CIFICEN   24414
CENTRO DE INVESTIGACIONES EN FISICA E INGENIERIA DEL CENTRO DE LA PROVINCIA DE BUENOS AIRES
Unidad Ejecutora - UE
congresos y reuniones científicas
Título:
Large-Scale Molecular Dynamics Study of Dewetting of Thin Liquid Films On Solid Substrates
Autor/es:
T. D. NGUYEN; M. FUENTES-CABRERA; J. D. FOWLKES; J. A. DIEZ; A. G. GONZÁLEZ; L. KONDIC; P. D. RACK
Lugar:
San Francisco
Reunión:
Conferencia; 2013 AIChE Annual Meeting; 2013
Institución organizadora:
American Institute of Chemical Engineers
Resumen:
he initial rupture of thin liquid films on a solid substrate has been
extensively investigated in experiment and continuum theory regarding
the interplay between two spontaneous mechanisms, i.e. spinodal
instability and nucleation, at the early stage of dewetting. Molecular
simulation becomes a powerful means for investigating the dewetting
dynamics and structural changes at such a short time scale while ruling
out heterogeneous nucleation, which would be almost inevitable in
experiment. The enormous challenges, however, stem from the system size
that should be sufficiently large to accommodate the tempo-spatial
growth of unstable undulate modes in the film. Using LAMMPS GPU, a
massively parallel Molecular Dynamics software package with graphics
processing units acceleration, on Titan, we are now able to study
metallic thin films at close-to-experiment length scales (i.e. hundreds
of nanometers and micrometers), consisting of up to tens of millions of
atoms. We found distinctive signatures of spinodal instability and
thermal nucleation in these systems in remarkable agreement with
previous experiments and theoretical predictions. Importantly, our
results reveal insights into the early stage of dewetting at the
atomistic level, which are inaccessible with continuum models and
experiment.