34th IUPAP Conference on Computational Physics(CCP2023)

Presentation information

Poster

Poster

Poster 1

Sat. Aug 5, 2023 4:10 PM - 6:10 PM Reception Hall (3F)

[PS1-57] All-Atom Molecular Dynamics Study on Deformation and Fracture of Cellulose Microfibrils: Effect of Water Environment and Fibril Size

*Shin Miyake1, Ken-ichi Saitoh1, Tomohiro Sato1, Masanori Takuma1, Yoshimasa Takahashi1 (1. Kansai University (Japan))

Keywords:cellulose nanofiber, molecular dynamics, all-atom modeling, shear modulus, sttered molecular dynamics

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