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Issue 1, June 2004
Physical Sciences & Mathematics
Using the Fisher Droplet Model to Study Surface Effects in Clusterization Through Percolation
Sepehr Hojjati
Contra Costa College, Lawrence Berkeley National Laboratory
Advisor:
James B. Elliott, Ph.D.
Lawrence Berkeley National Laboratory
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Abstract
The Π + Au multifragmentation data of the ISiS Collaboration
was found to follow the scaling of Fisher's droplet model. Fisher’s
model gives the concentration of clusters (e.g., nuclear
fragments) as a function of cluster size and the temperature of
the system. The model is based on an estimate of the partition function
of a cluster that has both energetic and entropic contributions.
While the energetic term is very well understood thermodynamically,
the origins of the entropic factor are less well understood. Fisher
theorized the entropic factor to have a particular functional form
based on the combinatorics of clusters. One way to gain insight
into this part of the Fisher's model is to divide the experimental
fragment yields by the energetic factor, isolating the entropic
portion. For clusters on a two-dimensional lattice, we can then
compare the result against well-known enumerations of the combinatorics,
e.g. that of the self-avoiding polygons (SAPs). In this
study we attempt to examine Fisher's functional form of the entropic
factor by using a standard d = 2 site percolation on a square lattice.
We first divide the fragment yields obtained from our model by the
percolation energetic factor and then compare our result to that
of the actual enumerations of the SAPs.
Introduction
Studying the physical states and phase transitions of matter has
long been an effective means to describe and characterize regular
matter. Using a phase diagram, one can represent the stability boundaries
between various phases of a substance. H2O, a very familiar
example of this sort of characterization, can be found in three
different phases: ice, water, and vapor. The origin of a phase transition
in a substance pertains to the pairwise potential energy between
the constituents of that substance.
Though nucleons (i.e., protons and neutrons) are held together
by the strong force and water molecules by the electromagnetic force,
nucleons and water have similar potential energy curves (Van der
Waals Potential Energy). Graphically, both have a repulsive core
and a long-range attractive tail (Figure 1). Indeed, the “liquid
drop model” for nuclei was proposed in the 1960s because “the
properties of nuclear forces, which have been deduced from the approximately
linear dependence of the binding energy and the volume on the number
of particles, are analogous to the forces that hold a liquid drop
together” (Kaplan 1963). Since nuclei bear such strong resemblance
to liquid drops, a very intuitive question arises: do nuclei exhibit
similar phase diagrams to those of regular liquids?
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1 . Potential well as a function of radius.
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Using
the data sets from equations of (EOS) and the Indiana Silicon Sphere
(ISiS) multifragmentation experiments, Elliott et al. (2002)
showed that it is possible to construct a phase diagram for nuclear
matter. Figure 2 shows such a phase diagram for the nucleus of a
krypton atom (left), which shows similar behavior to the phase diagram
of an ensemble of krypton atoms (right).
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| Figure
2. Nucleons in a krypton nucleus interacting via
the strong nuclear force (EOS experiment at LBNL) (left);
and (right) krypton atoms in a gas interacting via the electromagnetic
interaction. p and pc are the density and critical density,
respectively. Likewise, T and Tc are the temperature and critical
temperature, respectively.
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In
understanding how nuclei exhibit such an uncanny resemblance to
that of regular matter, one must investigate the conditions under
which such phase transitions occur. In the 1960s, Michael E. Fisher
proposed the “Fisher’s Droplet Model,” which provides
a general formula for the concentration of clusters of non-interacting
constituents near a system’s critical point (Fisher 1967,
1969). Fisher’s model, which is valid for many systems, gives
a parameterization for the number of the of clusters nA
of size A in a vapor at temperature T, which depends on bulk and
surface energies, as well as a topological term, which is based
on the geometry of the clusters on a lattice:

where
is the topological part of the formula, τ is a topological
exponent, Δμ is the distance from coexistence of liquid
and vapor, c0 is the surface energy coefficient,
ε is defined to be (Tc-T)/Tc,
where Tc is the critical temperature, and σ
is the surface to volume exponent.
Fisher
arrived at this expression by approximating the grand partition
function of a droplet as:
(1)
where
is the configurational partition function of a cluster of size A
at temperature T (in natural units), and z is the fugacity of the
system:
. The partition function of a cluster depends on the free energy
of the cluster, ,
where the free energy is so that .
The
energy of a droplet at a fixed configuration is given by:
(2)
where E0 is the binding energy per constituent, A is
the number of constituents, s is the surface area, and ωs is
the lost energy by constituents near the surface. The surface area
s for the most probable surface can be expressed as:
(3)
Here a0 is some geometric constant of proportionality
and σ is a critical exponent of the surface to volume. At low temperature,
where the droplets are compact, σ = 1 – 1/d, where d is the
Euclidian dimension of the system. For example, for d = 2, σ=1/2,
and, for d = 3, σ=2/3.
Fisher
estimates the entropy of a cluster as ,
a combinatorial factor, which describes the number of ways a cluster
of a given size can exist, being proportional to the number of configurations
of A identical constituents, and having the following form:
(4)
Here
is related to the limiting entropy per unit of cluster surface.
Here τ and σ are critical exponents.
One
can now write the configurational partition function of a droplet
as follows:
(5)
We
can re-write the partition function as:
(6)
Now,
the grand partition function becomes:
(7)
Here
µ is the chemical energy. The pressure of the system can be
then obtained as follows:
(8)
The
distance from coexistence is given as .
At T = Tc, the surface energy vanishes so that ω
= ωTc. We can re-write
at T = Tc as ,
and then call
the zero-temperature surface-energy coefficient and .
Assuming
an ideal gas, p = TN/V, Equation (8) shows that the concentration
of droplets with A constituents is:
(Fisher’s
Formula) (9)
In
this formula q0 is a proportionality constant.
In
the case of percolation, Δμ= 0. Percolation is a mathematical model
that can be used to investigate the spread (or flow) of an entity
on a lattice. From studying epidemics to phase transitions, percolation
effectively describes various stages of the flow, particularly at
a critical point in which the system makes a transition from one
phase to another.
When
percolation occurs, it is a standard practice to replace T
with q, the site occupation probability. The FDM then becomes:
(10)
Where
ε= (qc-q)/qc, and qc is the critical probability of the percolation
occurring.
While
the energetic term in the Fisher's equation is very well understood
thermodynamically, the origins of the entropic term are less well
understood. Fisher theorizes the entropic term to have a particular
functional form based on the combinatorics of clusters. One way
to gain insight into this part of the Fisher's formula is to divide
the experimental fragment yields by the energetic factor leaving
only the entropic portion. For clusters on a two-dimensional lattice,
we can then compare the result against well-known enumerations of
the combinatorics, e.g. that of the self-avoiding polygons (SAPs).
Self-avoiding polygons are a class of geometric polygons none of
whose sites can step over itself.
In
this study, we attempt to examine Fisher's functional form of the
entropic factor by using a standard d = 2 site percolation on a
square lattice. The goal is to explain a term whose origin is purely
physical using only a geometric model. This can give us some insight
into understanding a part of the Fisher's theory, which would otherwise
be extremely hard to understand directly.
Materials and Methods
A site percolation
simulation on a square lattice was implemented with an object-oriented
approach in the C++ programming language. To generate random clusters
on a square lattice, a standard Hoshen-Kopleman algorithm was employed
(Harvey-Gould). In a site percolation, each site on the lattice
is assigned either an occupied or an unoccupied state based on a
given occupation probability q. Using the Hoshen-Kopleman algorithm,
the lattice is then re-traversed, and every occupied site is labeled
with a unique number. Upon assigning a label to an occupied site,
the algorithm finds out if that site will become part of a previously
formed cluster, form a new cluster of its own, or join two clusters
by examining its neighbors. After the clusters of various sizes
were generated and labeled on the square lattice of side length
L, the simulation kept track of different parameters such as the
number of clusters nA of a given size A, the size of
the spanning cluster (a cluster which spans the lattice either vertically
or horizontally), the number of holes in each cluster, the average
size of the holes in a cluster, as well as the perimeter associated
with each cluster.
By
taking advantage of the Hoshen-Kopleman algorithm, in which all
the sites of a given cluster on the lattice are assigned a unique
label, many of the observables, such as the size of the clusters,
the number of the clusters of the given size, the number of holes
in each clusters and their average sizes, in the simulation were
computed using several parallel one-dimensional arrays of integers
which took the label of each cluster as their index. For counting
the perimeter of each cluster, the program used a neighborhood operation:
when visiting each site on the lattice, if the site was occupied,
thus belonging to a cluster, the program would store the label of
that site to count the perimeter of the cluster with that label.
The program would then re-traverse the entire lattice and find all
the sites which belonged to the cluster with that label. Each site
belonging to the cluster with a given label was assumed to have
a perimeter of four. Then by looking at its four neighbors, the
perimeter was decremented for each occupied neighbor. The result
would then be added to a perimeter array whose index was the label
of the visited site.
For
counting the number of holes, the program employed a novel algorithm
in which the Hoshen-Kopleman algorithm was reused. As with the counting
of the perimeter, each site on the lattice was visited and if the
site was occupied the label of that site was stored. The program
then re-traversed the entire lattice to search for all the sites
belonging to the cluster with a particular label. Upon visiting
a site that belonged to the cluster in question, that site was turned
off on a parallel lattice whose sites were all turned on initially.
When all the sites of the cluster in question were examined, the
result was a “negative image” of the cluster on the
parallel lattice. That lattice would then be processed using the
Hoshen-Kopleman algorithm. In this manner one can extract all the
information that is accessible for the clusters for the holes inside
the clusters, including the average size of the holes in a cluster
as well as the internal perimeter of the cluster (the total perimeter
of the holes).
At
each realization of the lattice with site occupancy probability
q, a data file was written that contained for every cluster size
A, the perimeter P, the number of holes, and the average size of
holes of that cluster. The raw data was then fed to the Physics
Analysis Workstation (PAW) to take the averages of the cluster yields
nA(A,P,q)
(from Equation 10).
Results
Figure
3 shows a site percolation simulation on a square lattice of side
L = 50 sites at three different site-occupancy probabilities: q
< qc, q = qc, and q >qc.
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| Figure
3. Site percolation on a square lattice at different
probabilities for lattice size = 50.
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The
preliminary analysis on the fragment yields produced the following
two graphs: Figure 4 illustrates the fragment yield distribution
scaled by the power law pre-factor against the inverse probability
scaled by Fisher’s parameterization of the surface energy
for clusters of various sizes. The cluster size of each range is
noted by a different symbol for the range of probability 0.2 <
q`< qc` . Here q` = 1 –
q, so that the lattice behavior as a function of is reminiscent
of a fluid’s behavior as a function of T. In this plot σ,
τ and qc are left to be free parameters.
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| Figure
4. Clusters of 10≤A≤20 and q
≤ qc collapse to a single curve by plotting nA(q)/q0A-tVs.
Ase/q. |
Figure
5 is a plot of the combinatorics g(P,A) versus the perimeter of
clusters P for various cluster sizes. The dashed line in this figure
denotes the ratio of ω=c/qc, which is obtained from
dividing the theoretical value of the surface tension c by the theoretical
value of the critical probability for an infinite square lattice.
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| Figure
5. A plot
of the combinatorics vs. the perimeter for various cluster
sizes. |
Discussion and Conclusions
In Figure 4,
one can clearly observe that our model validates the collapse of
data onto a single curve predicted by the Fisher’s formalism.
By looking at the fit parameters in this plot, it is found that
the values of these parameters correspond very closely to the theoretical
values (Stauffer and Aharony 1994). Here, the critical probability
qc`=
0.73 for lattice of side L = 50, while the theoretical value of
the qc for an infinite lattice is 0.59. This difference
is due to the finite size of the lattice. Also the values of the
critical exponents τ and σ are very close to the theoretical
values of these exponents. The value of τ
from the fit equals to 2.03 while the theoretical value of this
critical exponent equals to 2.05, and the value of σ
obtained from the fit equals to 0.42 while the theoretical value
of this exponent equals to 0.40.
One
might notice that the small clusters have a better collapse in this
figure, particularly for the cluster sizes 10 = A = 20. This may
have been caused by the poor statistics for the larger clusters.
As can be seen in Figure 3, large clusters are generally formed
at probabilities greater than qc. Also, the data represented here
is for only 2000 realizations, which results in poor statistics
for the probability regions of q > qc.
In Figure 5,
one can again notice the lack of statistics for the largest clusters.
Here, the g(P), which represents the combinatorics summed over all
cluster sizes and Fisher’s expression, overlaps up to perimeter
of 30 or so and then deviates from the dashed line and finally flattens
out. Flattening of the combinatorics curve is indeed an indication
of low statistics. Despite the low statistics for large clusters,
Figure 5 confirms the form of the combinatorial predicted by Fisher.
The next step in this analysis is to find out what types of combinatorics
on a two-dimensional lattice correspond to the clusters generated
on a square lattice in site percolation. Once we can understand
the entropic form of Fisher, we can apply this understanding to
nuclear data to gain some insight to the density of states.
Acknowledgements
This work was supported by the United States Department of Energy-Office
of Science and National Science Foundation. I would like to thank
my mentor, Dr. James B. Elliott, whose guidance made this work possible.
Special thanks to the Center for Science Excellence staff and the
faculty at Contra Costa College. The support and endeavors of the
Center for Science, Engineering, and Education at LBNL are greatly
appreciated.
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References
Elliott,
JB et al. (2000). Statistical signatures for critical behavior in
small systems. Physical Review Letters C. 62: 064603.
Elliott, JB et al. (2001). Constructing the phase diagram of finite
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Elliott, JB et al. (2002). The liquid to vapor phase transition
in excited nuclei. Physical Review Letters. 88: 042701.
Fisher, ME. (1967). Physics. 3: 255.
Fisher, ME. (1969). Reports on the Progress of Physics. 30: 615.
Gould, H and J Tobochnik. (1996). An Introduction to computer simulation
methods, 2nd Edition. Addison-Wesley Publishing Company, Inc., Reading,
Massachusetts.
Kaplan, I. (1963). Nuclear Physics, 2nd Edition. Addison-Wesley
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Pathria, RK. (1985). Statistical Mechanics. Pergamon Press, NYC.
Stauffer, D and A Aharony. (1994). Introduction to Percolation
Theory, 2nd Edition. Taylor & Francis Inc., Philadelphia.
Stauffer, D. (1985). Introduction to Percolation Theory. Taylor
& Francis Inc., Philadelphia.
Journal of Young
Investigators. 2004. Volume Eleven.
Copyright © 2004 by Sepehr Hojjati and JYI. All rights reserved.
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