本材料科学会平成15年度学術講演大会・創立40周年記念講演会講演予稿集. 43-46 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] 新谷一人: "金ナノワイヤの変形挙動の分子動力学解析"日本機械学会2003年度年次大会講演論文集(VI). No.03-1. 53-54 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] 新谷一人: "金属ナノクラスターのモルフォロジーと堆積過程の分子動力学解析"日本機械学会M & M2003材料力学部門講演会講演論文集. No.03-11. 485-486 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] 亀岡俊二: "らせん構造を有する金ナノワイヤの力学的特性の分子動力学解析"日本機械学会関東支部創立10周年記念第10期総会議演会講演論文集. No.040-1. 483-484 (2004)

    • Related Report
      2003 Annual Research Report
  • [Publications] K.Shintani: "Atomistic study of strain dependence of Poisson's ratio of single-walled carbon nanotubes"Surface Science. 532-535. 862-868 (2003)

    • Related Report
      2002 Annual Research Report
  • [Publications] T.Nakajima: "Molecular-dynamics study of the mechanical properties of metallic nanowires"Materials Research Society Symposium Proceedings (Three-dimensional Nanoengineered Assemblies). 739. H7.41.1-H7.41.6 (2003)

    • Related Report
      2002 Annual Research Report
  • [Publications] K.Shintani: "Molecular-dynamics simulation of the initial period of cluster deposition"Materials Research Society Symposium Proceedings (Morphological and Compositional Evolution of Thin Films). W18.6.1-W18.6.6 (2003)

    • Related Report
      2002 Annual Research Report
  • [Publications] K.Shintani: "Molecular-dynamics study of morphology of deposited silicon atoms"International Conference on Multiscale Materials Modelling, Abstracts. 141 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] 中島隆明: "低エネルギーAuクラスター堆積初期過程の分子動力学シミュレーション"日本材料科学会平成14年度学術講演大会講演予稿集. 59-62 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] 中島隆明: "シリコン原子の堆積素過程の分子動力学シミュレーション"日本材料科学会第9回材料科学若手研究者討論会. 35-40 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] 新谷一人: "ナノスケール材料の変形挙動のモデル解析"日本機械学会2002年度年次大会講演論文集(II). No.02-1. 79-80 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] 新谷一人: "クラスター堆積初期過程のシミュレーション"日本機械学会第15回計算力学講演会講演論文集. No.02-02. 117-118 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] 中島隆明: "分子動力学シミュレーションによるナノ材料の変形挙動の研究"日本機械学会関東支部第9期総会講演会講演論文集. (2003)

    • Related Report
      2002 Annual Research Report

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Published: 2002-04-01   Modified: 2016-04-21  

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