4 papers
Viscosity Overshoot in Biaxial Elongational Flow: Coarse-Grained Molecular Dynamics Simulation of Ring-Linear Polymer Mixtures
T. Murashima, K. Hagita, T. Kawakatsu
Viscosity overshoot of entangled polymer melts has been observed under shear flow and uniaxial elongational flow, but has never been observed under biaxial elongational flow. We co…
Hydrogen bond analysis of confined water in mesoporous silica using the reactive force field
Tomoko Mizuguchi, Katsumi Hagita, Susumu Fujiwara +1
The structural and dynamical properties of water confined in nanoporous silica with a pore diameter of 2.7 nm were investigated by performing large-scale molecular dynamics simulat…
Elongational viscosity of weakly entangled polymer melt via coarse-grained molecular dynamics simulation
Takahiro Murashima, Katsumi Hagita, Toshihiro Kawakatsu
We investigated the elongational flows of the weakly entangled linear polymer melt using a coarse-grained molecular dynamics simulation. We extended the uniform extensional flow (U…
Self-Diffusion of a Polymer Chain in a Melt
Katsumi Hagita, Hiroshi Takano
Self-diffusion of a polymer chain in a melt is studied by Monte Carlo simulations of the bond fluctuation model, where only the excluded volume interaction is taken into account. P…