Nuclear Engineering and Design 311 (2017) 199–212

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Nuclear Engineering and Design

journal homepage: www.elsevier.com/locate/nucengdes

Optimization of plutonium and minor actinide transmutation in an

AP1000 fuel assembly via a genetic search algorithm
J. Washington, J. King ⇑
Nuclear Science and Engineering Program, Colorado School of Mines, 1500 Illinois St., Golden, CO 80401, USA

h i g h l i g h t s g r a p h i c a l a b s t r a c t

We model a modified AP1000 fuel

assembly in SCALE6.1.

We couple the NEWT module of
SCALE to the MOGA module of
DAKOTA.

Transmutation is optimized based on
choice of coating and fuel.

Greatest transmutation achieved with
PuZrO2MgO fuel pins coated with
Lu2O3.

a r t i c l e i n f o a b s t r a c t

Article history: The average nuclear power plant produces twenty metric tons of used nuclear fuel per year, which con-
Received 21 May 2016 tains approximately 95 wt% uranium, 1 wt% plutonium, and 4 wt% fission products and transuranic ele-
Received in revised form 23 November 2016 ments. Fast reactors are the preferred option for the transmutation of plutonium and minor actinides;
Accepted 28 November 2016
however, an optimistic deployment time of at least 20 years indicates a need for a near-term solution.
Available online 18 December 2016
Previous simulation work demonstrated the potential to transmute transuranic elements in a modified
light water reactor fuel pin. This study optimizes a quarter-assembly containing target fuels coated with
spectral shift absorbers for the transmutation of plutonium and minor actinides in light water reactors.
The spectral shift absorber coating on the target fuel pin tunes the neutron energy spectrum experienced
by the target fuel. A coupled model developed using the NEWT module from SCALE 6.1 and a genetic
algorithm module from the DAKOTA optimization toolbox provided performance data for the burnup
of the target fuel pins in the present study. The optimization with the coupled NEWT/DAKOTA model pro-
ceeded in three stages. The first stage optimized a single-target fuel pin per quarter-assembly adjacent to
the central instrumentation channel. The second stage evaluated a variety of quarter-assemblies with
multiple target fuel pins from the first stage and the third stage re-optimized the pins in the optimal sec-
ond stage quarter-assembly. An 8 wt% PuZrO2MgO inert matrix fuel pin with a 1.44 mm radius and a
0.06 mm Lu2O3 coating in a five target fuel pin per quarter-assembly configuration represents the optimal
combination for the transmutation of plutonium and minor actinides in the LWR environment considered
in this study.
Ó 2016 Elsevier B.V. All rights reserved.

1. Introduction

An average Light Water Reactor (LWR) nuclear power plant pro-

duces 20 metric tons of used nuclear fuel per year (Department of
⇑ Corresponding author.
Energy, 2002). This used fuel consists of approximately 95 wt% ura-
E-mail addresses: jwashing@gmail.com (J. Washington), kingjc@mines.edu
(J. King). nium, 1 wt% plutonium, and 4 wt% fission products and other

http://dx.doi.org/10.1016/j.nucengdes.2016.11.030
0029-5493/Ó 2016 Elsevier B.V. All rights reserved.
200 J. Washington, J. King / Nuclear Engineering and Design 311 (2017) 199–212
transuranic elements (Department of Energy, 2002). The majority
of the residual heat produced by used fuel in the first 100 years
of storage originates from the radioactive decay of the fission prod-
ucts. After 100 years, the transuranic elements are responsible for
the majority of the heat production. This decay heat must be con-
sidered in the design of both short and long-term storage facilities
(Wigeland et al., 2006). The design basis lifetime of such facilities
could be greatly reduced if the actinide components of used fuel
did not require long-term storage or disposal (Wigeland et al.,
2006). The separation of plutonium from used fuel reduces the
repository heat load and provides an additional source of fissile
and fertile materials to the nuclear fuel cycle.
Fast reactors are generally preferred for the destruction of plu-
tonium and minor actinides; however, an optimistic deployment
time of at least 20 years for these reactors creates a need for
nearer-term solutions (Salvatores and Palmiotti, 2011). As an
interim solution, various studies have assessed the feasibility of
plutonium and minor actinide transmutation in existing LWRs in
order to reduce the stockpile of these materials (Salvatores and
Palmiotti, 2011; Washington et al., 2017). Previous work has incor-
porated plutonium, both with and without minor actinides, into
reactors as a target fuel pin (see Section 2.1). Other options include
full assemblies of target fuel pins or whole reactors fueled with
innovative fuel types, such as plutonium zirconium hydride with
thorium hydride or plutonium hydrides with uranium hydrides
in a zirconium matrix.
The objective of this study is to optimize a fuel assembly for the
purposes of plutonium and minor actinide transmutation in exist-
ing LWRs. Maximizing the destruction of the fissile plutonium iso-
topes is as important as minimizing the end-of-life concentrations
of the minor actinides. A spectral shift absorber applied to the
outer diameter of plutonium fuel can improve the plutonium, nep-
tunium, americium, and curium transmutation performance. A
spectral shift absorber is a material that absorbs neutrons of a
specific energy window thereby adjusting the overall neutron
energy spectrum seen by the material shielded with the spectral
shift absorber, in this case a target fuel. Spectral shift absorbers
may be used to shift the effective neutron energy spectrum of a
reactor core by increasing the absorption of neutrons in a certain
energy range, at the penalty of decreasing the overall flux
(Duderstadt and Hamilton, 1976).
Determining the optimal fuel, spectral shift absorber coating,
and assembly geometry for a LWR transmutation scheme is a
challenging design problem. A genetic search algorithm can eval-
uate a large variety of possible design parameters to determine a
solution that maximizes plutonium transmutation and minimizes
minor actinide production. A previous study recommended a set
of transmutation target fuels and spectral shift absorbers for
use in a modified AP1000 fuel assembly (Washington et al.,
2017). As a learning program, the selected genetic algorithm is
able to determine global and local solutions to the design
problem that may have been overlooked by previous manual
optimizations.
2. Background
This section provides background information on the use of
transmutation fuels and the use of genetic search algorithms for
nuclear reactor core design. A previous paper selected the trans-
mutation fuels for their overall performance in plutonium and
minor actinide transmutation (Washington et al., 2017). These
fuels are coated with spectral shift absorbers to increase the rela-
tive fast flux in the target fuels to mimic a fast reactor
environment.
2.1. Transmutation fuels
The use of plutonium fuel in light water reactors may be consid-
ered as a partial solution for used nuclear fuel disposition and the
use of plutonium as a fuel in a nuclear reactor is an alternative to
vitrification and disposal (Galperin, 1995). Currently, only Mixed
Oxide fuel (MOX) makes use of plutonium as a component of trans-
mutation fuel in LWRs (Galperin, 1995). Plutonium may be
retrieved from used nuclear fuel through a standard PUREX repro-
cessing method which can separate uranium and plutonium from
used fuel and provides the source material for recycled or transmu-
tation fuel (Özdemir et al., 2011). Though MOX fuel has been
approved for use in several PWR reactors in the United States, it
is currently only routinely used in reactors in other countries such
as France and Japan (Trellue, 2006).
A previous study evaluated sixteen different target fuels, both
with and without initial minor actinides, in a Westinghouse
AP1000 XL Robust Fuel Assembly (Washington et al., 2017). The
sixteen target fuels were evaluated over a 1400 Effective Full
Power Day (EFPD) depletion period to contrast their relative rates
of plutonium transmutation, curium production, and total minor
actinide transmutation. Though some of these fuels had been pre-
viously evaluated for their transmutation performance, no single
study had evaluated more than three different transmutation fuels.
These transmutation fuels all contained plutonium, though some
studies included an initial quantity of minor actinides. The target
fuels were evaluated both with and without minor actinides to
determine how the addition of these materials changed the overall
plutonium transmutation properties of the fuels. The transmuta-
tion fuels were then considered with coatings of various spectral
shift absorbers to determine which coating provided the greatest
improvement in overall transmutation performance.
The three fuels evaluated in the present study, 5 wt% MOX
(MOX (5% PuO2)), plutonium 60 wt% thorium zirconium hydride
(Pu0.31ZrH1.6Th1.08), and 8 wt% plutonium magnesium oxide inert
matrix (PuZrO2MgO), are selected from the previous study
(Washington et al., 2017). The inert matrix fuels (Pu0.31ZrH1.6Th1.08
and PuZrO2MgO) are fueled with plutonium and minor actinides
(americium, neptunium, and curium). The 5 wt% MOX fuel was
selected for its transmutation performance and its commonality
with fuels currently in use. The 60 wt% thorium hydride fuel
achieved the greatest quantity of transmutation of the potential
thorium hydride fuels and also broadens the variety of fuels eval-
uated. The 8 wt% PuZrO2MgO fuel resulted in the greatest quantity
of plutonium and minor actinide transmutation of the fuels evalu-
ated in the previous study.
Previous studies evaluated eleven different burnable absorbers
as spectral shift absorber coatings (Washington et al., 2014,
2017). Previous work (Washington et al., 2014) incorporated the
eleven different potential spectral shift absorbers as a layer in
modified TRISO fuel particles to act as burnable absorbers to
reduce initial excess reactivity in a very high temperature reactor.
The requirements for melting temperature, natural abundance of
absorbing isotope, and extended decay time still apply to this
study even though the initial evaluation occurred in a different
reactor environment. The present study considers four of these
spectral shift absorbing materials, Gd2O3, In2O3, Lu2O3, and
Sm2O3 (Table 2.1). A previous study (Washington et al., 2017)
achieved the highest rate of plutonium transmutation with the
lowest production of curium-244 using these four spectral shift
absorbers.
2.2. Optimization and genetic algorithms
Design problems, especially models of complex systems, gener-
ally consider more than a single measure of performance (Eddy
 J. Washington, J. King / Nuclear Engineering and Design 311 (2017) 199–212
and Lewis, 2001). These objectives may compete, such that an
improvement in one objective comes at the expense of another
(Eddy and Lewis, 2001). In a problem with two or more objectives,
at least two of which compete, there is typically no single optimal
design but rather, a range of designs which satisfy the design crite-
ria (Baraldi et al., 2009; Eddy and Lewis, 2001). These non-
dominated solutions are referred to as a Pareto set and the range
of options in the set are called Pareto optimal solutions (Eddy
and Lewis, 2001). The Pareto set consists of all the solutions to a
given problem that satisfy the optimization conditions. Solutions
to the optimization conditions which cannot be improved upon,
lying along the Pareto frontier, are considered Pareto optimal solu-
tions. The Pareto set may contain a significant number of Pareto
optimal solutions, along with a number of dominant solutions
which must be evaluated and sorted (Eddy and Lewis, 2001). One
efficient way to generate a fully populated Pareto set is the use
of a Multi-Objective function Genetic search Algorithm (MOGA)
(Baraldi et al., 2009; Eddy and Lewis, 2001). A genetic algorithm
determines an optimal solution set by emulating the process living
creatures use to evolve (Aghaie et al., 2013; Gen et al., 2008).
Genetic algorithms do not need to consider the gradient informa-
tion which many other optimization methods require (Eddy and
Lewis, 2001; Jiejuan et al., 2004). This capability makes it possible
for the genetic search algorithm to avoid being trapped in locally
optimal solutions by high gradient functions (Eddy and Lewis,
2001; Jiejuan et al., 2004).
A genetic algorithm usually follows a consistent process regard-
less of the design or structure of the program (Eddy and Lewis,
2001; Pereira and Sacco, 2008). The process has five basic compo-
nents: a representation of the problem, a way to create an initial
population, the ability to evaluate the fitness of potential solutions,
a method to alter the offspring, and the parameters which govern
the genetic algorithm (Gen et al., 2008; Pereira and Sacco, 2008).
The first step of a genetic search algorithm is to determine, or be
given, an initial population with design variable values between
the design variable boundaries (Eddy and Lewis, 2001; Pereira
and Lapa, 2003). These initial designs, if they are randomly gener-
ated, may be tested against the other initial designs to eliminate
any duplicates among the initial population to ensure a greater
diversity of potential solutions (Adams et al., 2013; Eddy and
Lewis, 2001). This clone detection is useful for several reasons: it
avoids multiple evaluations of the same solution, it encourages
population of the solution space, the lack of duplicate solutions
saves on storage and, lastly, it helps to avoid incorrect convergence
on a locally optimal solution (Adams et al., 2013; Eddy and Lewis,
2001).
Once a population is determined, each solution is tested against
a fitness function (Aghaie et al., 2013; Eddy and Lewis, 2001). The
fitness of a population member is determined by its objective func-
tion (or functions) (Aghaie et al., 2013; Gen et al., 2008). The objec-
tive functions evaluate the fitness of each individual, but may vary
in range over different problem spaces and are usually normalized
from zero to one for consistency (Gen et al., 2008). Fitness func-
tions contain constraints which are computed for each
solution and penalize infeasible solutions during the selection
Table 2.1
Spectral shift absorbers considered in the present study.
Absorber Density (g/cm3) @ 1200 K Melting point (K)
Gd2O3 7.35 2612a
In2O3 7.12 2185a
Lu2O3 9.34 2700a
Sm2O3 7.54 2542a
a
Lide (2009).
b
Dunford and Kinsey (1998).
201
and replacement portion of the algorithm (Eddy and Lewis,
2001). The population is then sorted into a data set (mating pool)
where solutions with a higher objective function evaluation are
represented more times than the solutions with a lower objective
function evaluation (Adams et al., 2013; Eddy and Lewis, 2001).
In order to ensure diversity of the solutions, the mating pool does
not exclude solutions and each feasible solution is given an equal
chance of reproduction (Eddy and Lewis, 2001). The individual
solutions are chosen at random and matched based on the user
determined population size, the number of children per crossover,
and the crossover rate (Adams et al., 2013; Eddy and Lewis, 2001).
Three genetic operators (crossover, mutation and selection) are
the primary exploration mechanisms in the search algorithm (Gen
et al., 2008; Pereira and Sacco, 2008). Crossover may take place in a
number of ways and generally swaps one solution parameter with
another from a different parent solution to produce the offspring
solutions (Adams et al., 2013; Aghaie et al., 2013). The solutions
which are selected for crossover are called a mating pair and pro-
duce offspring or children (Eddy and Lewis, 2001). Crossover emu-
lates the exchanged of genetic material between parents to
produce offspring.
The children from the crossover are then subjected to a muta-
tion step (Eddy and Lewis, 2001; Pereira and Sacco, 2008). The
mutation operator produces random or semi-random (a random
event that can be recreated given an initial seed) changes in the
existing population (Baraldi et al., 2009; Gen et al., 2008). The
mutation encourages the exploration of the problem space, intro-
duces new genes which were not present in the initial population,
and re-introduces genes which were previously lost by the popula-
tion for evaluation in a new configuration (Gen et al., 2008;
Norouzi et al., 2011; Pereira and Sacco, 2008).
Selection is the final stage of the exploration step of the genetic
search algorithm (Gen et al., 2008; Pereira and Lapa, 2003). After
the offspring have been produced by the crossover and mutation
operators they are evaluated against the fitness function and sub-
jected to a selection operator to determine the offspring which are
allowed to reproduce (Gen et al., 2008; Pereira and Lapa, 2003).
The pressure applied by the selection operator is generally low
during the beginning of the genetic search, to encourage explo-
ration, and increases as the search progresses to narrow in on an
optimal solution (Gen et al., 2008; Pereira and Sacco, 2008).
2.3. Genetic algorithms applied to nuclear systems
Genetic search algorithms have been used to devise fuel loading
patterns for nuclear power reactors, as the usual computational
methods for determining a core loading pattern may take weeks
to find a satisfactory arrangement of new and used fuel assemblies
(Zhao et al., 1998). The potential number of loading patterns for a
PWR, considering one-eighth symmetry, is in the range of 1026
(Alim et al., 2008). Fuel loading parameters include the arrange-
ment of fresh fuel, the arrangement of the used fuel, and then
the placement of burnable absorbers into fresh fuel locations to
lower the power peaking in regions where it exceeds the limiting
values (Yilmaz et al., 2006a). The multi-objective potential of
Isotope of interest Absorption cross-section ra (barns) Resonance integral (barns)
157
Gd 254,000b 700b
115
In 215b 3300b
176
Lu 2090b 1087b
149
Sm 40,140b 3390b
202 J. Washington, J. King / Nuclear Engineering and Design 311 (2017) 199–212
genetic algorithms is well-suited for this problem (Zhao et al.,
1998). Objectives used in the determination of a Pareto set for fuel
loading include cycle length, neutron leakage, burnup, and power
peaking (Norouzi et al., 2011; Zhao et al., 1998). Since reactor cores
are generally symmetric, various slices, from one-half to one-
eighth of a reactor core, may be used in the search algorithm to
decrease computational time (Norouzi et al., 2011; Zhao et al.,
1998). One test case, with one-sixth symmetry, produced Pareto
optimal solutions within 20 generations with a computational time
of two hours; however, the problem was only optimized based on
power peaking with the given assemblies (Norouzi et al., 2011).
The use of a genetic search algorithm may also be applied to the
placement of burnable absorbers in a nuclear reactor core (Alim
et al., 2008). In one study, the number and concentration of the
burnable absorber pins in a reactor core were determined by a
genetic algorithm, which could be done in conjunction with the
determination of the fuel loading pattern or conducted as a sepa-
rate search (Alim et al., 2008). Core loading patterns tend to be lim-
ited by a smaller number of potential burnable absorber loading
options which have been predetermined by the reactor design
(Yilmaz et al., 2006a). The genetic search expanded the potential
placement schemes and therefore the allowable fuel loading pat-
terns (Yilmaz et al., 2006a). The use of genetic algorithms may be
treated as a black box approach by the user when additional crite-
ria are applied to the fitness functions to generalize the search
options (Yilmaz et al., 2006a).
Yilmaz et al. (2006b) evaluated a burnable absorber scheme for
pressurized water reactors with fuel assemblies containing three
different gadolinia (Gd2O3) enrichments (100 wt% enriched
gadolinium-155, 100 wt% enriched gadolinium-157, and 70 wt%
enriched gadolinium-157 with 30 wt% gadolinium-155). The
15  15 fuel assembly in this evaluation contained a mixture of
UO2 fuel and Gd2O3 absorber pins. A genetic algorithm evaluated
various placement schemes to optimize the quantity of burnable
absorber in the reactor (Yilmaz et al., 2006b). The genetic algo-
rithm produced a geometry which resulted in a reduction of the
required gadolinium mass from 31.1 kg to 2.7 kg in the 100 wt%
enriched gadolinium-155 case (Yilmaz et al., 2006b).
Generally, previous studies on the optimization of nuclear reac-
tor cores developed individually tailored genetic algorithms to
determine the Pareto optimal solutions (Alim et al., 2008;
Norouzi et al., 2011; Yilmaz et al., 2006a). Each tailored program
contained the standard genetic algorithm components, such as
crossover and mutation, arranged with various start and stop con-
ditions to quickly terminate infeasible designs in order to reduce
computational time (Alim et al., 2008; Norouzi et al., 2011;
Yilmaz et al., 2006a). In the present study, a coupled nuclear reac-
tor simulation code and a genetic search algorithm optimized the
reactor assembly geometry for the transmutation of plutonium
and minor actinides. This automated method explored the signifi-
cant problem space represented in the number of spectral shift
absorbers, target fuel types, possible assembly configurations,
and potential target fuel pin geometries.
3. Computational models
For this study, a coupled neutronics model (NEWT) (Oak Ridge
National Laboratory, 2011) and genetic search algorithm (DAKOTA)
(Adams et al., 2013) determined configurations of target fuels,
spectral shift absorbers, and positions of the target fuel pins for
optimal transmutation performance in an AP1000 Robust Fuel
assembly. The two codes are coupled through a PERL script that
extracts the burnup data from the neutronics model and feeds this
information to the genetic algorithm. The algorithm takes the bur-
nup results and contrasts each burnup run to determine the total
plutonium and minor actinide transmutation, as well as the bur-
nup lifetime of the assembly. The script then feeds the target fuel
pin designs back to the neutronics code for further evaluation.
A model developed using the NEWT module of the SCALE 6.1
code using the ENDF/B-VII.0 cross-section libraries provided per-
formance data for the burnup of the target fuel pins in the present
study (Chadwick et al., 2006; Oak Ridge National Laboratory,
2011). The NEWT model is a two-dimensional, discrete-ordinate,
reflected model using 16th order symmetric quadrature. The
model used a coarse mesh of 34 by 34 cells for the overall
quarter-assembly, with target fuel pin meshes of 20 by 20 for each
target fuel pin. Each cell is further overlaid with a four by four
mesh, which may be condensed by SCALE if adjacent cells are
indistinguishable from each other. The driver fuel pins each con-
tain 3 weight percent (wt%) enriched uranium dioxide fuel
(Schulz, 2006; Westinghouse Electric Corp et al., 1992). The NEWT
sequence employed the prepackaged 238 group ENDF/B-VII.0
cross-section library with reflective quarter-assembly boundary
conditions. The burnup model is simulated over 1400 EFPD, assum-
ing a total assembly power of 21.66 MWth based on an even distri-
bution of 3400 MWth across the 157 fuel assemblies of an AP1000
(Schulz, 2006). The target fuels, uranium fuel pins, and the spectral
shift absorbers are depleted during the burnup simulation.
Table 3.1 lists the dimensions of the fuel assembly and compo-
nents included in the model shown in Fig. 3.1. The radius of the
fuel pellets was 0.410 cm with a gap thickness of 0.017 cm, a ZIR-
LOTM cladding thickness of 0.057 cm, and a fuel pin pitch of
1.260 cm (Schulz, 2006). A standard 17  17 Extra-Large (XL)
Robust Fuel Assembly is 21.417 cm on a side and contains 264 fuel
pins with 24 control pin channels and one central instrumentation
channel (Schulz, 2006). The calculations in this study consider one
quarter of an assembly to reduce the computational time required
for convergence.
A fraction of the plutonium in the minor actinide bearing fuels
is replaced by a mixture of minor actinides (americium, curium,
and neptunium), based on isotope ratios determined for an average
PWR fuel assembly with a burnup of 41,200 MWd/MTHM at
3.75 wt% enrichment after 23 years of decay (Department of
Energy, 2002). Table 3.2 shows the composition of the minor acti-
nide containing target fuels used in this study and Table 3.3 shows
the initial isotope concentrations assumed in the reprocessed plu-
tonium used in the target fuels.
The four spectral shift absorbers used in this study are shown in
Table 2.1 along with their densities, melting points, and con-
stituent isotopes with the highest cross-section or resonance inte-
gral. The genetic search algorithm varied the position and number
of target fuel pins as well as the internal geometry of the target fuel
pins, including fuel pellet diameter and absorber coating thickness.
Table 3.1
AP1000 Robust fuel assembly parameters used in the present study (Schulz, 2006).
Component Parameter Composition (wt%) Density
Fuel pellet 0.410 cm 3 wt% enriched 10.96 g/cm3
radius uranium oxide
Gap thickness 0.017 cm Vacuum 0 g/cm3
radius
Clad thickness 0.057 cm 1.25 wt% Nb, 1.1 wt% Sn, 6.56 g/cm3
radius 0.105 wt% Fe,
0.055 wt% Ni
0.055 wt% Cr, 0.00022
wt% C, 97.43478 wt% Zr
Fuel pin pitch 1.260 cm
Assembly pitch 21.417 cm
Assembly 21.66 MW
thermal
power
 J. Washington, J. King / Nuclear Engineering and Design 311 (2017) 199–212 203

Fig. 3.1. NEWT quarter-assembly model.

The gap and cladding thickness of the modified AP1000 fuel pins
were held constant, although the outer diameter of the modified
fuel pins was allowed to change based on the dimensions of the
internal components. To reduce the computational overhead, the
simulations were performed in three stages (described in Section 4)
using the Multi-Objective Genetic Algorithm (MOGA) module from
DAKOTA (Adams et al., 2013). The algorithm produced 600 off-
spring from an initial population of 50 for 12 generations per opti-
mization stage. The NEWT model evaluated each parent and
offspring using the previously listed model parameters. Setting
the mutation and crossover rates of the MOGA package to 95% of
their maximum value encouraged rapid diversification in the pop-
ulation and ensured a complete evaluation of the problem space.
The DAKOTA optimizations included the three objective func-
tions shown in Table 4.1. The first objective function, the EFPD pen-
alty, considers how long the quarter-assembly remained critical.
The second objective function compares the initial and final quan-
tities of fissile plutonium. The final objective function considers the
initial and final quantities of minor actinides. The final two objec-
tive functions are normalized to the initial mass of the transmuta-
tion fuel in the target fuel pins to ensure that the comparison
between two quarter-assemblies with different quantities of target
fuel was meaningful. The optimal values of all three objective func-
tions are zero.
4. Optimization results
Performing the optimization in three stages further reduced the
computational time. The first stage adjusted the geometry of a sin-
gle target fuel pin in the quarter-assembly. Based on the pin from
Table 3.3
Reprocessed plutonium composition used in this study.
Isotope Weight percent
Plutonium-238 2.37
Plutonium-239 61.38
Plutonium-240 25.97
Plutonium-241 4.81
Plutonium-242 5.47
the first stage, the second stage varied the number of target fuel
pins and their location within the quarter-assembly to achieve an
optimum target arrangement. Based on this arrangement, the final
stage re-optimized the geometry of the target fuel pins.
4.1. First stage optimization
The first stage optimization considered a single pin located
adjacent to the central instrumentation channel in each quarter-
assembly. Scoping evaluations using the combined DAKOTA and
NEWT codes, considering multiple fuel and spectral shift absorber
configurations, indicated that this position (see Fig. 4.1) has a high
potential for successful transmutation. This position is also adja-
cent to the central instrumentation channel, close to where the
previous study evaluated the target fuels and spectral shift absor-
bers (Washington et al., 2017). The selected position provided ini-
tial results similar to those of the previous study, confirming that
the combined model yields reproducible results.
The diameter of the target fuel pellet and the thickness of the
spectral shift absorber coating varied greatly throughout the simu-

Table 3.2
Target fuel composition with minor actinides at beginning of lifetime.

Constituents (wt%)
Fueld 232
Th Uc Pu 241
Am 243
Am 244
Cm 237
Np O Zr H Y/Mg
MOX (5% PuO2)a,c 0.00 83.72 3.73 0.37 0.06 0.01 0.27 11.86 0.00 0.00 0.00
Pu0.31ZrH1.6Th1.08b 59.97 0.00 14.98 1.48 0.22 0.04 1.06 0.00 21.83 0.39 0.00
PuZrO2MgO (8%) 0.00 0.00 6.73 0.66 0.10 0.02 0.48 28.93 40.87 0.00 22.19

All O, Mg, Zr, H, and Th elements are in their naturally occurring state.
a
MOX properties are from Trellue (2006).
b
Zirconium hydride compositions are from Olander et al. (2009).
c
Uranium is natural uranium without enrichment or depletion.
d
Plutonium concentrations shown in Table 3.3.
204 J. Washington, J. King / Nuclear Engineering and Design 311 (2017) 199–212
Table 4.1
Objective functions used in the present genetic algorithm.
Objective function
1 1400-Effective full power days
2 (Pu-239f + Pu-241f)/(Pu-239i + Pu-241i)
3 (Np-237f + Cm-242f + Cm-243f + Cm-244f + Am-241f + Am-243f)/(Np-
237i + Cm-242i + Cm-243i + Cm-244i + Am-241i + Am-243i)
Isotopei = Mass of isotope at beginning of life.
Isotopef = Mass of isotope at end of life.
lations, in order to fully explore the problem space. Fig. 4.1 displays
an example of one of the ways the coupled NEWT/DAKOTA code
varied the target fuel pin geometry. In many cases throughout
the instances of the optimization model, the spectral shift absorber
coating was too thick, reducing the overall lifetime of the quarter-
assembly by the absorption of a significant quantity of the neu-
trons in the reactor. These cases are rated as less competitive by
the first objective function. The cases with a thick target fuel pellet
and thin spectral shift absorber coating provided a higher quantity
of initial reactivity, but were generally rated lower by the second
objective function as they ended the quarter-assembly life cycle
with a higher quantity of plutonium than the thinner target fuel
pellets. Thinner target fuel pellets work well due to the relative
reduction in self-shielding, allowing a higher percentage of minor
actinide transmutation than thicker target fuel pellets with a
higher rate of self-shielding. Thin geometries result in both less
plutonium at end of life as well as better minor actinide transmu-
tation rates. Consequently, the genetic algorithm’s optimization
functions rate these configurations as more effective.
Fig. 4.1. Optimization of one pin in a quarter-assembly configuration.
Table 4.2 lists the five near optimal designs produced by the
combined SCALE and DAKOTA setup in the first optimization stage.
The top five designs in this stage all have the same spectral shift
absorber and target fuel type. Table 4.3 shows the distribution of
the target fuels and spectral shift absorbers during this optimiza-
tion stage. The lutetium oxide coating around the inert matrix fuel
is the most commonly selected combination. The near optimal
designs resulted in a minimum plutonium decrease of 88 wt%
and reduced the initial minor actinide content of the target fuel
by 48 wt% or more. Each of these simulated fuel quarter-
assemblies achieved a full 1400 EFPD lifetime, minimizing the
operational lifetime penalty from the parasitic neutron absorbers
in the target fuel pin.
4.2. Second stage optimization
The second optimization stage increased the quantity of target
fuel pins and allowed for different target positions within a
quarter-assembly. This stage tested if variations in the position of
the target fuel pins improved the transmutation performance of
the quarter-assembly. This stage of the optimization fixed the tar-
get fuel pin geometry, based on the first stage pin with the lowest
score for Objective Function 3 (Case 5 in Table 4.2), and optimized
the number and positions of these pins within the quarter-
assembly. The majority of the possible configurations in this stage
result in quarter-assemblies that do not produce a critical reactor
core. The following discussions omit these cases.
Two metrics determined the optimal configuration of target fuel
pins using the three objective functions. The first metric is the
 J. Washington, J. King / Nuclear Engineering and Design 311 (2017) 199–212
Table 4.2
The five near optimal single target fuel pin designs produced by the first stage optimization with the coupled DAKOTA/NEWT code.
Case Fuel pin radius (mm) Absorber thickness (mm) Spectral shift absorber
1 1
1 1.20  10 3.71  10 Lu2O3
2 8.83  102 8.42  101 Lu2O3
3 7.63  102 1.30 Lu2O3
4 3.63  101 8.42  101 Lu2O3
5 6.01  101 8.54  101 Lu2O3
EFPD penalty (Objective function 1 in Table 4.1), and the second
metric is the ratio of plutonium to curium transmutation (the ratio
of Objective functions 2 and 3 in Table 4.1). The EFPD penalty
(Fig. 4.2a) is a measure of how long the quarter-assembly remained
critical compared to an unmodified quarter-assembly, which lasts
1400 EFPD. SCALE6.1 reports reactivity results at the midpoint of
the burnup step and requires discretized burnup steps resulting
in the non-continuous distribution of EFPD penalties represented
in Fig. 4.2. This difference is important because it indicates how
much reactivity the quarter-assembly would remove from a whole
reactor. The EFPD penalty is also important in ensuring the
quarter-assembly reaches a reasonable burnup before removal
from the reactor. The normalized plutonium to curium ratios
allowed a fair comparison between quarter-assemblies that con-
tained different initial masses of these isotopes.
Fig. 4.2a shows the EPFD penalty as a function of the number of
target fuel pins for the second stage quarter-assemblies that
achieved at least 100 days of operation. Fig. 4.2b displays the same
information quarter-assembly configurations with 18 or fewer
target fuel pins in Fig. 4.2a with the lowest EFPD penalty. The
assemblies containing more than 18 target fuel pins per quarter-
assembly had EPFD penalties of at least 800 days and were omitted
from further consideration. None of the options had an EFPD pen-
alty equal to zero but a small number of the potential configura-
tions in Fig. 4.2b have an EFPD penalty of less than 100 days. All
of the configurations with an EFPD penalty of 100 days or less
had fewer than five target fuel pins in the quarter-assembly. The
target fuel pin configurations corresponding to the points shown
in Fig. 4.2 are the closest to the goal for the end of life reactivity.
Table 4.4 displays data for selected cases in the second optimiza-
tion stage with an EPFD penalty of less than 800 days. There were
multiple cases satisfying this criteria with six or fewer pins per
quarter-assembly. The pairs of one through six pin cases in
Table 4.4 represent the cases with the highest and lowest Objective
Function Two over Objective Function Three ratios for a given
number of target pins pre quarter-assembly. The quarter-
assemblies in Fig. 4.2b that have an EFPD penalty less than
465 days represent the configurations that are likely to achieve a
full burnup cycle with additional optimization, or that will have
the smallest impact on a reactor containing only a few target
quarter-assemblies. It is likely that these quarter-assemblies may
be further improved, as their end of life reactivity was close to that
of the full burnup of a standard AP1000 fuel quarter-assembly, or
similar numbers of target fuel pins achieved a lower EFPD penalty
based on their relative position in the quarter-assembly.
Since the target fuel pins contain less fissile material than the
uranium fuel pins used in the AP1000 fuel quarter-assembly, each
Table 4.3
Frequency of each fuel type and spectral shift absorber during the single-pin DAKOTA evaluations.
Fuel type Count Frequency
PuZrO2MgO (8%) 290 45.31%
Pu0.31ZrH1.6Th1.08 248 38.75%
MOX (5% PuO2) 102 15.94%
205
Fuel type Objective function 2 Objective function 3
PuZrO2MgO (8%) 0.082513 0.522594
PuZrO2MgO (8%) 0.091562 0.501212
PuZrO2MgO (8%) 0.105265 0.493356
PuZrO2MgO (8%) 0.10584 0.490521
PuZrO2MgO (8%) 0.117524 0.488797
additional target fuel pin added to the quarter-assembly configura-
tion reduces the total reactivity available to the quarter-assembly.
The target fuel pins are also coated with a spectral shift absorber,
which acts as an additional layer of self-shielding. As the number
of self-shielded pins increases in the quarter-assembly, both the
quarter-assembly as a whole and the individual fuel pins become
more opaque to neutrons. In this study, fuel quarter-assemblies
with more than twenty-six target fuel pins cannot remain critical
for more than 100 days.
Fig. 4.2b and Table 4.4 contains two examples of quarter-
assembly configurations where the same number of target fuel
pins, or fewer, achieved a lower EPFD penalty based on their posi-
tion in the quarter-assembly. The two data points corresponding to
three target fuel pins per quarter-assembly indicate that the posi-
tion of the target fuel pins is important. These two quarter-
assemblies contain the same number of similar target fuel pins
in different locations, but show a difference of at least a year in
terms of active lifetime. The second two data points of importance
in Fig. 4.2b and Table 4.4 are the points at 15 and 16 target fuel
pins per quarter-assembly. Those examples reveal a quarter-
assembly configuration where more target fuel pins can achieve
a smaller EFPD penalty. These two quarter-assembly configura-
tions indicate that a quarter-assembly with more than three target
fuel pins may achieve the smallest EFPD penalty if the target fuel
pins are placed in the correct configuration.
Fig. 4.3a and b shows the ratio of plutonium-to-curium trans-
mutation as a function of the EFPD penalty and the number of tar-
get fuel pins in the quarter-assembly, respectively. Fig. 4.3a shows
the differences between various quarter-assembly configurations
in terms of the ratio of plutonium to curium as a function of the
EFPD penalty. A number of assemblies have the same EFPD penalty
with a 10% variation in the transmutation ratio. While the range of
variation in the transmutation metrics of the system is small, this
figure does show that improvements are possible with variation in
both the number and positions of the target fuel pins.
Fig. 4.3b and Table 4.4 illustrate the differences in the pluto-
nium/minor actinide ratio (Objective function 2/Objective function
3 in Table 4.4) as a function of pin position with the same number
of target fuel pins. The variation in plutonium to minor actinide
ratio occurs most frequently in the quarter-assemblies with six
or fewer target fuel pins. The differences in the quarter-assembly
configurations reveal that assemblies with up to sixteen target fuel
pins can achieve similar transmutation metrics as those assemblies
with three target fuel pins. Of particular note is the five target fuel
pin quarter-assembly, which achieves a transmutation perfor-
mance metric similar to those of the one and two target fuel pin
quarter-assemblies.
SSA type Count Frequency
Gd2O3 128 20.00%
In2O3 152 23.75%
Lu2O3 178 27.81%
Sm2O3 182 28.44%
206 J. Washington, J. King / Nuclear Engineering and Design 311 (2017) 199–212

a) EFPD penalty as a function of number of target fuel pins

b) EFPD penalty as a function of number of target fuel pins for

selected cases from the stage two evaluations
Fig. 4.2. EFPD penalty as a function of the number of target fuel pins per quarter-assembly.

Table 4.4
Selected stage two cases with an EPFD less than or equal to 725 days.

Number of target fuel pins Objective function 1 Objective function 2 Objective function 3 (Objective function 2)/
per quarter-assembly (Objective function 3) ratio
1 75 0.1518 0.5311 0.2858b
1 75 0.1038 0.4909 0.2115c
2 75 0.1425 0.5230 0.2725b
2 75 0.1124 0.4985 0.2254c
3 425 0.2362 0.5934 0.3980b
3 75 0.1268 0.5105 0.2484c
4 425 0.2325 0.5913 0.3933b
4 425 0.1482 0.5251 0.2822c
5 425 0.2320 0.5911 0.3925b
5a 425a 0.1647a 0.5398a 0.3051a,c
6 425 0.2125 0.5773 0.3681b
6 425 0.2035 0.5706 0.3566c
7 425 0.2272 0.5880 0.3863
8 425 0.2295 0.5901 0.3889
9 425 0.2164 0.5807 0.3727
11 425 0.2326 0.5933 0.3921
12 425 0.2298 0.5918 0.3883
13 425 0.2344 0.5955 0.3936
15 775 0.3204 0.6789 0.4719
16 425 0.2315 0.5939 0.3898
18 775 0.3679 0.7059 0.5213

Bold values show the case selected for the following optimization stage.
a
Selected for final optimization stage.
b
Highest objective 2/3 ratio with the same number of pins per quarter-assembly.
c
Lowest objective 2/3 ratio with the same number of pins per quarter-assembly.
 J. Washington, J. King / Nuclear Engineering and Design 311 (2017) 199–212 207

The quarter-assemblies containing five target fuel pins shown
in Fig. 4.3 and Table 4.4 have EFPD penalties similar to the
worst-case quarter-assemblies containing one or two target fuel
pins. Irradiation of the worst-performing of the quarter-
assemblies containing five target fuel pins achieved minor actinide
transmutation metrics similar to those of the worst-performing of
the single target pin quarter-assembly, 0.54 compared to 0.53,
respectively. The best-performing quarter-assembly containing
five target fuel pins transmuted 17 wt% less actinides than the
best-performing quarter-assembly containing six target fuel pins.
The best-performing quarter-assembly with five target fuel pins
reaches a lifetime of 975 EFPD, and may be able to be further opti-
mized. Based on the low plutonium to minor actinide ratios, the
similarity to the best performing single target pin fuel quarter-
assembly, and the high end of cycle reactivity, this study selected
the quarter-assembly configuration in Fig. 4.4 for the target pin
reconsideration in the final optimization stage.
4.3. Third stage optimization
The third and final optimization stage used the optimized
quarter-assembly geometry from the second stage (Fig. 4.4) and
reconsidered the target fuel pin configuration. This stage set the
location of five identical target fuel pins based on the results of Sec-
tion 4.2. The genetic algorithm varied the internal geometry of
these five target fuel pins, reconsidering the fuel type, the spectral
shift absorber, and the outer diameters of these two materials. The
target fuel pins have the same geometry in any given quarter-
assembly and varied greatly in dimension over the course of the
simulations (see Fig. 4.5).
The optimal transmutation would occur in a quarter-assembly
configuration that produced the highest rates of plutonium and
overall minor actinide transmutation with the lowest production
of curium and the lowest EFPD penalty. The best transmutation
results in this stage come from thin target fuel pins with a thin
spectral shift absorber coating. The series of optimization runs in
the final stage resulted in target fuel pins that were thicker than
the optimized single pin from Section 4.1 by an average factor of
3.15 (1.44 cm for Case 8 in the final optimization stage (Table 4.5)
compared to 0.12 cm for Case 1 in the first optimization stage
(Table 4.2)).
Table 4.5 presents the nine near optimal configurations deter-
mined by the final optimization stage. At this stage in the opti-
mization all of the near optimal target fuel pin designs achieved
the minimum EFPD penalty and for this reason the results from
Objective function 1 are not reported. In contrast to the first stage
optimization, that selected lutetium oxide in the top five cases, the
spectral shift absorber choices in the top nine cases in the final
stage included lutetium, samarium, and gadolinium oxides. Similar
to the first stage of the optimization, the final stage selected the
inert matrix fuel in eight of the nine final cases. The MOX target
fuel does not appear in the top 30 cases in the final stage, though
both the inert matrix and hydride target fuels are well represented
in these cases (17 instances of inert matrix fuel and 13 instances of

a) Plutonium to curium transmutation ratio as a function of EFPD penalty

b) Plutonium to curium transmutation ratio as a

function of number of target fuel pins
Fig. 4.3. Plutonium to curium transmutation ratio comparisons for quarter-assemblies with one to 25 target fuel pins in the second optimization stage.
208 J. Washington, J. King / Nuclear Engineering and Design 311 (2017) 199–212
Fig. 4.4. Quarter-assembly configuration considered in the final optimization stage.
hydride fuel). Though the final solutions are weighted towards
inert matrix and hydride fuels, each of the three fuel types
occurred regularly during the evaluations (see Table 4.6). The pos-
sible spectral shift absorbers were also evenly represented in the
stage three calculations (Table 4.6). The best configuration for the
transmutation of plutonium determined by these simulations, Case
8 in Table 4.5, consisted of a thin (1.44 mm) target fuel pin of the
inert matrix fuel with a 0.064 mm lutetium oxide spectral shift
absorber coating. Determination of the most optimal case resulted
from the comparison of the linear distance of Objective function
Two (x) and Three (y) to zero for each individual case in the third
optimization stage. Case 8 represents the optimal case because its
pffiffiffiffiffiffiffiffiffiffiffiffiffiffiffi
objective functions are the closest (d ¼ x2 þ y2 ) to the ideal case
(0, 0).
The configurations in Table 4.5 result in a slight increase in the
transmutation of minor actinides over the irradiation period com-
pared to the first optimization stage (52 wt% for Case 8 in the final
stage and 51 wt% for Case 5 in the first stage). The radius of the tar-
get fuel pin increased by 240% in the final optimization stage com-
pared to the radius of the target fuel pin in the first optimization
stage. While the total mass of the target fuel pin remains small,
compared to the uranium oxide fuel rods, the improvements from
the first optimization stage are significant. Unexpectedly, the coat-
ing thickness of the spectral shift absorber coating did not vary in
the top nine configurations, regardless of the material selected for
the absorber coating. Though the spectral shift absorber thickness
is uniform in the results, the simulations did explore the full prob-
lem space (see Fig. 4.5). This indicates that the final spectral shift
Fig. 4.5. Spectral shift absorber outer radius as a function of evaluation number in the final optimization stage.
absorber coating thicknesses are a product of the evolution process
used by the genetic algorithm and not a result of the algorithm
becoming trapped in a local minimum. The following section con-
siders this further.
4.4. Optimization validation
Overarching analysis of both the single (stage one) and multiple
(stage three) target fuel pin optimizations reveals no quarter-
assembly configurations that resulted in a net increase in the mass
of the minor actinides tracked in this study. Fig. 4.6 presents the
normalized mass of plutonium at end of cycle as a function of
the normalized mass of minor actinides at end of cycle for all of
the stage one and stage three cases. The total quantity of minor
actinides decreased in all cases evaluated in this study, as seen in
Fig. 4.6. Since all of the evaluations performed in this study gener-
ated additional curium and the other residual minor actinides are
neptunium and americium, the net decrease in minor actinides
must come from the transmutation of americium and neptunium.
Fig. 4.7 presents the end of life normalized masses of
plutonium-239 and curium-244 for all of the simulations per-
formed during this study and in previous related studies
(Washington et al., 2017). The masses presented in Fig. 4.7 are nor-
malized to the initial masses in the target fuels. The Pareto frontier
is visible on the left edge of this figure and the masses of
plutonium-239 and curium-244 act as competing variables. The
distribution of the data points in Fig. 4.7 is broad and indicates
no local maxima in which the genetic search algorithm could
 J. Washington, J. King / Nuclear Engineering and Design 311 (2017) 199–212 209

Table 4.5
Near optimal multiple target fuel pin designs from the stage three evaluations.

Case Fuel pin radius (mm) Absorber thickness (mm) Spectral shift absorber Fuel type Objective function 2 Objective function 3
1 2
1 2.25  10 6.41  10 Gd2O3 PuZrO2MgO (8%) 0.054068 0.531486
2 7.24  101 6.41  102 Gd2O3 PuZrO2MgO (8%) 0.058489 0.509038
3 9.37  101 6.41  102 Gd2O3 PuZrO2MgO (8%) 0.064093 0.503688
4 1.05 6.41  102 Gd2O3 PuZrO2MgO (8%) 0.067443 0.501492
5 1.01 6.41  102 Sm2O3 PuZrO2MgO (8%) 0.072549 0.493598
6 1.01 6.41  102 Lu2O3 PuZrO2MgO (8%) 0.078174 0.484607
7 1.05 6.41  102 Lu2O3 PuZrO2MgO (8%) 0.078806 0.484052
8 1.44 6.41  102 Lu2O3 PuZrO2MgO (8%) 0.086781 0.480742
9 7.24  101 6.41  102 Lu2O3 Pu0.31ZrH1.6Th1.08 0.106412 0.47843

Table 4.6
Frequency of each fuel type and spectral shift absorber during the stage three evaluations.

Fuel type Count Frequency SSA type Count Frequency

PuZrO2MgO (8%) 277 43.49% Gd2O3 169 26.53%
Pu0.31ZrH1.6Th1.08 233 36.58% In2O3 171 26.84%
MOX (5% PuO2) 127 19.94% Lu2O3 181 28.41%
Sm2O3 116 18.21%

have become trapped. The large distribution indicates that the
algorithm explored a majority of the problem space. The low quan-
tity of plutonium transmutation displayed in the upper left corner
of Fig. 4.7 results from those target fuel pins being self-shielded
from the neutron flux, which prevents significant burnup of pluto-
nium and also reduces the total quantity of curium produced dur-
ing the simulations. This self-shielding occurs when the spectral
shift absorber coating is too thick for depletion over the burnup
cycle of the quarter-assembly. The converse is true for curium-
244 production. Higher plutonium transmutation results in the
production of additional curium-244 through capture reactions.
In this study, the rate of change for curium-244 transmutation
has a significantly smaller gradient than that of the plutonium-
239 transmutation. This is visible in the lower region of Fig. 4.7.
The target fuel evaluations shown as round dots in Fig. 4.7 rep-
resent the end of life data for single target fuel pins of various fuel
types without a spectral shift absorber. These evaluations come
from a previous study (Washington et al., 2017) and are included
to demonstrate the improvements provided by the addition of a
spectral shift absorber coating. The absorber optimization data
points (diamonds) represent optimization steps that were
performed by hand using the spectral shift absorbers listed in
Table 2.1 with all of the potential fuel types considered in the pre-
vious study. These instances of the optimization model approached
the Pareto frontier developed in this study but did not fully explore
the possible solutions to this optimization problem. The first pass
of the coupled NEWT and MOGA packages provided the triangular
data points. These data points are clustered in the upper right of
the plot due to an initial overweighting of the first objective func-
tion listed in Table 4.1. All three of these data sets provided initial
information to the final three optimization stages (squares in
Fig. 4.7).
The three optimization stages in the present study developed
the same Pareto frontier as the previous studies (shown in
Fig. 4.7). This indicates the limiting plutonium and curium trans-
mutation rates that can be achieved using the geometries explored
in this study. Further improvements in relative transmutation rates
would have to be achieved through additional alterations to the
quarter-assembly geometry (such as lattice pitch), changes to the
total number of fuel pins, or increased irradiation times. The curva-

Fig. 4.6. Normalized mass of plutonium at end of cycle as a function of the normalized mass of the minor actinides at end of cycle for all of the stage one and stage three cases.
210 J. Washington, J. King / Nuclear Engineering and Design 311 (2017) 199–212

Fig. 4.7. Normalized mass of plutonium-239 as a function of normalized mass of curium-244.

ture of the Pareto front demonstrates that achieving transmutation
of all of the plutonium in the target fuel pins is unfavorable in
terms of curium production. Transmuting more than 90 wt% of
plutonium-239 significantly increases the quantity of curium-244
produced in the target fuel pins.
4.5. Optimization results
Though this study did not indicate the possibility of complete
transmutation of all the minor actinides and plutonium, a clear
balance between plutonium transmuted and curium produced
exists. The curvature of the Pareto front seen in Fig. 4.7 shows an
optimum trade-off of plutonium-239 transmutation and curium-
244 production between a 70–90 wt% reduction in plutonium-
239 and a 250–400% increase in curium-244. All of the simulations
performed during this study resulted in a reduction in the total
quantities of minor actinides (see Fig. 4.6).
The addition of the spectral shift absorber coating to the tar-
get fuel pins provides an increase in the transmutation of the
minor actinides at the cost of a decrease in the total rate of plu-
tonium transmutation. These differences are shown in Table 4.7
as the percent change in the objective functions due to the
addition of a spectral shift absorber to the top nine stage-three
configurations. In each of the cases shown, the addition of the
spectral shift absorber coating improves the transmutation of
the minor actinides. The first and third optimization stages
rejected In2O3 as an optimal spectral shift coating despite the
performance of In2O3 in the absorber optimization evaluations
(Washington et al., 2017). The frequency of the In2O3 absorber
(Tables 4.3 and 4.6) indicates it was well represented during
the optimization stages but less effective than the other
spectral shift coatings in reducing the objective function values.
In Cases 1 through 5 in Table 4.7, the addition of the coating
also improves the total plutonium transmutation. The
highest transmutation of plutonium and minor actinides was
achieved through the irradiation of a PuZrO2MgO target
fuel with a Lu2O3 spectral shift absorber coating, Case 8 in
Table 4.7.
The optimal target fuel pins selected by the present study are
very thin. The production of an actual fuel pellet with a radius of
0.225 mm (Case 1 in Table 4.7), for example, would be very diffi-
cult. The small radial dimension of the fuel reduces the self-
shielding of the material and has additional implications assuming
the fuel pins could be produced. For example, the small quantity of
fissile material contained in the fuel pin could warrant a reduction
in the cladding thickness of the fuel pin. Pins of this size could be

Table 4.7
Difference in objective functions for the nine optimal stage three configurations from DAKOTA with and without spectral shift absorbers.

Case Fuel pin Absorber Spectral shift Fuel type Change in objective Change in objective
radius (mm) thickness (mm) absorber function 2a function 3a
1 2.25  101 6.41  102 Gd2O3 PuZrO2MgO (8%) 11.43% 9.59%
2 7.24  101 6.41  102 Gd2O3 PuZrO2MgO (8%) 21.12% 8.04%
3 9.37  101 6.41  102 Gd2O3 PuZrO2MgO (8%) 16.61% 7.44%
4 1.05 6.41  102 Gd2O3 PuZrO2MgO (8%) 13.71% 7.12%
5 1.01 6.41  102 Sm2O3 PuZrO2MgO (8%) 4.90% 9.07%
6 1.01 6.41  102 Lu2O3 PuZrO2MgO (8%) 2.65% 11.09%
7 1.05 6.41  102 Lu2O3 PuZrO2MgO (8%) 2.69% 10.98%
8 1.44 6.41  102 Lu2O3 PuZrO2MgO (8%) 3.24% 9.64%
9 7.24  101 6.41  102 Lu2O3 Pu0.31ZrH1.6Th1.08 1.66% 5.30%
a
(Objective function with SSA – Objective function without SSA)/Objective function without SSA.
 J. Washington, J. King / Nuclear Engineering and Design 311 (2017) 199–212
incorporated into additional inert matrix materials or, depending
on the ductility of the material, could be drawn into wires and
wrapped around existing fuel pellets. The radiological hazard of
fabrication of such small quantities of radioactive material would
be less than that of a more standard fuel pellet size though the
overall rate of transmutation would be small.
5. Summary and conclusions
This study evaluated combinations of three different target
fuels (MOX (5% PuO2), Pu0.31ZrH1.6Th1.08, and PuZrO2MgO) and four
different spectral shift absorbers (Gd2O3, In2O3, Lu2O3, and Sm2O3)
for the transmutation of neptunium, plutonium, americium, and
curium in existing light water reactors as a method to reduce the
stockpile of plutonium and minor actinides without the use of fast
reactors. Coupled NEWT/DAKOTA models performed the optimiza-
tion studies in this study. The Multi-Objective function Genetic
search Algorithm (MOGA) module of the DAKOTA optimization
suite provided the genetic search algorithm. The NEWT package
of the SCALE reactor code performed the neutronics calculations,
based on a modified AP1000 17  17 Robust Fuel Assembly geom-
etry. The combinations of target fuel and spectral shift absorber
were evaluated for the destruction of plutonium and minor acti-
nides as a function of target fuel pin material, spectral shift absor-
ber material, internal target fuel pin geometry, placement of target
fuel pins in the quarter-assembly, and number of target fuel pins.
Normalized objective functions compared each configuration at
the end of a 1400 EFPD burnup cycle.
The optimization proceeded in three stages. The first stage opti-
mized a single target fuel pin per quarter-assembly located adja-
cent to the central instrumentation channel. This stage revealed
that a thin (0.036 mm) inert matrix target fuel pin (PuZrO2MgO)
with a lutetium oxide (Lu2O3) coating resulted in the most com-
plete transmutation (88 wt% of the plutonium and 51 wt% of the
minor actinides).
In the second optimization stage, the coupled codes evaluated
quarter-assembly configurations with different numbers of the
optimal first stage target fuel pins in various locations in the
quarter-assembly. Though the highest rated quarter-assemblies
contained three or fewer target fuel pins, a number of data points
suggested additional target pins could be added. The second stage
optimization indicated that the highest rate of minor actinide
transmutation would occur in a quarter-assembly containing five
target fuel pins. Irradiation of the five target pin quarter-
assembly selected for further optimization achieved transmutation
rates similar to some of the one and two target fuel pin quarter-
assemblies. The selected five pin quarter-assembly also ended
the irradiation period with a relatively small EFPD penalty (75
EFPD).
The third optimization stage re-optimized the geometry of the
target fuel pins in the five target pin quarter-assembly geometry
from the second optimization stage to maximize plutonium and
minor actinide transmutation. This stage fixed the number
and position of the five target fuel pins in the quarter assembly
and re-optimized the pins’ internal geometry. The final stage pro-
duced a quarter-assembly capable of transmuting nearly 89 wt%
of the original plutonium and 52 wt% of the original minor acti-
nides by the end of an irradiation cycle. The third stage configura-
tion resulted in larger target fuel pins than the first stage (fuel pin
radii of 1.44 mm vs 0.6 mm, respectively) with a thinner coating of
spectral shift absorber (coating thickness of 0.06 mm vs 0.85 mm,
respectively). Additionally, the variety of potentially optimal spec-
tral shift absorbers increased in the final stage, from one material
(Lu2O3) in the first stage to three (Gd2O3, Lu2O3, and Sm2O3) in
the final stage. The 8 wt% PuZrO2MgO inert matrix fuel pin with
211
a 1.44 mm radius and a 0.06 mm Lu2O3 coating in a five target fuel
pin per quarter-assembly configuration represents the near opti-
mal combination for the transmutation of plutonium and minor
actinides in the LWR environment considered in this study.
Acknowledgements
Jeremy Washington was supported by a Colorado School of
Mines Nuclear Science and Engineering Fellowship with funding
provided by the U.S. Nuclear Regulatory Commission under grant
number NRC-38-10-952.
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