34th IUPAP Conference on Computational Physics(CCP2023)

Presentation information

Poster

Poster

Poster 2

Mon. Aug 7, 2023 4:00 PM - 6:00 PM Reception Hall (3F)

[PS2-24] Temperature-driven Graphitization of the Diamond (111) and (100) Surfaces Studied by Graph Neural Network Molecular Dynamics

*John Isaac Guinto Enriquez1, Harry Handoko Halim1, Takahiro Yamasaki2, Masato Michiuchi2, Kouji Inagaki1, Masaaki Geshi3, Ikutaro Hamada1, Yoshitada Morikawa1,4 (1. Graduate School of Engineering, Osaka University (Japan), 2. Advanced Materials Laboratory, Sumitomo Electric Industries Ltd (Japan), 3. R^3 Institute for Newly-Emerging Science Design, Osaka University (Japan), 4. Research Center for Ultra-Precision Science and Technology, Graduate School of Engineering, Osaka University (Japan))

Keywords:diamond graphitization, graph neural network , molecular dynamics

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