Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Computation of the Hydrodynamic Radius of Charged Nanoparticles from
  Non-equilibrium Molecular Dynamics   We have used non-equilibrium molecular dynamics to simulate the flow of water
molecules around a charged nanoparticle described at the atomic scale. These
non-equilibrium simulations allowed us to compute the friction coefficient of
the nanoparticle and then to deduce its hydrodynamic radius. We have compared
two different strategies to thermostat the simulation box, since the low
symmetry of the flow field renders the control of temperature non trivial. We
show that both lead to an adequate control of the temperature of the system. To
deduce the hydrodynamic radius of the nanoparticle we have employed a partial
thermostat, which exploits the cylindrical symmetry of the flow field. Thereby,
only a part of the simulation box far from the nanoparticle is thermostated. We
have taken into account the finite concentration of the nanoparticle by using
the result of Hasimoto (J. Fluid. Mech. {\bf 1959}, {\it 5}, 317-328 ) for the
friction force in a periodic cubic array of spheres. We have focused on the
case of polyoxometalate ions, which are inorganic charged nanoparticles. It
appears that, for a given structure of the nanoparticle at the atomic level,
the hydrodynamic radius significantly increases with the nanoparticle's charge,
a phenomenon that had not been quantified so far using molecular dynamics. The
presence of an added salt only slightly modifies the hydrodynamic radius.

23
The categories of this paper are: solv-int
12
The categories of this paper are: nucl-th
19
The categories of this paper are: eess
21
The categories of this paper are: adap-org
6
The categories of this paper are: astro-ph
16
The categories of this paper are: stat
27
The categories of this paper are: comp-gas
10
The categories of this paper are: q-bio
9
The categories of this paper are: nlin
18
The categories of this paper are: econ
0
The categories of this paper are: hep-ph
1
The categories of this paper are: cs
24
The categories of this paper are: dg-ga
30
The categories of this paper are: q-alg
36
The categories of this paper are: cmp-lg
14
The categories of this paper are: math-ph