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Collaborative data management environment for large scale atomic simulations of cluster impact

Research Project

Project/Area Number 17K05003
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Nanomaterials engineering
Research InstitutionKyoto University

Principal Investigator

Aoki Takaaki  京都大学, 学術情報メディアセンター, 准教授 (90402974)

Project Period (FY) 2017-04-01 – 2020-03-31
Project Status Completed (Fiscal Year 2019)
Budget Amount *help
¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Fiscal Year 2019: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2018: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2017: ¥2,340,000 (Direct Cost: ¥1,800,000、Indirect Cost: ¥540,000)
Keywordsクラスターイオンビーム / MARLOWE / 研究データマネジメント / 分子動力学法 / クラスターイオン / 計算機シミュレーション / プリ・ポストプロセス / データマネジメント / 原子衝突シミュレーション / オープンデータ化 / シミュレーション
Outline of Final Research Achievements

The platform to manage large-scale atomic coordination data was developed with the viewpoint of research data management and open science. The pre- and post-process software for legacy simulation program for ion beam science and engineering were developed for sustainable and improved use. Additionally, the simulation data of the cluster ion beam impact were collected, organized, and analyzed to characterize the difference from that of the conventional ion beam.

Academic Significance and Societal Importance of the Research Achievements

他の分野と同様、イオンビーム科学・工学分野においても計算機シミュレーションは、衝突素過程解析の為のモデル化から、製造工程におけるプロセス最適化まで、各々の目的に応じて広く用いられており、得られるデータを効率的に整理し、多様な実験や、他のシミュレーション結果との比較、検討を有機的に実施できる環境構築がより重要視されるようになっている。本研究では、FAIR原則に従い、古くからあるシミュレーションプログラムの互換性と利便性の向上、複雑な衝突過程を有するクラスターイオンのシミュレーションの可視化と解析手法を通じて、オープンサイエンス時代における研究データ管理手法の事例を示した。

Report

(4 results)
  • 2019 Annual Research Report   Final Research Report ( PDF )
  • 2018 Research-status Report
  • 2017 Research-status Report
  • Research Products

    (8 results)

All 2019 2017 Other

All Presentation (4 results) (of which Int'l Joint Research: 1 results) Remarks (4 results)

  • [Presentation] Research ecosystem and legendary scientific software2019

    • Author(s)
      Takaaki Aoki
    • Organizer
      ELEVENTH INTERNATIONAL MEETING ON RECENT DEVELOPMENTS IN THE STUDY OF RADIATION EFFECTS IN MATTER.
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Design of research data management environment for ion beam physics and engineering2019

    • Author(s)
      Takaaki Aoki
    • Organizer
      日本MRS年次大会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 伝統的イオン衝突シミュレーションプログラムの改善手法の検討2019

    • Author(s)
      青木学聡
    • Organizer
      応用物理学会春季学術講演会
    • Related Report
      2018 Research-status Report
  • [Presentation] イオンビーム研究におけるデータマネジメント方針の予備的検討2017

    • Author(s)
      青木学聡
    • Organizer
      第65回応用物理学会春季学術講演会
    • Related Report
      2017 Research-status Report
  • [Remarks] marlowe user inteface

    • URL

      https://bitbucket.org/marlowe_ui/workspace/projects/MUI

    • Related Report
      2019 Annual Research Report
  • [Remarks] SUZU - Yet another UI program for SRIM

    • URL

      https://github.com/takaakiaoki/suzu

    • Related Report
      2019 Annual Research Report 2018 Research-status Report
  • [Remarks] Marlowe User Interface (marlowe_ui)

    • URL

      https://bitbucket.org/account/user/marlowe_ui/projects/MUI

    • Related Report
      2018 Research-status Report
  • [Remarks] SUZU - Yet another UI program for SRIM ...

    • URL

      https://github.com/takaakiaoki/suzu

    • Related Report
      2017 Research-status Report

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Published: 2017-04-28   Modified: 2021-02-19  

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