**Dynamical simulation of dipolar Janus colloids: Dynamical properties**

MC Hagy and R Hernandez, JOURNAL OF CHEMICAL PHYSICS, 138, 184903 (2013).

DOI: 10.1063/1.4803864

The dynamical properties of dipolar Janus particles are studied through
simulation using our previously-developed detailed pointwise (PW) model
and an isotropically coarse-grained (CG) model ** M. C. Hagy and R.
Hernandez, J. Chem. Phys. 137, 044505 (2012)**. The CG model is found to
have accelerated dynamics relative to the PW model over a range of
conditions for which both models have near identical static equilibrium
properties. Physically, this suggests dipolar Janus particles have
slower transport properties (such as diffusion) in comparison to
isotropically attractive particles. Time rescaling and damping with
Langevin friction are explored to map the dynamics of the CG model to
that of the PW model. Both methods map the diffusion constant
successfully and improve the velocity autocorrelation function and the
mean squared displacement of the CG model. Neither method improves the
distribution of reversible bond durations f(t(b)) observed in the CG
model, which is found to lack the longer duration reversible bonds
observed in the PW model. We attribute these differences in f(t(b)) to
changes in the energetics of multiple rearrangement mechanisms. This
suggests a need for new methods that map the coarse-grained dynamics of
such systems to the true time scale. (C) 2013 AIP

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