2 papers
cond-mat.dis-nn2020
Icosahedral order in liquid and glassy phases of cyclohexane
Tomoko Mizuguchi, Soichi Tatsumi, Susumu Fujiwara
We performed all-atom molecular dynamics simulations for bulk cyclohexane and analysed the short- and medium-range structures in supercooled and glassy states by using the Voronoi…
cond-mat.soft2019
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…