Atomic-Scale Deformation/Fracture Process of Molecular Crystals: Density-Functional Tight Binding Molecular Dynamics Simulations

Yusuke Ootani

Presentation information

Oral Session

F. Functional & Structural » [F-5] Nanomechanics for materials

[F5-O301] Oral 301

Wed. Dec 13, 2023 10:00 AM - 12:00 PM Session 10 (Room B-1)

Chair: Yohei Miwa (Gifu University), Ken Kojio (Kyushu University)

10:40 AM - 10:55 AM

[F5-O301-03] Atomic-Scale Deformation/Fracture Process of Molecular Crystals: Density-Functional Tight Binding Molecular Dynamics Simulations

*Yusuke Ootani¹, Momoji Kubo^1,2 (1. Institute for Materials Research, Tohoku Univ. (Japan), 2. New Industry Creation Hatchery Center, Tohoku Univ. (Japan))

Keywords:Molecular Crystal, Density-Functional Tight Binding, Molecular Dynamics

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