Bulletin of the American Physical Society
APS March Meeting 2011
Volume 56, Number 1
Monday–Friday, March 21–25, 2011; Dallas, Texas
Abstract: C1.00142 : A study of the structure and dynamics of the interface between a nanoparticle and a surface: the case of Cu and Ag
Author:
We performed a Molecular Dynamics study using the Embedded Atom
Method for
interatomic potentials
for silver and/or copper nanoparticles projectiles incident on Ag
and/or Cu
(100)
surfaces. Nanoparticles in the range of 1 to 2 nm in diameter
were used with
incident energies ranging from 50 to 500 meV/atom; while the surface
temperature is kept at a temperature ranging between 300 and 700K.
After collision and thermalization, distributions of nearest
neighbor
distances show a variety of values that reflect the strength of
the local
bonding. Using a Real Space Green's Function approach, we have
determined
the vibrational densities of states and the corresponding
thermodynamical
functions for a limited number of cases.
Results for the vibrational dynamics show a strong effect at the
high
frequency end of the densities reflecting the stiffness of the
bond at the
interface. Results for the vibrational enery, entropy, lattice
heat capacity
as well as Debye temperatures will be presented.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2011.MAR.C1.142
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