Graph Neural Network Molecular Dynamics Study of Thermal Degradation of Clean and Oxygen-terminated Diamond (111) and (100) Surfaces

John Isaac Guinto Enriquez

[A5-P501-19] Graph Neural Network Molecular Dynamics Study of Thermal Degradation of Clean and Oxygen-terminated Diamond (111) and (100) Surfaces

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

キーワード：graph neural network molecular dynamics, diamond graphitization, diamond oxidation

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[A5-P501] Poster 501

[A5-P501-19] Graph Neural Network Molecular Dynamics Study of Thermal Degradation of Clean and Oxygen-terminated Diamond (111) and (100) Surfaces