111 citations · 677 across the 20 of their papers we have counts for
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Boson peak, elasticity, and glass transition temperature in polymer glasses: Effects of the rigidity of chain bending
Naoya Tomoshige, Hideyuki Mizuno, Tatsuya Mori +2
The excess low-frequency vibrational spectrum, called boson peak, and non-affine elastic response are the most important particularities of glasses. Herein, the vibrational and mec…
Density-Dependent Finite System-Size Effects in Equilibrium Molecular Dynamics Estimation of Shear Viscosity: Hydrodynamic and Configurational Study
Kang-Sahn Kim, Changho Kim, George Em Karniadakis +2
We study the intrinsic nature of the finite system-size effect in estimating shear viscosity of dilute and dense fluids within the framework of the Green-Kubo approach. From extens…
Diffusion dynamics of supercooled water modeled with the cage-jump motion and hydrogen-bond rearrangement
Takuma Kikutsuji, Kang Kim, Nobuyuki Matubayasi
The slow dynamics of glass-forming liquids is generally ascribed to the cage-jump motion. In the cage-jump picture, a molecule remains in a cage formed by neighboring molecules, an…
Bridging the gap between molecular dynamics and hydrodynamics in nanoscale Brownian motions
Keisuke Mizuta, Yoshiki Ishii, Kang Kim +1
Through molecular dynamics simulations, we examined hydrodynamic behavior of the Brownian motion of fullerene particles based on molecular interactions. The solvation free energy a…
Classification of mobile- and immobile-molecule timescales for the Stokes-Einstein and Stokes-Einstein-Debye relations in supercooled water
Takeshi Kawasaki, Kang Kim
Molecular dynamics simulations have been performed on TIP4P/2005 supercooled water to investigate the molecular diffusion and shear viscosity at various timescales and assess the S…