ソフトマテリアルのマルチスケール・マルチフィジックスシミュレーション

• 青柳 岳司

  (国研)産業技術総合研究所 機能材料コンピュテーショナルデザイン研究センター

書誌事項

タイトル別名

• Multi-Scale and Multi-Physics Simulations for Soft Materials
• ソフトマテリアル ノ マルチスケール ・ マルチフィジックスシミュレーション

抄録

Many soft materials show self-assembly structure such as microphase separation of block copolymer, micelle structure of surfactant, liquid crystalline and crystalline structures, and such structures play important roles in the function and properties of materials. Those higher order structures are much larger than single molecular structure, and fine atomistic simulations are not practical in the sense of computational power. Thus, the multiscale simulation including fine atomistic simulation and coarse-grained model is necessary for applying the computational simulation to soft material design. There are many coarse-grained models, and they are based on different physical background. Multiphysics simulation, combining coarse-grained model of different physical background is also necessary. This article introduces basic approaches of coarse-grained simulation tools for soft materials, OCTA, and examples the application. Recently, in addition to the computational simulation, the application of AI for material designs is getting widely used. We also introduce an example of the combination of AI and multiscale / multiphysics simulation.

収録刊行物

• トライボロジスト

  トライボロジスト 65 (11), 653-658, 2020-11-15

  一般社団法人 日本トライボロジー学会

キーワード

• <i>soft materials</i>
• <i>block copolymer</i>
• <i>phaseseparation</i>
• <i>coarse-graining</i>
• <i>deep learning</i>
• <i>OCTA</i>

詳細情報

• CRID: 1391975276371830016
• NII論文ID: 130007939798
• NII書誌ID: AN10056166
• DOI: 10.18914/tribologist.65.11_653
• ISSN: 21899967
• ISSN: 09151168
• NDL書誌ID: 030778039
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I030778039
• 本文言語コード: ja
• データソース種別:
  • JaLC
  • NDL
  • CiNii Articles
  • KAKEN
• 抄録ライセンスフラグ: 使用不可