2 papers
physics.flu-dyn2026
Extraction of slip velocity in NEMD Couette flow systems using frictional dissipation
Hiroki Kusudo, Yasutaka Yamaguchi, Gota Kikugawa
Velocity slip at the solid--fluid (SF) interface plays a key role in fluid transport at the nanoscale, and the SF friction coefficient has been extensively studied because it indic…
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…