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cond-mat.soft2019
Molecular dynamics simulation for cross-linking processes and material properties of epoxy resins with the first principle calculation combined with global reaction route mapping algorithms
Yutaka Oya, Masahiro Nakazawa, Keiichi Shirasu +13
Herein, epoxy resin is cured by coupling quantum chemical (QC) calculations with molecular dynamics (MD) simulations that enable parameter-free prediction of material characteristi…
cond-mat.soft2014
Onsager's Variational Principle for the Dynamics of a Vesicle in a Poiseuille Flow
Yutaka Oya, Toshihiro Kawakatsu
We propose a systematic formulation of the migration behaviors of a vesicle in a Poiseuille flow based on Onsager's variational principle. Our model is described by a combination o…