TY - JOUR
T1 - Molecular Dynamics Simulations of Nanoparticle Interactions with a Planar Wall: Does Shape Matter?
AU - Andreas Fuchs, David Kauzlaric, Andreas Greiner, Sauro Succi & Jan. G. Korvink
JO - Communications in Computational Physics
VL - 3
SP - 900
EP - 915
PY - 2013
DA - 2013/03
SN - 13
DO - http://doi.org/10.4208/cicp.391011.260112s
UR - https://global-sci.org/intro/article_detail/cicp/7257.html
KW - 
AB - <p style="text-align: justify;">We investigate the hydrodynamic interactions of spherical colloidal nano
particles and nano tetrahedra near a planar wall by means of molecular dynamics
(MD) simulations of rigid particles within an all-atom solvent. For both spherical and
nano-tetrahedral particles, we find that the parallel and perpendicular components of
the local diffusion coefficient and viscosity, show good agreement with hydrodynamic
theory of Faxén and Brenner. This provides further evidence that low perturbations
from sphericality of a nanoparticle&#39;s shape has little influence on its local diffusive behaviour, and that for this particular case, the continuum theory fluid dynamics is valid
even down to molecular scales.</p>