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Competition mechanism between plasma irradiation and long-time structure relaxation by multi-hybrid simulation

Research Project

Project/Area Number 19H01882
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Review Section Basic Section 14020:Nuclear fusion-related
Research InstitutionNational Institute for Fusion Science

Principal Investigator

Ito Atsushi  核融合科学研究所, 研究部, 准教授 (10581051)

Project Period (FY) 2019-04-01 – 2023-03-31
Project Status Completed (Fiscal Year 2023)
Budget Amount *help
¥10,140,000 (Direct Cost: ¥7,800,000、Indirect Cost: ¥2,340,000)
Fiscal Year 2022: ¥3,120,000 (Direct Cost: ¥2,400,000、Indirect Cost: ¥720,000)
Fiscal Year 2021: ¥2,860,000 (Direct Cost: ¥2,200,000、Indirect Cost: ¥660,000)
Fiscal Year 2020: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000)
Fiscal Year 2019: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Keywords動的モンテカルロ法 / 分子動力学 / ハイブリッドシミュレーション / プラズマ-壁相互作用 / プラズマ-物質相互作用 / 動的モンテカルロ / プラズマー壁相互作用 / プラズマー物質相互作用 / プラズマ壁相互作用 / プラズマ物質相互作用 / シミュレーション / ハイブリッド
Outline of Research at the Start

プラズマと固体物質の相互作用においては,プラズマ粒子の入射頻度と固体物質側の現象の時間スケールの競争を真面目に論ずることが正しい理解の鍵となる.これはダイバーター材料上の繊維状ナノ構造(ファズ構造)成長の研究において独自のマルチハイブリッドシミュレーションを開発し、実現象と同等の時間スケールを模擬できるようになったことで得た科学的知見である.この知見と計算手法を,炉内不純物の再堆積現象や,化学スパッタリング現象,表面拡散効果の検証,中性子損傷・回復などへ適用するため、オンザフライ動的モンテカルロ法の開発など、マルチハイブリッドシミュレーションに更なる拡張を施す。

Outline of Final Research Achievements

In the interaction between plasma and materials, it is important to understand the competition between the frequency of plasma particle injection and the time scale of phenomena in the material side. To treat these processes in simulation, we have developed an on-the-fly Kinetic Monte Carlo (KMC) method that can reach long time scales while dealing atoms directly. In particular, in order to treat not only crystal structure but also the irregular structures during structural relaxation, we realized the lattice-free KMC method by using localized molecular dynamics (MD). Finally, the we considered also the finite temperature effects by estimating free energy barrier, and then we demonstrated the disappearance of tungsten nanostructures.

Academic Significance and Societal Importance of the Research Achievements

核融合におけるプラズマ対向材料や耐中性子材料の研究においては,長時間の構造変化を追うためにKMCが度々利用されてきたが,粒子が格子点上だけを移動するという従来の制約のために適用できる問題が限られていた.本研究において格子フリーなKMCを開発し,さらに生体分子シミュレーション等で取り上げられている自由エネルギーの観点を取り込むことで,多くの材料に適用できる手法となった.本研究期間においては核融合研究における貢献としてタングステンの高温時挙動の模擬に注力したが,今後は半導体分野をはじめとする多くのプラズマ-物質相互作用問題や,より一般的な表面・ナノ構造の関わる問題に適用できると期待できる.

Report

(5 results)
  • 2023 Final Research Report ( PDF )
  • 2022 Annual Research Report
  • 2021 Annual Research Report
  • 2020 Annual Research Report
  • 2019 Annual Research Report
  • Research Products

    (37 results)

All 2023 2022 2021 2020 2019 Other

All Int'l Joint Research (1 results) Journal Article (8 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 8 results,  Open Access: 8 results) Presentation (21 results) (of which Int'l Joint Research: 12 results,  Invited: 8 results) Book (1 results) Remarks (6 results)

  • [Int'l Joint Research] NEC Technologies India Private Limited(インド)

    • Related Report
      2020 Annual Research Report
  • [Journal Article] Perspective of Meta-Hierarchy Dynamics2023

    • Author(s)
      NUNAMI Masanori、ITO Atsushi M.、GOTO Motoshi、HASEGAWA Hiroki、IGAMI Hiroe、KASAHARA Hiroshi、KAWAMURA Gakushi、KAWATE Tomoko、MATSUOKA Seikichi、NAGAOKA Kenichi、SAKAMOTO Ryuichi、SEKI Tetsuo、TAKAYAMA Arimichi、TODA Shinichiro、Meta-hierarchy dynamics unit
    • Journal Title

      Plasma and Fusion Research

      Volume: 18 Issue: 0 Pages: 2501057-2501057

    • DOI

      10.1585/pfr.18.2501057

    • ISSN
      1880-6821
    • Year and Date
      2023-07-14
    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Tungsten nanostructure growth by sputtering and redeposition in BCA-MD-KMC hybrid simulation2023

    • Author(s)
      Ito Atsushi M、Takayama Arimichi、Nakamura Hiroaki
    • Journal Title

      Materials Research Express

      Volume: 10 Issue: 12 Pages: 125002-125002

    • DOI

      10.1088/2053-1591/ad0ea9

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] High accuracy interatomic potential model for binary collision approximation and its application into sputtering yield estimation for amorphous carbon2023

    • Author(s)
      Ito Atsushi M.、Takayama Arimichi、Toda Yuto
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 62 Issue: SL Pages: SL1012-SL1012

    • DOI

      10.35848/1347-4065/acd4c9

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Simulation for plasma–material interaction on fusion science and nanotechnology2023

    • Author(s)
      Atsushi M. Ito
    • Journal Title

      JSAP Review

      Volume: 2023 Issue: 0 Pages: n/a

    • DOI

      10.11470/jsaprev.230412

    • ISSN
      2437-0061
    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Tritium distributions in castellated structures of Be limiter tiles from JET-ITER-like wall experiments2023

    • Author(s)
      Lee S.、Hatano Y.、Masuzaki S.、Oya Y.、Tokitani M.、Yajima M.、Otsuka T.、Ashikawa N.、Torikai Y.、Asakura N.、Nakamura H.、Kurotaki H.、Hayashi T.、Nozawa T.、Ito A.M.、Likonen J.、Widdowson A.、Rubel M.
    • Journal Title

      Nuclear Fusion

      Volume: 63 Issue: 4 Pages: 046023-046023

    • DOI

      10.1088/1741-4326/acb9a5

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Growth of fiberform nanostructures on metal surfaces by helium plasma irradiation2022

    • Author(s)
      Shin Kajita , Atsushi M. Ito , Kenzo Ibano
    • Journal Title

      JOURNAL OF APPLIED PHYSICS

      Volume: 132 Issue: 18 Pages: 181101-181101

    • DOI

      10.1063/5.0123430

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Tuning of Density Functional Theory Simulation on Vector Processor System - Plasma Simulator Raijin -2020

    • Author(s)
      Atsushi M. Ito, Arimichi Takayama, Osamu Watanabe, Vijendra Singh, Shubham Tyagi, and Shashank S. Singh
    • Journal Title

      Plasma and Fusion Research

      Volume: 15 Issue: 0 Pages: 1203085-1203085

    • DOI

      10.1585/pfr.15.1203085

    • NAID

      130007948932

    • ISSN
      1880-6821
    • Year and Date
      2020-11-19
    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Traveling without dwelling: Extending the timescale accessible to molecular dynamics simulation2019

    • Author(s)
      Morishita Tetsuya、Ito Atsushi M.
    • Journal Title

      Physical Review Research

      Volume: 1 Issue: 3 Pages: 033032-033032

    • DOI

      10.1103/physrevresearch.1.033032

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Presentation] Simulation Development for the Next Stage of Plasma-Material Interaction2023

    • Author(s)
      Atsushi M. Ito, Arimichi Takayama, Yuto Toda
    • Organizer
      Global Plasma Forum in Aomori
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Temperature Dependence of Energy Barrier in Kinetic Monte-Carlo Simulation using the Jarzynski Equality2023

    • Author(s)
      Atsushi M. Ito, Arimichi Takayama, Yuto Toda
    • Organizer
      6th International Conference on Molecular Simulation
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 自由エネルギー障壁を利用したオンザフライ動的モンテカルロ法の開発2023

    • Author(s)
      伊藤篤史, 高山有道
    • Organizer
      第37回 分子シミュレーション討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] Simulation Study of Tungsten Surface Diffusion Process on Fuzzy Nanostructures under Helium Plasma Irradiation2023

    • Author(s)
      Atsushi M. Ito
    • Organizer
      15th International Symposium on Advanced Plasma Science and its Applications for Nitrides and Nanomaterials
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] プラズマ-物質相互作用現象に対する分子シミュレーションの開拓2022

    • Author(s)
      伊藤篤史
    • Organizer
      第36回分子シミュレーション討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] Finite temperature effect of kinetic Monte-Carlo on tungsten surface diffusion2022

    • Author(s)
      Atsushi M. Ito and Arimichi Takayama
    • Organizer
      14th International Symposium on Advanced Plasma Science and its Applications for Nitrides and Nanomaterials
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] プラズマ-物質科学におけるシミュレーションと情報科学の協同とは2021

    • Author(s)
      伊藤篤史
    • Organizer
      プラズマ材料科学第153委員会 150回記念研究会
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] Effects of Sputtering, Re-deposition and Diffusion Processes for Helium Plasma Induced Metal-nanostructure with Multi-hybrid Simulation Analysis2021

    • Author(s)
      Atsushi M. Ito, Arimichi Takayama, Hiroaki Nakamura
    • Organizer
      74th Annual Gaseous Electronics Conference
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] プラズマ照射下の空間ミクロかつ時間マクロな構造変化の再現計算への挑戦2021

    • Author(s)
      伊藤篤史
    • Organizer
      化学工学会 第52回秋季大会
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] Gapped Scale Simulation Approach for Plasma-Material Interaction2021

    • Author(s)
      A. M. Ito, A. Takayama, and H. Nakamura
    • Organizer
      30th International Toki Conference
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Modernization of Binary Collision Approximation Simulation for Plasma-Material Interaction2021

    • Author(s)
      Atsushi M. Ito, Arimichi Takayama, Hiroaki Nakamura
    • Organizer
      10th Asian Conference on High Pressure Research
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 動的モンテカルロ計算を効率化する千日手禁止法2021

    • Author(s)
      伊藤篤史, 高山有道
    • Organizer
      第38回プラズマ・核融合学会年会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 千日手の制限による動的モンテカルロ法を高速化2021

    • Author(s)
      伊藤篤史,高山有道
    • Organizer
      第35回分子シミュレーション討論会
    • Related Report
      2021 Annual Research Report
  • [Presentation] オンザフライ動的モンテカルロ法の開発と金属ナノ構造の原子表面拡散への応用2021

    • Author(s)
      伊藤 篤史
    • Organizer
      第76回日本物理学会年会
    • Related Report
      2020 Annual Research Report
  • [Presentation] Incident Energy Dependence of Tungsten Fuzzy Nanostructure Growth with BCA-MD-KMC Multi-Hybrid Simulation2020

    • Author(s)
      Atsushi M. Ito, Arimichi Takayama, Hiroaki Nakamura
    • Organizer
      4th Asia-Pacific Conference on Plasma Physics, Remote e-conference
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] シミュレーションで見られるファズ成長のスパッタリング・再堆積過程の重要性2020

    • Author(s)
      伊藤 篤史, 高山 有道, 中村 浩章
    • Organizer
      第37回プラズマ・核融合学会年会(JSPF Annual Meeting)
    • Related Report
      2020 Annual Research Report
  • [Presentation] Two-body Potential for Atomic Collision in Plasma-Material Interaction2020

    • Author(s)
      Atsushi M. Ito
    • Organizer
      ISPlasma2020/IC-PLANTS2020, Nagoya University, Nagoya, Japan, March 8-11, (2020).
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Multi-hybrid simulation for tungsten nanostructure formation induced by helium plasma2019

    • Author(s)
      Atsushi M. Ito
    • Organizer
      Satellite Workshop of XXXIV ICPIG and ICRP-10, Sapporo, Japan, July 14, (2019)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Sputtering and Re-deposition Effects during Fuzz Growth Process Simulated by BCA-MD-KMC Multi-hybrid Simulation2019

    • Author(s)
      Atsushi M. Ito, Arimichi Takayama, Hiroaki Nakamura
    • Organizer
      4th International Workshop on Models and Data for Plasma-Material Interaction in Fusion Devices(MoD-PMI2019), National Institute for Fusion Science, Gifu, JAPAN, June 18-20, (2019)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Realistic timescale simulation for helium plasma induced tungsten nanostructure formation by multi-hybrid simulation2019

    • Author(s)
      Atsushi M. Ito, Arimichi Takayama, Hiroaki Nakamura
    • Organizer
      The 12th Asian-European International Conference on Plasma Surface Engineering (AEPSE2019), Maison Glad Hotel, Jeju Island, Korea, September 1-5, (2019)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 二原子間ポテンシャルのユニバーサルモデル再考2019

    • Author(s)
      伊藤篤史
    • Organizer
      日本物理学会2019年秋季大会 岐阜大学, 2019年9月10-13日
    • Related Report
      2019 Annual Research Report
  • [Book] 機動戦士ガンダム 宇宙世紀vs.現代科学2022

    • Author(s)
      伊藤篤史、笠田竜太、金子俊郎、福田努、小池耕彦、坂本貴和子
    • Total Pages
      176
    • Publisher
      マイナビ出版
    • ISBN
      9784839975043
    • Related Report
      2021 Annual Research Report
  • [Remarks] 研究代表者のwebページ1

    • URL

      https://unit.nifs.ac.jp/research/archives/staff/ito-atsushi-3?paper=ItoAtsushi&unit=unit01&unitpage=43

    • Related Report
      2022 Annual Research Report
  • [Remarks] 研究代表者のwebページ2

    • URL

      http://www-fps.nifs.ac.jp/ito/

    • Related Report
      2022 Annual Research Report
  • [Remarks] 研究代表者のWebページ

    • URL

      https://fps-nifs.ac.jp/ito/

    • Related Report
      2021 Annual Research Report
  • [Remarks] 研究代表者Webパージ

    • URL

      http://www-fps.nifs.ac.jp/ito/

    • Related Report
      2020 Annual Research Report
  • [Remarks] 研究代表者のwebページ

    • URL

      http://www-fps.nifs.ac.jp/ito/

    • Related Report
      2019 Annual Research Report
  • [Remarks] NowType a Markdown Editor (研究ノート・原稿執筆支援ツール)

    • URL

      https://atsushi-m-ito.github.io/nowtype/

    • Related Report
      2019 Annual Research Report

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

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