trunk/nanoglass/title-abstract.tex

\title{Simulations of laser-induced glass formation in Ag-Cu nanoparticles}
\author{Charles F. Vardeman~II and J. Daniel Gezelter \\
Department of Chemistry and Biochemistry\\
University of Notre Dame\\
Notre Dame, Indiana 46556}

\date{\today}
\maketitle
\begin{abstract}
Using Molecular Dynamics simulations, we have simulated the rapid
cooling experienced by bimetallic nanoparticles following laser
excitation at the plasmon resonance and find evidence that glassy
beads, specifically Ag-Cu bimetallic particles at the eutectic
composition (60\% Ag, 40\% Cu), can be formed during these
experiments.  The bimetallic nanoparticles are embedded in an implicit
solvent with a viscosity tuned to yield cooling curves that match the
experimental cooling behavior as closely as possible.  Since the
nanoparticles have a large surface-to-volume ratio, experimentally
realistic cooling rates are accessible via relatively short
simulations.  The presence of glassy structural features was verified
using bond orientational order parameters which are sensitive to the
formation of local icosahedral ordering in condensed phases.  As the
particles cool from the liquid droplet state into glassy beads, a
silver-rich monolayer develops on the outer surface, and local
icosahedra can develop around the silver atoms in this monolayer.
However, we observe a strong preference for the local icosahedral
ordering around the copper atoms in the particles.  As the particles
cool, these local icosahedral structures grow to include a larger
fraction of the atoms in the nanoparticle, eventually leading to a
glassy nanosphere.
\end{abstract}
Revision:	3247
Committed:	Thu Oct 4 21:11:58 2007 UTC (16 years, 11 months ago) by gezelter
Content type:	application/x-tex
File size:	1629 byte(s)
Log Message:	new stuff
#	User	Rev	Content
1	chuckv	3208	\title{Simulations of laser-induced glass formation in Ag-Cu nanoparticles}
2			\author{Charles F. Vardeman~II and J. Daniel Gezelter \\
3			Department of Chemistry and Biochemistry\\
4			University of Notre Dame\\
5			Notre Dame, Indiana 46556}
6
7			\date{\today}
8			\maketitle
9			\begin{abstract}
10	gezelter	3247	Using Molecular Dynamics simulations, we have simulated the rapid
11			cooling experienced by bimetallic nanoparticles following laser
12			excitation at the plasmon resonance and find evidence that glassy
13			beads, specifically Ag-Cu bimetallic particles at the eutectic
14			composition (60\% Ag, 40\% Cu), can be formed during these
15			experiments. The bimetallic nanoparticles are embedded in an implicit
16			solvent with a viscosity tuned to yield cooling curves that match the
17			experimental cooling behavior as closely as possible. Since the
18			nanoparticles have a large surface-to-volume ratio, experimentally
19			realistic cooling rates are accessible via relatively short
20			simulations. The presence of glassy structural features was verified
21			using bond orientational order parameters which are sensitive to the
22			formation of local icosahedral ordering in condensed phases. As the
23			particles cool from the liquid droplet state into glassy beads, a
24			silver-rich monolayer develops on the outer surface, and local
25			icosahedra can develop around the silver atoms in this monolayer.
26			However, we observe a strong preference for the local icosahedral
27			ordering around the copper atoms in the particles. As the particles
28			cool, these local icosahedral structures grow to include a larger
29			fraction of the atoms in the nanoparticle, eventually leading to a
30			glassy nanosphere.
31	chuckv	3208	\end{abstract}