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\chapter{Test Cases and Results}
\label{sec:results}
In this chapter we present the test case scenarios simulated in this work as well as
the results of the various simulations performed. First, a description of the
scenarios is given to detail the geometry and cross section configurations used.
Next, a comparison of deterministic results for the test scenarios is given, with
discussion and emphasis placed on the difference in the results between different
types of quadrature sets. Then, we present results and analysis of the performance of
the quadrature sets' associated Monte Carlo variance reduction parameters in the
context of both CADIS and \fwc\ simulations. Finally, a summary of the results is
given to conclude the chapter.
\section{Test Case Scenarios}
\subsection{Steel Plate in Water}
\label{sec:steel_params}
The first test case we describe is an idealized geometry of a steel plate embedded in
water; it is modeled after the scenario presented in Reference
\cite{wilsonslaybaugh}.
A diagram of the problem geometry is shown in Figure \ref{steelxz} and a list
of material properties used in the problem is given in Table \ref{steel-mat}.
In Figure \ref{steelxz}, the orange region contains the source material, the black
region is composed of steel, the blue regions indicate water, and the white region is
composed of air.
\begin{figure}[!htb]
\centering
\includegraphics[width=0.4\textwidth]{img/steel-xz.png}
\caption{Steel plate in water geometry ($x-z$ slice through $y = 25$ cm)
\cite{wilsonslaybaugh}.}
\label{steelxz}
\end{figure}
The problem measurements are $53\times50\times140$ cm. The scenario is uniform in the
$y$-direction and materials vary mainly in the $z$-direction. The source region
extends from 0 to 15 cm, the steel shield extends between 15 and 30 cm, the water and
steel plate extend from 30 to 130 cm, and the air extends from 130 to 140 cm. The
steel plate is 3 cm wide and is centered at $x = 26.5$ cm. Vacuum boundary conditions
were used at the problem boundaries.
A non-uniform Cartesian mesh was used for the spatial discretization in the
deterministic calculations. In the $x$-direction, voxel width is 5 cm between $x = 0$
cm and $x = 25$ cm, 0.5 cm between $x = 25$ cm and $x = 28$ cm, and 5 cm between
$x = 28$ cm and $x = 53$ cm. A uniform spacing of voxel width 1 cm was used in the
$y$-direction. In the $z$-direction, the spatial cell width is 3 cm between $z = 0$ cm and
$z = 30$ cm and 2 cm between $z = 30$ cm and $z = 140$ cm.
\begin{table}[!htb]
\centering
\caption{Materials and compositions in the steel plate in water scenario.}
\label{steel-mat}
\begin{tabular}{l|cc}
\textbf{Material} & \multicolumn{2}{c}{\textbf{Isotopes (Atomic \%)}} \\ \hline
\multirow{5}{*}{Source} & U-235 & (0.000247) \\
& U-238 & (0.009287) \\
& Zr-nat. & (0.004009) \\
& H-1 & (0.037394) \\
& O-16 & (0.034927) \\ \hline
\multirow{4}{*}{Air} & N-14 & (0.784431) \\
& O-16 & (0.210748) \\
& Ar-nat. & (0.004671) \\
& C-nat. & (0.000150) \\ \hline
\multirow{2}{*}{Carbon Steel} & C-nat. & (0.022831) \\
& Fe-nat. & (0.977169) \\ \hline
\multirow{2}{*}{Water} & H-1 & (2) \\
& O-16 & (1) \\
\end{tabular}
\end{table}
The composition of the neutron source block is a homogenization of water, zirconium,
and uranium and was calculated based on the geometry and composition of the Rowlands
UO$_2$ pin cell benchmark specification \cite{pincell}. The source is a U-235 fission
spectrum that is uniformly distributed throughout the homogenized material. The
compositions of air, carbon steel, and water were taken from the Compendium of
Material Composition Data for Radiation Transport Modeling \cite{pnnl}. For this scenario,
we are interested in the forward flux solutions at the end of the steel plate.
\FloatBarrier
\subsection{Dog-Legged Void Neutron (DLVN)}
The next problem modeled is the dog-legged void neutron (DLVN) experimental benchmark,
which was designed to measure neutron streaming in iron with air voids. The model used
in the following calculations was constructed from References
\cite{sw-dlvn,j-dlvn,dlvn1991}. The two materials used in the problem are elemental
iron and polyethylene. The polyethylene composition used was C$_2$H$_4$. This is
listed as ``polyethylene, non-borated'' and is material 248 in Reference \cite{pnnl}.
\begin{figure}[!htb]
\centering
\includegraphics[width=0.5\textwidth]{img/dlvn.png}
\caption{Centerline cutaway of DLVN setup \cite{sw-dlvn}.}
\label{dlvn}
\end{figure}
The problem measurements are $40\times54\times48$ inches. A uniform spatial mesh was
imposed over the entire problem, with voxels measuring 1 inch per side. The neutron
source in this problem is a Cf-252 point source located at the center of the $x-$ and
$y-$directions and at $z = 9$ inches. For reasons noted in Section \ref{sec:ptsrc},
this point source was approximated as a small volumetric source in the tests in this
work. We are interested in the forward flux solutions at the various detector locations
shown in Figure \ref{dlvn}.
The experimental configuration is symmetric about the $y-z$ plane at $x = 0$ and so is
usually simulated with a reflecting boundary at $x = 0$ and vacuum boundaries on all
other sides of the configuration. For the tests in this work, the use of reflecting
boundary conditions was not available (see Section \ref{sec:bc}), so the model used
was constructed to represent the entire experimental geometry configuration. Vacuum
boundary conditions were applied to the outside of the entire problem.
\FloatBarrier
\subsection{Ispra Sodium Benchmark}
The Ispra sodium benchmark experiment was constructed as part of experiments to study
neutron deep penetration in homogeneous materials commonly used in advanced nuclear
reactors. It is included in the Shielding Integral Benchmark Archive and Database
(SINBAD) data library \cite{sinbad}. We will give a brief overview of the material and
geometry configuration here and refer the reader to Reference \cite{sinbad} for a
complete description of the experiment.
The neutron source consists of fission neutrons originating from an enriched U disc
that was subjected to a neutron flux leaving the thermal column of a TRIGA MARK II
reactor. An irradiation tunnel assembly composed of steel containers filled with Na
was constructed in front of the neutron source converter. The total length of the
irradiation tunnel was 400 cm. A diagram of the experimental geometry is shown in
Figure \ref{eurac}; we are interested in the forward flux solutions in the detector
array located along the midline of the assembly.
\begin{figure}[!htb]
\centering
\includegraphics[width=\textwidth]{img/eurna-2v.png}
\caption{Cross sectional views of the sodium benchmark assembly.}
\label{eurac}
\end{figure}
In the simulation of this benchmark configuration, the boundaries are -300 cm and 500
cm in the $x-$direction and -400 and 400 cm in both the $y-$ and $z-$directions.
The spatial mesh in this problem is uniform in the $y-$ and $z-$directions with a
voxel width of 5 cm per side in these dimensions. The $x-$direction mesh was
created such that voxels are 10 cm wide between $x =$ -300 and -100 cm, 5 cm wide
between $x =$ -100 and 400 cm, and 10 cm wide between $x =$ 400 and 500 cm. The problem
has vacuum boundary conditions.
\FloatBarrier
\subsection{Simplified Portal Monitor}
The final problem described here is a simplified portal monitor scenario. Portal
monitors are large detector panels used to screen cargo for illicit radioactive
materials. The problem models a cargo container holding a Ba-133 photon point source
and large blocks of homogenized iron and polyethylene.
The geometry and material configuration used in this test is the same as the
example problem listed in Section 7.2 of the ADVANTG technical report \cite{advantg};
slight modifications were made to the given MCNP input deck such that the problem
could be studied with both CADIS and \fwc\ calculations. Diagrams of the simplified
portal monitor problem are shown in Figure \ref{p1}.
\begin{figure}[!htb]
\centering
\begin{subfigure}{0.475\textwidth}
\includegraphics[width=\textwidth]{img/portal1.png}
\end{subfigure}
\begin{subfigure}{0.475\textwidth}
\includegraphics[width=\textwidth]{img/portal2.png}
\end{subfigure}
\caption{Top and side views of simplified portal problem \cite{advantg}.}
\label{p1}
\end{figure}
In Figure \ref{p1}, the different colors represent different materials. The NaI
detectors are red and the gray material is concrete. The two types of material blocks
are iron, shown in green, and polyethylene, shown in white. The steel cargo container
surrounds the particle source and material blocks and is a semitransparent blue. Here
we are interested in the forward flux solutions at the four detector locations.
A non-uniform Cartesian mesh that captures all of the problem's material boundaries
was constructed for this simulation. The voxels are nominally 10 cm thick within the
cargo container. Additional mesh planes parallel to the $x-$axis were added to the
gaps between the homogenized iron and polyethylene blocks \cite{advantg}. Vacuum
boundary conditions are present at all problem edges.
\subsection{Calculation Parameters}
\subsubsection{Deterministic}
\label{params}
All of the deterministic calculations used 32 processes on a 2.8GHz AMD
Opteron\texttrademark\ 6320 Processor \cite{amd}, two for each logical CPU unit.
With this in mind, all deterministic calculations were set to use the same Denovo
computational block structure of 8 blocks
in the $x-$dimension, 4 blocks in the $y-$dimension, and 1 block in the $z-$dimension;
thus the total number of computational blocks equals the number of processes.
Denovo uses the Koch-Baker-Alcouffe (KBA) parallel sweep algorithm for high
parallel efficiency in calculating transport sweeps \cite{denovo}; the aforementioned
block structure was chosen to achieve the same parallel decomposition among all test
case deterministic simulations.
All but one of the test cases use the same coarse energy group structure specified in
the ``27n19g'' library; the groups in this library are listed in Table A-1 of
Appendix A of the ADVANTG technical report \cite{advantg}. The exception to this is
the simplified portal problem. The highest energy emission line of Ba-133 is 383.8
keV, so weight window bounds above this energy would not be used in the Monte Carlo
simulation. Thus, the highest energy group of the deterministic calculations was set
to group number 41, which has an upper energy of 400 keV \cite{advantg}. Because
energy discretization is treated the same way between the traditional discrete
ordinates formulation and the LDO equations, it was assumed that energy group
structure would not greatly impact the comparative results.
The step characteristics (SC) spatial discretization was used in all of the
deterministic calculations based on the recommendation listed in Section 9.1.3 of the
Exnihilo user manual \cite{exum}. In the DLVN and portal monitor scenarios, the point
sources are approximated as small spherical volumetric sources (see Section
\ref{sec:ptsrc} for detail).
Except for the Galerkin quadratures, all runs used a P$_5$ scattering expansion. At
the time of this writing, Galerkin quadrature sets are implemented in the Exnihilo
framework with the restriction that the \pn order be one greater than the \sn order.
That is, for the Galerkin quadrature set of \sn order 2, the corresponding \pn order
is set equal to 3, and for the Galerkin quadrature set of \sn order 4, the \pn order
is 5.
\subsubsection{Monte Carlo}
\label{mcparams}
The Monte Carlo calculations in this work were run on one Dell PowerEdge C6220
server blade node with two Intel Xeon 10-core Ivy Bridge processors (a total
of 20 cores) \cite{savio}. All calculations were specified to use 21 MPI
tasks; MCNP reserves one ``master'' process for communication and transports
particles with the remaining available tasks \cite{mcnp}. So, for the purpose
of parallel efficiency, one transport process per hardware core was used here.
All of the Monte Carlo calculations were run with a fixed number of particle
histories to simulate. For the steel plate in water, Ispra sodium benchmark, and
simplified portal monitor cases, all calculations used 1\E{9} particle histories in
both the CADIS and \fwc\ contexts. The DLVN experimental benchmark case was simulated
with 1\E{10} neutron histories as it was modeled after calculations in Reference
\cite{sw-dlvn}. All Monte Carlo tally results and following calculations
are reported with the one standard deviation confidence interval $\xbar(1\pm R)$ where the
relative error $R \equiv S_{\xbar}/\xbar$ \cite{mcnp}.
\FloatBarrier
\section{Deterministic Forward Flux Calculations}
\label{sec:det-fwd}
Before investigating deterministic flux solutions resultant from solving the LDO
equations as input for Monte Carlo variance parameter generation, it behooves us to
compare the LDO deterministic results against those of standard quadrature set types.
We start here by presenting results and analysis for forward scalar flux solutions
using different quadrature types for the four test cases. We assume extensibility of
these results to adjoint scalar flux solutions since the changes to the Exnihilo code
suite made in this work did not impact the transport solvers in the Denovo package.
For all of the quadrature set types and sizes discussed above, a forward simulation of
each test case was run via the Exnihilo framework. The following results show a
representative quadrature set chosen for each type. With the exception of the
Galerkin quadrature set featured, the angular refinement of the representative
quadrature sets was chosen such that the quadrature sets have approximately the same
total number of angles. The QR quadrature set is of order 4 and has 128 angles, the
LDFE set is order 1 with 128 angles, and the LDO set is of order 11 with 144 angles.
The Galerkin quadrature set chosen as the representative example here is of order 4
and has 24 angles. This set was chosen because its corresponding \pn order is 5 and so
the scattering data used matches that of the other quadrature types.
Because more results were generated than are presented here, a fuller set of figures
is hosted at \url{http://dx.doi.org/10.6084/m9.figshare.6063053}.
\subsection{Quadrature Sets}
In these preliminary deterministic calculations, forward solutions for the test cases
were generated using quadruple range (QR), Galerkin, linear-discontinuous finite
element (LDFE), and LDO quadrature sets. All test cases were run with the same
quadrature sets; increasing sizes of quadrature sets were used to ascertain the
angular mesh refinement necessary for a given quadrature type to converge to a
solution.
QR quadrature sets were chosen to generate the reference results against which the
LDO results are compared. QR was selected because they are commonly used
in hybrid methods for Monte Carlo variance reduction parameter generation and
therefore provide a relevant baseline. The Exnihilo
framework allows the user to select the number of polar and azimuthal angles in each
octant when using a QR quadrature set; for these studies, the number of polar and
azimuthal angles per octant were each set to the same value, with the values ranging
from one per octant (for a total of eight angles) to nine per octant (for a total of
648 angles).
LDFE and Galerkin quadrature sets were also chosen because of their interesting
mathematical properties. Compared to QR quadrature sets, LDFE quadrature sets have
been shown to exhibit more accurate solutions for the scalar flux in both
simple and more complex geometry and material configurations \cite{ldfe}; they
approximate the angular flux using direction cosines and are determined by requiring
that the integration of the related interpolation basis functions is equal to the
surface area of a unit sphere. For LDFE quadrature sets, if $N$ is the order of the
quadrature, there are $4^{(N+1)}$ angles per octant \cite{exum}. In this work, the
LDFE quadrature orders used were one (128 total angles) and two (8192 total angles).
Galerkin quadrature sets offer several advantages relative to the standard \sn method
for problems with highly anisotropic scattering \cite{morel}. Similar to the LDO
equations, the ``hybrid collocation-Galerkin-S$_\mathrm{N}$'' method developed by
Morel has the same algebraic structure as the traditional discrete ordinates
equations but employs a nonstandard scattering treatment.
For reasons discussed below in Section \ref{params}, the Galerkin quadrature orders
used were 2 and 4. For an \sn order $N$, a given Galerkin quadrature set (as
implemented in Exnihilo) has a total of $N(N+2)$ angles; the Galerkin quadrature sets
used in this work have 8 and 24 total angles, respectively.
The degrees and sizes of the LDO quadrature sets used are listed in Table
\ref{ldo-n}.
\begin{table}[!htb]
\centering
\caption{Properties of LDO quadrature sets used in preliminary scaling studies.}
\begin{tabular}{cc}
\multicolumn{1}{l}{\textbf{Quadrature Order ($\mathbf{N}$)}} &
\multicolumn{1}{l}{\textbf{Number of Points}} \\
\hline
3 & 16 \\
5 & 36 \\
8 & 81 \\
9 & 100 \\
11 & 144 \\
12 & 169 \\
13 & 196 \\
14 & 225 \\
\end{tabular}
\label{ldo-n}
\end{table}
\FloatBarrier
\subsection{Steel Plate in Water}
\label{sec:steel-fwd}
Figure \ref{steel-fwd-slices} shows a representative forward scalar flux slice plot
for each quadrature type. Each of the flux slices is at the midplane of the
$y-$dimension such that $y = 25$ cm. The geometry/material borders are outlined on
each plot as well. All plots show the same expected result -- the scalar flux is
highest in the source region and drops off by orders of magnitude along the $z-$axis.
To more thoroughly evaluate the LDO quadrature set in this test case, we will look
more closely at the differences between the representative LDO flux and the three
other quadrature types. Figure \ref{steel-fwd-diff-rel} shows three plots of relative
flux differences; each plot compares the representative LDO quadrature set against one
of the standard quadrature set types. The relative flux difference is calculated as
\begin{equation}
\phi_{\mathrm{diff}} =
\frac{\left|\phi_{\mathrm{LDO}}-\phi_{\mathrm{ref}}\right|}{\phi_{\mathrm{ref}}}
\label{flux-diff}
\end{equation}
\noindent where $\phi_{\mathrm{ref}}$ is the scalar flux calculated using the
standard quadrature set and is taken to be the reference value. For all three of the
standard quadrature sets, the area of greatest agreement with the LDO scalar flux is
towards the bottom of the problem geometry, with discrepancies growing along the
$z-$axis. The greatest difference can be seen between the LDO and Galerkin quadrature
sets, while the LDO and QR quadrature sets agree best. The area of greatest
discrepancy between the QR and LDO flux solutions is in the region of air just beyond
the steel beam. We will look more in depth as to why this is in Section
\ref{sec:steel-cad} and briefly note here that this particular deviation is most
likely due to issues in processing iron cross section data inherent to deterministic
calculations.
Table \ref{steel-fwd-diff-table} lists the minimum, maximum, and average differences
between various quadrature types for the flux slices plotted in Figure
\ref{steel-fwd-diff-rel}. We compare the representative LDO flux solution to the
solutions from the three standard representative quadrature types and also
compare the Galerkin and LDFE results against the QR result. On average, the LDO
forward flux solution matches the QR flux solution more closely than it matches either
the Galerkin or LDFE flux solutions. Additionally, the LDO flux solution matches the
QR flux solution more closely than do either of the Galerkin and LDFE flux solutions.
\begin{table}[!hbt]
\centering
\caption{Steel plate forward scalar flux extremal and average relative differences.}
\label{steel-fwd-diff-table}
\begin{tabular}{l|ccc}
\textbf{Comparison} & \textbf{Min. Diff.} & \textbf{Max. Diff.} & \textbf{Avg. Diff.}
\\ \hline
LDO/QR & 6\E{-6} & 1.09\E{-1} & 2.21\E{-2}
\rule{0pt}{2.6ex} \\
LDO/Galerkin & 2\E{-5} & 4.51\E{0} & 9.30\E{-1} \\
LDO/LDFE & 5\E{-7} & 2.79\E{-1} & 9.42\E{-2} \\
Galerkin/QR & 3\E{-5} & 8.24\E{-1} & 2.90\E{-1} \\
LDFE/QR & 2\E{-7} & 2.48\E{-1} & 9.63\E{-2}
\end{tabular}
\end{table}
Looking at Figures \ref{steel-fwd-slices} and \ref{steel-fwd-diff-rel} we note that
the forward scalar flux solutions from the LDO equations capture the same physical
trends as the standard quadrature type solutions and also that the LDO flux solution
most closely matches that using the QR quadrature set. Additionally, Table
\ref{steel-fwd-diff-table} shows an average difference of 2.2\% between the
plotted flux solutions from the representative LDO and QR quadrature sets, which is
the lowest average difference seen in the comparisons here. As QR quadratures are
commonly used for Monte Carlo variance reduction parameter generation, the relative
agreement of the LDO scalar flux with the QR scalar flux motivates the exploration of
the use of LDO scalar flux solutions for Monte Carlo variance reduction parameter
generation.
\begin{figure}[!htb]
\centering
\begin{subfigure}{0.4\textwidth}
\includegraphics[max height=0.445\textheight]
{img/steel-plots/fwd/flux-qr04-slice.eps}
\subcaption{QR forward flux slice.}
\end{subfigure} ~
\begin{subfigure}{0.4\textwidth}
\includegraphics[max height=0.445\textheight]
{img/steel-plots/fwd/flux-gkn04-slice.eps}
\subcaption{Galerkin forward flux slice.}
\end{subfigure}
\\
\begin{subfigure}{0.4\textwidth}
\includegraphics[max height=0.445\textheight]
{img/steel-plots/fwd/flux-ldfe01-slice.eps}
\subcaption{LDFE forward flux slice.}
\end{subfigure} ~
\begin{subfigure}{0.4\textwidth}
\includegraphics[max height=0.445\textheight]
{img/steel-plots/fwd/flux-ldo11-slice.eps}
\subcaption{LDO forward flux slice.}
\end{subfigure}
\caption{Steel plate forward scalar flux slices.}
\label{steel-fwd-slices}
\end{figure}
\begin{figure}[!htb]
\centering
\begin{subfigure}{0.4\textwidth}
\includegraphics[max height=0.445\textheight]
{img/steel-plots/fwd/flux-diff-rel-qr04.eps}
\subcaption{LDO/QR flux rel. diff.}
\end{subfigure} ~
\begin{subfigure}{0.4\textwidth}
\includegraphics[max height=0.445\textheight]
{img/steel-plots/fwd/flux-diff-rel-gkn04.eps}
\subcaption{LDO/Galerkin flux rel. diff.}
\end{subfigure}
\\
\begin{subfigure}{0.4\textwidth}
\includegraphics[max height=0.445\textheight]
{img/steel-plots/fwd/flux-diff-rel-ldfe01.eps}
\subcaption{LDO/LDFE flux rel. diff.}
\end{subfigure}
\caption{Steel plate forward scalar flux relative difference slices.}
\label{steel-fwd-diff-rel}
\end{figure}
\FloatBarrier
\subsection{DLVN}
For the DLVN test case, we present flux slice plots for the same representative
quadrature sets listed in Section \ref{sec:steel-fwd}. Although the entire DLVN
experimental geometry was simulated, here we plot only half of the configuration; this
is the typical view of the benchmark seen in the literature.
Figure \ref{dlvn-fwd-slices} shows the forward scalar flux for each of the
representative quadrature sets at the midplane of $y = 27$ inches (68.58 cm). Each of
the plots has outlines of the material boundaries with the detector locations
delineated as well. As expected, the flux is highest at the neutron source and
decreases as particles move through the experimental configuration.
With this, we again look at the differences between the representative LDO flux and
the three other quadrature types.
As with the previous test case, the flux differences
are calculated with Equation \ref{flux-diff}. In the DLVN scenario, the
differences stem from the source location. This is not surprising; the particle source
here is approximately a point source and so these differences are appearing in the
form of ray effects, where the discrete angles in the LDO quadrature set do not
overlap with the angles in a given standard quadrature set. Similar to the steel plate
in water test case, the LDO scalar flux best matches the QR scalar flux and the
largest differences are seen between the LDO and Galerkin scalar flux plots. Looking
at Figure \ref{dlvn-fwd-diff-gkn}, the areas of greatest discrepancy appear as ray
effects; the relative coarseness of the representative Galerkin quadrature set angular
mesh is likely the cause of this. This is visibly pronounced in the DLVN case because
of the geometrically small particle source; it is also likely the source of the
LDO/Galerkin discrepancy seen above for the steel plate embedded in water, but ray
effects are lessened in that scenario by the larger volumetric source.
Lastly, it is instructive to compare the results of the forward deterministic scalar
flux solutions with the experimentally measured flux values at the detector locations.
Table \ref{dlvn-fwd-det} lists the experimentally measured \cite{dlvn1991} and
deterministically calculated scalar flux values at the detector locations noted in
Figure \ref{dlvn}. Table \ref{dlvn-fwd-det-diff} lists the percent differences
between the deterministically calculated flux values and experimentally determined
flux values with the lowest difference for each detector location emphasized.
\begin{table}[!htb]
\centering
\caption{DLVN benchmark experimental and simulated scalar flux values [n/cm$^2$/s].}
\label{dlvn-fwd-det}
\begin{tabular}{l|ccccccc}
& Det. \#5 & Det. \#9 & Det. \#11 & Det. \#12
& Det. \#13 & Det. \#14 \\ \hline
Exp. Flux & 6.97\E{-8} & 1.57\E{-7} & 8.81\E{-6} & 2.60\E{-7}
& 1.42\E{-6} & 2.74\E{-7} \rule{0pt}{2.6ex} \\
QR & 4.98\E{-8} & 1.68\E{-7} & 8.65\E{-5} & 4.92\E{-7}
& 2.71\E{-6} & 1.45\E{-6} \\
Galerkin & 3.24\E{-8} & 1.47\E{-7} & 8.19\E{-5} & 4.43\E{-7}
& 2.95\E{-6} & 9.55\E{-7} \\
LDFE & 5.12\E{-8} & 1.76\E{-7} & 9.17\E{-5} & 5.14\E{-7}
& 2.93\E{-6} & 1.47\E{-6} \\
LDO & 4.56\E{-8} & 1.39\E{-7} & 7.88\E{-5} & 4.28\E{-7}
& 2.37\E{-6} & 1.28\E{-6}
\end{tabular}
\end{table}
\begin{table}[!htb]
\centering
\caption{Percent differences between DLVN experimental and simulated scalar flux
values.}
\label{dlvn-fwd-det-diff}
\begin{tabular}{l|ccccccc}
& Det. \#5 & Det. \#9 & Det. \#11 & Det. \#12
& Det. \#13 & Det. \#14 \\ \hline
QR & \textbf{25.58} & 6.89 & 881.94 & 89.09
& 90.63 & 428.81 \\
Galerkin & 53.48 & \textbf{6.37} & 829.72 & 70.56
& 107.7 & \textbf{248.42} \\
LDFE & 26.61 & 12.3 & 940.41 & 97.75
& 106.4 & 435.01 \\
LDO & 34.61 & 11.2 & \textbf{794.75} & \textbf{64.46}
& \textbf{66.77} & 368.24
\end{tabular}
\end{table}
Looking at Table \ref{dlvn-fwd-det-diff} we see that all of the calculated values fall
outside of the experimental uncertainty of five percent \cite{dlvn1991}. The
results from the LDO quadrature set most closely match the experimental results for
half of the detector locations. This begs the question of how the LDO equations would
perform in the context of the \fwc\ method for the DLVN problem since the adjoint
source can be set to multiple detector locations. Table \ref{dlvn-fwd-diff-table}
lists the extreme and average values of the forward flux relative difference slices
shown in Figure \ref{dlvn-fwd-diff-rel} with Galerkin/QR and LDFE/QR comparisons
included for reference. We see that, on average, the LDO forward flux
solution matches the QR forward flux solution better than it matches those of the other
quadrature types. However, in this case, the LDFE flux solution matches the QR flux solution
on average better than any other quadrature type, including the LDO flux solution
(5\% difference versus 8.4\% difference).
\begin{table}[!hbt]
\centering
\caption{DLVN benchmark forward scalar flux extremal and average relative
differences.}
\label{dlvn-fwd-diff-table}
\begin{tabular}{l|ccc}
\textbf{Comparison} & \textbf{Min. Diff.} & \textbf{Max. Diff.} & \textbf{Avg. Diff.}
\\ \hline
LDO/QR & 2\E{-4} & 8.40\E{-1} & 8.44\E{-2} \rule{0pt}{2.6ex} \\
LDO/Galerkin & 1\E{-6} & 2.14\E{0} & 2.42\E{-1} \\
LDO/LDFE & 3\E{-5} & 8.71\E{-1} & 1.17\E{-1} \\
Galerkin/QR & 3\E{-4} & 6.37\E{-1} & 1.92\E{-1} \\
LDFE/QR & 3\E{-5} & 2.67\E{-1} & 5.05\E{-2}
\end{tabular}
\end{table}
Noting the potential performance of the LDO quadrature sets in the \fwc\ context and
having observed fairly good agreement between the LDO forward flux result and the QR
forward flux result, we will further pursue solutions of the LDO equations as input
for Monte Carlo variance reduction parameter generation for the DLVN problem.
\begin{figure}[!htb]
\centering
\begin{subfigure}{0.4\textwidth}
\includegraphics[max height=0.445\textheight]
{img/dlvn-plots/fwd/flux-qr04-slice.eps}
\subcaption{QR forward flux slice.}
\end{subfigure} ~
\begin{subfigure}{0.4\textwidth}
\includegraphics[max height=0.445\textheight]
{img/dlvn-plots/fwd/flux-gkn04-slice.eps}
\subcaption{Galerkin forward flux slice.}
\end{subfigure}
\\
\begin{subfigure}{0.4\textwidth}
\includegraphics[max height=0.445\textheight]
{img/dlvn-plots/fwd/flux-ldfe01-slice.eps}
\subcaption{LDFE forward flux slice.}
\end{subfigure} ~
\begin{subfigure}{0.4\textwidth}
\includegraphics[max height=0.445\textheight]
{img/dlvn-plots/fwd/flux-ldo11-slice.eps}
\subcaption{LDO forward flux slice.}
\end{subfigure}
\caption{DLVN benchmark forward scalar flux slices.}
\label{dlvn-fwd-slices}
\end{figure}
\begin{figure}[!hbt]
\centering
\begin{subfigure}{0.4\textwidth}
\includegraphics[max height=0.445\textheight]
{img/dlvn-plots/fwd/flux-diff-rel-qr04.eps}
\subcaption{LDO/QR flux rel. diff.}
\end{subfigure} ~
\begin{subfigure}{0.4\textwidth}
\includegraphics[max height=0.445\textheight]
{img/dlvn-plots/fwd/flux-diff-rel-gkn04.eps}
\subcaption{LDO/Galerkin flux rel. diff.}
\label{dlvn-fwd-diff-gkn}
\end{subfigure}
\\
\begin{subfigure}{0.4\textwidth}
\includegraphics[max height=0.445\textheight]
{img/dlvn-plots/fwd/flux-diff-rel-ldfe01.eps}
\subcaption{LDO/LDFE flux rel. diff.}
\end{subfigure}
\caption{DLVN benchmark forward scalar flux relative difference slices.}
\label{dlvn-fwd-diff-rel}
\end{figure}
\FloatBarrier
\subsection{Ispra Sodium Benchmark}
\label{sec:eurac-fwd}
For this test case, the
representative LDO quadrature set is of order 9 and has 100 total angles (as opposed
to the LDO set of order 11 used for the other cases). Of the LDO quadrature orders
listed in Table \ref{ldo-n}, only the smallest four quadrature sets (orders 3, 5, 8,
and 9) were available for use with the given test case and computational hardware
configuration. Recalling the discussion in Chapter \ref{ch:method}, we will point out
that, when solving the LDO equations, the angular flux coefficient solution vector
scales as the number of discrete angles used in the simulation. This solution vector
exists for every energy group in every spatial cell and this particular test case used
over 3 million spatial cells. So, the use of the larger LDO quadrature sets was not
possible given the parameters listed above in Section \ref{params} because the memory
requirement exceeded what was available.
Figure \ref{eurac-fwd-slices} shows flux slice plots for each representative
quadrature set with outlines of the neutron source, the sodium apparatus boundaries,
and the detector locations in the experimental configuration. All plots are at the problem
midplane of $y = 0$ cm.
Ray effects are particularly apparent in all of the flux slices. Although the
particle source is a volume rather than a point,
the geometry of the source volume creates the anisotropies observed in the solutions.
Additionally, the volume of the source is comparatively small relative to the overall
scenario geometry, so we see ray effects on this larger scale.
Let us again look at the differences between the representative LDO flux and the three
other quadrature types. As with the previous test cases, the flux difference is
calculated using Equation \ref{flux-diff}. Like the DLVN test case, Figure
\ref{eurac-fwd-diff-rel} shows numerous ray effects. The ray effects are likely
exacerbated by the use of a coarser LDO quadrature set, but the primary cause is most
likely the anisotropic disk source. Like the preceding two test cases, the worst match
is between the LDO and Galerkin results. Here, the comparisons of the LDO flux
solution with the QR and LDFE flux solutions look fairly similar, with the areas of
best agreement located in the sodium container and the regions of greatest
discrepancy located along rays far from the neutron source disk.
As this test case scenario is an actual experimental benchmark, it is pertinent to
compare the results of the simulations performed in this work against the experimental
data listed in the benchmark. Keeping in mind that this work aims to compare the
calculations using LDO quadrature sets with calculations using standard quadrature
sets, we present a simplified analysis and comparison here to gauge the representative
LDO quadrature set among the representative standard quadrature sets. For each
detector location in the sodium block, the absolute saturation activity of the
\ce{^{32}S}(n,p)\ce{^{32}P} reaction was measured experimentally using sulfur
detectors. The listed activity values are normalized for varying detector mass such
that the activities are listed in becquerels per gram \cite{eurac}.
To compare the scalar flux output resultant from the Exnihilo calculations with the
absolute saturation activity values listed in the experimental benchmark, we use the
flux values to calculate a reaction rate density \cite{dude} comparable with the
listed activity values:
\begin{equation}
A = N\sigma\phi,
\label{eq:act}
\end{equation}
\noindent where $A$ is the specific activity in becquerels per gram, $N$ is the number
density of the sulfur detectors in atoms per gram, $\sigma$ is the cross section of
the \ce{^{32}S}(n,p)\ce{^{32}P} reaction in cm$^2$, and $\phi$ is the scalar flux at
the detector location in neutrons per cm$^2$ per second. For these calculations, we
have used the values of $N = 0.0188$\E{24} atoms per gram of sulfur \cite{sinbad} and
an average cross section value of $\sigma = 6.5$\E{-26} cm$^2$ \cite{s32xs}.
Additionally, since the neutron source strength is normalized to unity in Exnihilo,
the flux values were multiplied by a factor of 1.948\E{11}, the calculated number of
source neutrons per second exiting the source disk in the direction of the detectors
\cite{sinbad}. The \ce{^{32}S}(n,p)\ce{^{32}P} reaction has a threshold of 2.7 MeV
\cite{eurac}, so the scalar flux values used in these calculations are those
corresponding to the two highest energy groups in the 27n19g library. Results are
listed in Table \ref{eurac-fwd-det} with detector \#1 located closest to the neutron
source and detector \#7 located farthest from the source.
% https://tex.stackexchange.com/a/50355 re: spacing and exponents
\begin{table}[!htb]
\footnotesize
\centering
\caption{Ispra sodium benchmark experimental and simulated detector activities
[Bq/g].}
\label{eurac-fwd-det}
\begin{tabular}{l|ccccccc}
& Det. \#1 & Det. \#2 & Det. \#3 & Det. \#4
& Det. \#5 & Det. \#6 & Det. \#7 \\ \hline
Exp. Act. & 3.237\E{4} & 1.971\E{3} & 1.036\E{2} & 6.270\E{0}
& 4.200\E{-1} & 3.030\E{-2} & 1.990\E{-3} \rule{0pt}{2.6ex} \\
Exp. Err. & 5.7\% & 5.7\% & 5.7\% & 6.0\% & 6.0\% & 6.0\% & 15.0\% \\
QR & 2.472\E{4} & 7.474\E{2} & 6.507\E{1} & 3.142\E{0}
& 8.114\E{-2} & 4.152\E{-3} & 2.446\E{-4} \\
Galerkin & 2.435\E{4} & 6.702\E{2} & 4.460\E{1} & 1.870\E{0}
& 3.969\E{-2} & 1.665\E{-3} & 7.228\E{-5} \\
LDFE & 2.463\E{4} & 7.071\E{2} & 6.031\E{1} & 2.787\E{0}
& 6.862\E{-2} & 3.395\E{-3} & 1.953\E{-4} \\
LDO & 2.471\E{4} & 7.446\E{2} & 6.512\E{1} & 3.087\E{0}
& 7.796\E{-2} & 3.926\E{-3} & 2.255\E{-4}
\end{tabular}
\end{table}
It is apparent that the activities calculated using the scalar flux values from
Exnihilo do not match those determined experimentally; this is likely due to the
simplifications made in the activity calculations using the simulations' scalar flux
output. That is, using a finer energy group structure and more sophisticated cross
section values would produce detector activities closer to those determined
experimentally. However, the values arrived at here are still instructive in
analyzing overall physical trends and useful for comparing the LDO quadrature set
against the standard quadrature sets.
Table \ref{eurac-fwd-det-ratio} lists the ratios
of the deterministic activity calculations to the experimental values to explore the
behavior of the different quadrature types. For each detector location, the ratio
closest to unity is emphasized. It is immediately apparent that the QR scalar flux
values are the most closely matching for all detector locations except Detector \#3,
where the LDO scalar flux value is the closest. Even so, for all detector locations,
the LDO ratio value is closer to the QR ratio value than are either the LDFE or
Galerkin ratios.
\begin{table}[!htb]
\small
\centering
\caption{Ispra sodium benchmark experimental and simulated detector activity ratios.}
\label{eurac-fwd-det-ratio}
\begin{tabular}{l|ccccccc}
& Det. \#1 & Det. \#2 & Det. \#3 & Det. \#4
& Det. \#5 & Det. \#6 & Det. \#7 \\ \hline
QR & \textbf{0.764} & \textbf{0.379} & 0.628 & \textbf{0.501}
& \textbf{0.193} & \textbf{0.137} & \textbf{0.123} \\
Galerkin & 0.752 & 0.340 & 0.431 & 0.298
& 0.095 & 0.055 & 0.036 \\
LDFE & 0.761 & 0.359 & 0.582 & 0.445
& 0.163 & 0.112 & 0.098 \\
LDO & 0.763 & 0.378 & \textbf{0.629} & 0.492
& 0.186 & 0.130 & 0.113
\end{tabular}
\end{table}
Like the experimental activities, the
activities calculated with the deterministic scalar flux values decrease
logarithmically as the distance from the source increases. For all of the quadrature
types, the calculated activities decrease more quickly than the experimental results.
Detectors 2, 3, 5, 6, and 7 all see the deterministically calculated activities at
one order of magnitude lower than the respective experimental activities (except for
the case of the Galerkin quadrature result at detector 7 which is two orders of
magnitude below the experimental activity). One possible reason for these
discrepancies is the presence of iron in the structure of the benchmark assembly. As
we will discuss more in depth in Section \ref{sec:steel-cad}, it is not unexpected
that deterministically calculated results in the presence of iron are lower
than those seen experimentally.
Table \ref{eurac-fwd-diff-table} lists the extreme and average values of the
forward flux solution relative differences shown in Figure \ref{eurac-fwd-diff-rel} as
well as comparisons of the QR flux solution against those of the Galerkin and LDFE
flux solutions. On average, all of the flux solutions show poor agreement, with the
best match being a 26\% difference between the LDO and LDFE forward flux solutions.
\begin{table}[!hbt]
\centering
\caption{Ispra sodium benchmark forward flux extremal and average relative
differences.}
\label{eurac-fwd-diff-table}
\begin{tabular}{l|ccc}
\textbf{Comparison} & \textbf{Min. Diff.} & \textbf{Max. Diff.} & \textbf{Avg. Diff.}
\\ \hline
LDO/QR & 2\E{-6} & 2.78\E{1} & 5.00\E{-1} \rule{0pt}{2.6ex} \\
LDO/Galerkin & 8\E{-6} & 2.38\E{4} & 6.57\E{1} \\
LDO/LDFE & 1\E{-6} & 7.75\E{0} & 2.61\E{-1} \\
Galerkin/QR & 3\E{-6} & 1.16\E{0} & 4.24\E{-1} \\
LDFE/QR & 7\E{-6} & 2.29\E{1} & 7.59\E{-1}
\end{tabular}
\end{table}
For all of the detector locations, we see in Table \ref{eurac-fwd-det} that the
activity calculated with the representative LDO quadrature set demonstrates good
agreement with the QR quadrature set. The LDO results in this table match the QR
results more closely than do the Galerkin and LDFE results and, of the standard
quadrature set results, the LDO results are closest to QR results. We find the LDO
results' proximity to the QR results sufficient justification to pursue the
exploration of Monte Carlo variance reduction parameter generation using the LDO
equations for this test case.
\clearpage
\begin{figure}[!htb]
\begin{subfigure}{\textwidth}
\centering
\includegraphics[max height=0.445\textheight]
{img/eurac-plots/fwd/flux-qr04-slice.eps}
\subcaption{QR forward flux slice.}
\end{subfigure}
\\
\begin{subfigure}{\textwidth}
\centering
\includegraphics[max height=0.445\textheight]
{img/eurac-plots/fwd/flux-gkn04-slice.eps}
\subcaption{Galerkin forward flux slice.}
\end{subfigure}
\end{figure}
\clearpage
\begin{figure}[!htb]
\ContinuedFloat
\begin{subfigure}{\textwidth}
\centering
\includegraphics[max height=0.445\textheight]
{img/eurac-plots/fwd/flux-ldfe01-slice.eps}
\subcaption{LDFE forward flux slice.}
\end{subfigure}
\begin{subfigure}{\textwidth}
\centering
\includegraphics[max height=0.445\textheight]
{img/eurac-plots/fwd/flux-ldo09-slice.eps}
\subcaption{LDO forward flux slice.}
\end{subfigure}
\caption{Ispra sodium benchmark forward scalar flux slices.}
\label{eurac-fwd-slices}
\end{figure}
\clearpage
\begin{figure}[!htb]
\begin{subfigure}{\textwidth}
\centering
\includegraphics[max height=0.445\textheight]
{img/eurac-plots/fwd/flux-diff-rel-qr04.eps}
\subcaption{LDO/QR flux relative difference.}
\end{subfigure}
\\
\begin{subfigure}{\textwidth}
\centering
\includegraphics[max height=0.445\textheight]
{img/eurac-plots/fwd/flux-diff-rel-gkn04.eps}
\subcaption{LDO/Galerkin flux relative difference.}
\end{subfigure}
\end{figure}
\clearpage
\begin{figure}[!htb]
\ContinuedFloat
\begin{subfigure}{\textwidth}
\centering
\includegraphics[max height=0.445\textheight]
{img/eurac-plots/fwd/flux-diff-rel-ldfe01.eps}
\subcaption{LDO/LDFE flux relative difference.}
\end{subfigure}
\caption{Ispra sodium benchmark forward scalar flux relative difference slices.}
\label{eurac-fwd-diff-rel}
\end{figure}
\FloatBarrier
\subsection{Simplified Portal Monitor}
Lastly, we look at the simplified portal monitor problem with the small photon source.
Of the test cases presented here, the forward solutions differ most greatly for this
problem. Figure \ref{cargo-fwd-slices} shows forward scalar flux solutions for the
representative quadrature sets with the material pallets, detector array, and shipping
container outlines overlaid on the plots. Flux slices are plotted at the midplane of
$z = 243.84$ cm (96 inches). All of the flux solutions display ray
effects as a result of the streaming paths created by the material variation of the
pallets inside of the shipping container.
As with the previous test cases, we look at the differences between the
representative LDO flux and the three other quadrature types. Figure
\ref{cargo-fwd-diff-rel} shows flux differences similar to the difference plots for
the Ispra sodium benchmark problem; that is, the differences largely appear as ray
effects. This is unsurprising given the combination of the small volume of the photon
source in the problem and the inherent difficulty of accurately simulating particle
streaming in deterministic calculations. Again we see that the LDO scalar flux
solution exhibits strong disagreement with the Galerkin scalar flux solution. The
LDO/QR and LDO/LDFE comparison plots show discrepancies of similar orders of
magnitude and all of the relative difference plots exhibit the greatest difference
along the $y-z$ plane streaming pathway located in the center of the shipping
container.
Table \ref{cargo-fwd-diff-table} lists the minimum, maximum, and average values of
the relative differences in the forward scalar flux solutions, shown in Figure
\ref{cargo-fwd-diff-rel}. As with all of the previous cases, comparisons between the
QR flux solution and the Galerkin and LDFE flux solutions are included for reference.
None of the flux solutions in this case show particularly good agreement on average;
the closest solutions are the LDFE and QR flux solutions which have an average
difference of about 24\%. Of the three standard quadrature types, the LDO forward flux
solution matches the QR forward flux solution most closely.
\begin{table}[!hbt]
\centering
\caption{Portal monitor forward scalar flux extremal and average relative
differences.}
\label{cargo-fwd-diff-table}
\begin{tabular}{l|ccc}
\textbf{Comparison} & \textbf{Min. Diff.} & \textbf{Max. Diff.} & \textbf{Avg. Diff.}
\\ \hline
LDO/QR & 1\E{-6} & 1.43\E{2} & 3.07\E{-1}
\rule{0pt}{2.6ex} \\
LDO/Galerkin & 7\E{-5} & 1.22\E{2} & 1.96\E{0} \\
LDO/LDFE & 6\E{-5} & 1.53\E{2} & 3.33\E{-1} \\
Galerkin/QR & 4\E{-5} & 2.47\E{0} & 3.93\E{-1} \\
LDFE/QR & 2\E{-5} & 2.09\E{0} & 2.38\E{-1}
\end{tabular}
\end{table}
Given the localized small volumetric particle source used in the problem in
combination with the streaming pathways created by the scenario's material and
geometry configuration, it is unsurprising that the forward flux solutions generated
with the various representative quadrature sets show only fair agreement. Still, in
the interest of exploring the LDO quadratures' solutions for Monte Carlo variance
reduction parameter generation for this problem transporting photons, we will compare
the results of the different quadrature sets in the CADIS and \fwc\ contexts.
\clearpage
\begin{figure}[!htb]
\begin{subfigure}{\textwidth}
\centering
\includegraphics[max height=0.445\textheight]
{img/cargo-plots/fwd/flux-qr04-slice.eps}
\subcaption{QR forward flux slice.}
\end{subfigure}
\\
\begin{subfigure}{\textwidth}
\centering
\includegraphics[max height=0.445\textheight]
{img/cargo-plots/fwd/flux-gkn04-slice.eps}
\subcaption{Galerkin forward flux slice.}
\end{subfigure}
\end{figure}
\clearpage
\begin{figure}[!htb]
\ContinuedFloat
\begin{subfigure}{\textwidth}
\centering
\includegraphics[max height=0.445\textheight]
{img/cargo-plots/fwd/flux-ldfe01-slice.eps}
\subcaption{LDFE forward flux slice.}
\end{subfigure}
\\
\begin{subfigure}{\textwidth}
\centering
\includegraphics[max height=0.445\textheight]
{img/cargo-plots/fwd/flux-ldo11-slice.eps}
\subcaption{LDO forward flux slice.}
\end{subfigure}
\caption{Simplified portal monitor scenario forward scalar flux slices.}
\label{cargo-fwd-slices}
\end{figure}
\clearpage
\begin{figure}[!htb]
\begin{subfigure}{\textwidth}
\centering
\includegraphics[max height=0.445\textheight]
{img/cargo-plots/fwd/flux-diff-rel-qr04.eps}
\subcaption{LDO/QR flux relative difference.}
\end{subfigure}
\\
\begin{subfigure}{\textwidth}
\centering
\includegraphics[max height=0.445\textheight]
{img/cargo-plots/fwd/flux-diff-rel-gkn04.eps}
\subcaption{LDO/Galerkin flux relative difference.}
\end{subfigure}
\end{figure}
\clearpage
\begin{figure}[!htb]
\ContinuedFloat
\begin{subfigure}{\textwidth}
\centering
\includegraphics[max height=0.445\textheight]
{img/cargo-plots/fwd/flux-diff-rel-ldfe01.eps}
\subcaption{LDO/LDFE flux relative difference.}
\end{subfigure}
\caption{Simplified portal monitor scenario forward scalar flux relative difference
slices.}
\label{cargo-fwd-diff-rel}
\end{figure}
\FloatBarrier
\subsection{Summary}
For the test cases here, we have compared the forward scalar flux solutions resultant
from solving the LDO equations against those arising from solving the traditional
discrete ordinates equations with a small variety of standard quadrature set types.
Particular attention was paid to the comparison of the LDO results with the QR
results, as QR quadrature sets are commonly used in Monte Carlo variance reduction
parameter generation and the larger goal of this work is to assess the efficacy of the
LDO equations' solutions in Monte Carlo variance reduction parameter generation. In
each test case, the results from solving the LDO equations best matched those from
using the QR quadrature set in the traditional discrete ordinates formulation.
Additionally, for the two benchmark test cases, the LDO equations produced results
that were commensurate to those of all standard quadrature sets when the deterministic
results were compared against experimental values.
\FloatBarrier
\section{CADIS Calculations}
\label{sec:cad}
Having found that the LDO equations' forward scalar flux solutions are comparable to
those of standard quadrature sets, we move on to test the various quadrature sets'
performance for Monte Carlo variance reduction parameter generation. We begin by