Publications

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A recently proposed approach for the Direct Simulation Monte Carlo (DSMC) method to calculate chemical-reaction rates is assessed for high-temperature atmospheric species. The new DSMC model reproduces measured equilibrium reaction rates without using any macroscopic reaction-rate information. Since it uses only molecular properties, the new model is inherently able to predict reaction rates for arbitrary non-equilibrium conditions. DSMC non-equilibrium reaction rates are compared to Park's phenomenological nonequilibrium reaction-rate model, the predominant model for hypersonic-flow-field calculations. For near-equilibrium conditions, Park's model is in good agreement with the DSMC-calculated reaction rates. For far-from-equilibrium conditions, corresponding to a typical shock layer, significant differences can be found. The DSMC predictions are also found to be in very good agreement with measured and calculated non-equilibrium reaction rates, offering strong evidence that this is a viable and reliable technique to predict chemical reaction rates.

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The missions is to Provide the Highest Quality Materiel Solution to our Consequence Management DoD Responder's Requirements by Applying Rapid Acquisition. To Interface With Customers in Respect to the Assessment of Needs, to Deliver Products That Exceed Expectations, to Optimize Safety, Performance, Cost, Schedule, and Sustainability, Throughout the Life Cycle of Each COTS Item. On Order, Support Other Federal, State Agencies, and Local First Responders.

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There is a long history of testing crushed salt as backfill for the Waste Isolation Pilot Plant program, but testing was typically done at 100 C or less. Future applications may involve backfilling crushed salt around heat-generating waste packages, where near-field temperatures could reach 250 C or hotter. A series of experiments were conducted to investigate the effects of hydrostatic stress on run-of-mine salt at temperatures up to 250 C and pressures to 20 MPa. The results of these tests were compared with analogous modeling results. By comparing the modeling results at elevated temperatures to the experimental results, the adequacy of the current crushed salt reconsolidation model was evaluated. The model and experimental results both show an increase in the reconsolidation rate with temperature. The current crushed salt model predicts the experimental results well at a temperature of 100 C and matches the overall trends, but over-predicts the temperature dependence of the reconsolidation. Further development of the deformation mechanism activation energies would lead to a better prediction of the temperature dependence by the crushed salt reconsolidation model.

Large diameter nested wire array z-pinches imploded on the Z-generator at Sandia National Laboratories have been used extensively to generate high intensity K-shell radiation. Large initial radii are required to obtain the high implosion velocities needed to efficiently radiate in the K-shell. This necessitates low wire numbers and large inter-wire gaps which introduce large azimuthal non-uniformities. Furthermore, the development of magneto-Rayleigh-Taylor instabilities during the implosion are known to generate large axial non-uniformity These effects motivate the complete, full circumference 3-dimensional modeling of these systems. Such high velocity implosions also generate large voltages, which increase current losses in the power feed and limit the current delivery to these loads. Accurate representation of the generator coupling is therefore required to reliably represent the energy delivered to, and the power radiated from these sources. We present 3D-resistive MHD calculations of the implosion and stagnation of a variety of large diameter stainless steel wire arrays (hv {approx} 6.7 keV), imploded on the Z-generator both before and after its refurbishment. Use of a tabulated K-shell emission model allows us to compare total and K-shell radiated powers to available experimental measurements. Further comparison to electrical voltage and current measurements allows us to accurately assess the power delivered to these loads. These data allow us to begin to constrain and validate our 3D MHD calculations, providing insight into ways in which these sources may be further optimized.

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This paper presents initial designs of multiple-shell gas puff imploding loads for the refurbished Z generator. The nozzle has three independent drivers for three independent plena. The outer and middle plena may be charged to 250psia whilst the central jet can be charged to 1000psia. 8-cm and 12-cm outer diameter nozzles have been built and tested on the bench. The unique valve design provides a very fast opening, hence the amount of stray gas outside the core nozzle flow is minimized. A similar 8-cm nozzle was characterized earlier using a fiber optic interferometer, but at lower pressures and without the central jet. Those data have been scaled to the higher pressures required for refurbished Z and used to estimate performance. The use of three independent plena allows variation of the pressure (hence mass distribution) in the nozzle flow, allowing optimization of implosion stability and the on-axis mass that most contributes to K-shell emission. Varying the outer/middle mass ratios influences the implosion time and should affect the details of the assembly on axis as well as the radiation physics. Varying the central jet pressure will have a minor effect on implosion dynamics, but a strong effect on pinch conditions and radiation physics. Optimum mass distributions for planned initial Ar shots on refurbished Z are described. Additional interferometer data including the central jet and at higher pressures will also be presented.

Large diameter (50-70 mm) wire array z pinches are fielded on the refurbished Z machine to generate 1-10 keV K-shell x-ray radiation. Imploding with velocities approaching 100 cm/{micro}s, these loads create large dL/dt which generates a high voltage, stresses the convolute, and leads to current loss. High velocities are required to reach the few-keV electron temperatures required to strip moderate-atomic-number plasmas to the K shell, thus there is an inherent trade-off between achieving high velocity and stressing the pulsed power driver via the large dL/dt.Here, we present experiments in which the length of stagnated Cu and stainless steel z pinches was varied from 12-24 mm. The motivation in reducing the pinch height is to lower the final inductance and improve coupling to the generator. Shortening a Cu pinch from 20 to 12 mm by angling the anode glide plane reduced the final L and dL/dt, enhancing the feed current by 1.4 MA, nearly doubling the K-shell power per unit length, and increasing the net K-shell yield by 20%. X-ray spectroscopy is employed to assess differences in plasma conditions between the loads. Lengthening the pinch could lead to yield enhancements by increasing the mass participating in the implosion, provided the increased inductance is not overly detrimental to the current coupling. In addition to the experimental results, these scenarios are studied via thin-shell 0D and also magneto-hydrodynamic modeling with a coupled driver circuit model.

Star wire arrays with two closely located wires ('gates') on the inner cylinder of star wire arrays were studied. The gate wires were used to study plasma interpenetration and reproduce transparent and non-transparent regimes of propagation of the imploding plasma through the gates. The non-transparent mode of collision is typical for regular star wire arrays and it was also observed in Al stars with gate wires of regular length. Gated star arrays demonstrate similar x-ray yield but slightly different delay of x-ray generation compared to regular stars. Double length wires were applied as gate wires to increase their inductance and resistance and to increase transparency for the imploding plasma. The wires of the gates were made of Al or high atomic number elements, while the rest of the arrays were regular length Al wires. An intermediate semi-transparent mode of collision was observed in Al stars with long Al gate wires. Arrays with long heavy-element gate wires demonstrated transparency to plasma passing through. Shadowgraphy at the wavelength of 266 nm showed that plasma moved through the gate wires. Double implosions, generating a double-peak keV X-ray pulse, were observed in star arrays when the gates were made of high atomic number elements. A new laser diagnostic beampath for vertical probing of the Z-pinch was built to test how wires could be used to redirect plasma flow. This setup was designed to test gated arrays and further configurations to create a rotating pinch. Results on plasma flow control obtained are discussed, and compared to numerical calculations.

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This paper is focused on the optical properties of nanocomposite plasmonic emitters with core/shell configurations, where a fluorescence emitter is located inside a metal nanoshell. Systematic theoretical investigations are presented for the influence of material type, core radius, shell thickness, and excitation wavelength on the internal optical intensity, radiative quantum yield, and fluorescence enhancement of the nanocomposite emitter. It is our conclusion that: (i) an optimal ratio between the core radius and shell thickness is required to maximize the absorption rate of fluorescence emitters, and (ii) a large core radius is desired to minimize the non-radiative damping and avoid significant quantum yield degradation of light emitters. Several experimental approaches to synthesize these nanocomposite emitters are also discussed. Furthermore, our theoretical results are successfully used to explain several reported experimental observations and should prove useful for designing ultra-bright core/shell nanocomposite emitters.

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We present a shape-first approach to finding automobiles and trucks in overhead images and include results from our analysis of an image from the Overhead Imaging Research Dataset [1]. For the OIRDS, our shape-first approach traces candidate vehicle outlines by exploiting knowledge about an overhead image of a vehicle: a vehicle's outline fits into a rectangle, this rectangle is sized to allow vehicles to use local roads, and rectangles from two different vehicles are disjoint. Our shape-first approach can efficiently process high-resolution overhead imaging over wide areas to provide tips and cues for human analysts, or for subsequent automatic processing using machine learning or other analysis based on color, tone, pattern, texture, size, and/or location (shape first). In fact, computationally-intensive complex structural, syntactic, and statistical analysis may be possible when a shape-first work flow sends a list of specific tips and cues down a processing pipeline rather than sending the whole of wide area imaging information. This data flow may fit well when bandwidth is limited between computers delivering ad hoc image exploitation and an imaging sensor. As expected, our early computational experiments find that the shape-first processing stage appears to reliably detect rectangular shapes from vehicles. More intriguing is that our computational experiments with six-inch GSD OIRDS benchmark images show that the shape-first stage can be efficient, and that candidate vehicle locations corresponding to features that do not include vehicles are unlikely to trigger tips and cues. We found that stopping with just the shape-first list of candidate vehicle locations, and then solving a weighted, maximal independent vertex set problem to resolve conflicts among candidate vehicle locations, often correctly traces the vehicles in an OIRDS scene.

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Chalcogenide compounds based on the rocksalt and tetradymite structures possess good thermoelectric properties and are widely used in a variety of thermoelectric devices. Examples include PbTe and AgSbTe2, which have the rocksalt structure, and Bi2Te3, Bi2Se3, and Sb2Te3, which fall within the broad tetradymite-class of structures. These materials are also of interest for thermoelectric nanocomposites, where the aim is to improve thermoelectric energy conversion efficiency by harnessing interfacial scattering processes (e.g., reducing the thermal conductivity by phonon scattering or enhancing the Seebeck coefficient by energy filtering). Understanding the phase stability and microstructural evolution within such materials is key to designing processing approaches for optimal thermoelectric performance and to predicting the long-term nanostructural stability of the materials. In this presentation, we discuss our work investigating relationships between interfacial structure and formation mechanisms in several telluride-based thermoelectric materials. We begin with a discussion of interfacial coherency and its special aspects at interfaces in telluride compounds based on the rocksalt and tetradymite structures. We compare perfectly coherent interfaces, such as the Bi2Te3 (0001) twin, with semi-coherent, misfitting interfaces. We next discuss the formal crystallographic analysis of interfacial defects in these systems and then apply this methodology to high resolution transmission electron microscopy (HRTEM) observations of interfaces in the AgSbTe2/Sb2Te3 and PbTe/Sb2Te3 systems, focusing on interfaces vicinal to {l_brace}111{r_brace}/{l_brace}0001{r_brace}. Through this analysis, we identify a defect that can accomplish the rocksalt-to-tetradymite phase transformation through diffusive-glide motion along the interface.

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A deuterium gas puff z-pinch has been shown to be a significant source of neutrons with yield scaling with current as Y{sub n} {approx} I{sup 3.5}. Recent implicit, electromagnetic and kinetic particle-in-cell simulations with the LSP code have shown that the yield has significant thermonuclear and beam-target components. Beam-target neutron yield is produced from deuterium ion high-energy tails driven by the Rayleigh Taylor instability. In this paper, we present further results from 1-3D simulations of deuterium z-pinches over a wider current range 1.4-20 MA. Preliminary results show that unlike the high current regime above 7 MA, the yield at lower currents is dominated by beam-target fusion reactions from high energy ions consistent with experiment. We will also examine in 3D the impact of the Rayleigh Taylor instability on the ion energy distribution. We discuss the implications of these simulations for neutron yield at still higher currents.

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Statistical analysis is typically used to reduce the dimensionality of and infer meaning from data. A key challenge of any statistical analysis package aimed at large-scale, distributed data is to address the orthogonal issues of parallel scalability and numerical stability. Many statistical techniques, e.g., descriptive statistics or principal component analysis, are based on moments and co-moments and, using robust online update formulas, can be computed in an embarrassingly parallel manner, amenable to a map-reduce style implementation. In this paper we focus on contingency tables, through which numerous derived statistics such as joint and marginal probability, point-wise mutual information, information entropy, and {chi}{sup 2} independence statistics can be directly obtained. However, contingency tables can become large as data size increases, requiring a correspondingly large amount of communication between processors. This potential increase in communication prevents optimal parallel speedup and is the main difference with moment-based statistics (which we discussed in [1]) where the amount of inter-processor communication is independent of data size. Here we present the design trade-offs which we made to implement the computation of contingency tables in parallel. We also study the parallel speedup and scalability properties of our open source implementation. In particular, we observe optimal speed-up and scalability when the contingency statistics are used in their appropriate context, namely, when the data input is not quasi-diffuse.

The objectives of this project are to: (1) move scientific programmers to higher-level, platform-agnostic yet scalable abstractions; (2) to demonstrate general OOD patterns and distill new domain-specific patterns from multiphysics applications in Fortran; and (3) to construct an open-source framework that encourages the use of the demonstrated patterns. Some conclusions are: (1) Calculus illuminates a path toward highly asynchronous computing that blurs the task/data parallel distinction; (2) Fortran 2003 appears to have the expressiveness to support the general GoF design patterns in multiphysics applications; and (3) several domain-specific and language-specific patterns emerge along the way.

Large, complex networks are ubiquitous in nature and society, and there is great interest in developing rigorous, scalable methods for identifying and characterizing their vulnerabilities. This paper presents an approach for analyzing the dynamics of complex networks in which the network of interest is first abstracted to a much simpler, but mathematically equivalent, representation, the required analysis is performed on the abstraction, and analytic conclusions are then mapped back to the original network and interpreted there. We begin by identifying a broad and important class of complex networks which admit vulnerability-preserving, finite state abstractions, and develop efficient algorithms for computing these abstractions. We then propose a vulnerability analysis methodology which combines these finite state abstractions with formal analytics from theoretical computer science to yield a comprehensive vulnerability analysis process for networks of realworld scale and complexity. The potential of the proposed approach is illustrated with a case study involving a realistic electric power grid model and also with brief discussions of biological and social network examples.

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Image segmentation is one of the most important and difficult tasks in digital image processing. It represents a key stage of automated image analysis and interpretation. Segmentation algorithms for gray-scale images utilize basic properties of intensity values such as discontinuity and similarity. However, it is possible to enhance edge-detection capability by means of using spectral information provided by multispectral (MS) or hyperspectral (HS) imagery. In this paper we consider image segmentation algorithms for multispectral images with particular emphasis on detection of multi-color or multispectral edges. More specifically, we report on an algorithm for joint spatio-spectral (JSS) edge detection. By joint we mean simultaneous utilization of spatial and spectral characteristics of a given MS or HS image. The JSS-based edge-detection approach, termed Spectral Ratio Contrast (SRC) edge-detection algorithm, utilizes the novel concept of matching edge signatures. The edge signature represents a combination of spectral ratios calculated using bands that enhance the spectral contrast between the two materials. In conjunction with a spatial mask, the edge signature give rise to a multispectral operator that can be viewed as a three-dimensional extension of the mask. In the extended mask, the third (spectral) dimension of each hyper-pixel can be chosen independently. The SRC is verified using MS and HS imagery from a quantum-dot in a well infrared (IR) focal plane array, and the Airborne Hyperspectral Imager.

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In ductile metals, sliding contact is often accompanied by severe plastic deformation localized to a small volume of material adjacent to the wear surface. During the initial run-in period, hardness, grain structure and crystallographic texture of the surfaces that come into sliding contact undergo significant changes, culminating in the evolution of subsurface layers with their own characteristic features. Here, a brief overview of our ongoing research on the fundamental phenomena governing the friction-induced recrystallization in single crystal metals, and how these recrystallized structures with nanometer-size grains would in turn influence metallic friction will be presented. We have employed a novel combination of experimental tools (FIB, EBSD and TEM) and an analysis of the critical resolved shear stress (RSS) on the twelve slip systems of the FCC lattice to understand the evolution of these friction-induced structures in single crystal nickel. The later part of the talk deals with the mechanisms of friction in nanocrystalline Ni films. Analyses of friction-induced subsurfaces seem to confirm that the formation of stable ultrafine nanocrystalline layers with 2-10 nm grains changes the deformation mechanism from the traditional dislocation mediated one to that is predominantly controlled by grain boundaries, resulting in significant reductions in the coefficient friction.

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The Wind and Water Power Program supports the development of marine and hydrokinetic devices, which capture energy from waves, tides, ocean currents, the natural flow of water in rivers, and marine thermal gradients, without building new dams or diversions. The program works closely with industry and the Department of Energy's national laboratories to advance the development and testing of marine and hydrokinetic devices. In 2008, the program funded projects to develop and test point absorber, oscillating wave column, and tidal turbine technologies. The program also funds component design, such as techniques for manufacturing and installing coldwater pipes critical for ocean thermal energy conversion (OTEC) systems. Rigorous device testing is necessary to validate and optimize prototypes before beginning full-scale demonstration and deployment. The program supports device testing by providing technology developers with information on testing facilities. Technology developers require access to facilities capable of simulating open-water conditions in order to refine and validate device operability. The program has identified more than 20 tank testing operators in the United States with capabilities suited to the marine and hydrokinetic technology industry. This information is available to the public in the program's Hydrodynamic Testing Facilities Database. The program also supports the development of open-water, grid-connected testing facilities, as well as resource assessments that will improve simulations done in dry-dock and closed-water testing facilities. The program has established two university-led National Marine Renewable Energy Centers to be used for device testing. These centers are located on coasts and will have open-water testing berths, allowing researchers to investigate marine and estuary conditions. Optimal array design, development, modeling and testing are needed to maximize efficiency and electricity generation at marine and hydrokinetic power plants while mitigating nearby and distant impacts. Activities may include laboratory and computational modeling of mooring design or research on device spacing. The geographies, resources, technologies, and even nomenclature of the U.S. marine and hydrokinetic technology industry have yet to be fully understood or defined. The program characterizes and assesses marine and hydrokinetic devices, and then organizes the collected information into a comprehensive and searchable Web-based database, the Marine and Hydrokinetic Technology Database. The database, which reflects intergovernmental and international collaboration, provides industry with one of the most comprehensive and up-to-date public resources on marine and hydrokinetic devices.

The aerodynamic performance and aeroacoustic noise sources of a rotor employing flatback airfoils have been studied in field test campaign and companion modeling effort. The field test measurements of a sub-scale rotor employing nine meter blades include both performance measurements and acoustic measurements. The acoustic measurements are obtained using a 45 microphone beamforming array, enabling identification of both noise source amplitude and position. Semi-empirical models of flatback airfoil blunt trailing edge noise are developed and calibrated using available aeroacoustic wind tunnel test data. The model results and measurements indicate that flatback airfoil noise is less than drive train noise for the current test turbine. It is also demonstrated that the commonly used Brooks, Pope, and Marcolini model for blunt trailing edge noise may be over-conservative in predicting flatback airfoil noise for wind turbine applications.

Prior work on active aerodynamic load control (AALC) of wind turbine blades has demonstrated that appropriate use of this technology has the potential to yield significant reductions in blade loads, leading to a decrease in wind cost of energy. While the general concept of AALC is usually discussed in the context of multiple sensors and active control devices (such as flaps) distributed over the length of the blade, most work to date has been limited to consideration of a single control device per blade with very basic Proportional Derivative controllers, due to limitations in the aeroservoelastic codes used to perform turbine simulations. This work utilizes a new aeroservoelastic code developed at Delft University of Technology to model the NREL/Upwind 5 MW wind turbine to investigate the relative advantage of utilizing multiple-device AALC. System identification techniques are used to identify the frequencies and shapes of turbine vibration modes, and these are used with modern control techniques to develop both Single-Input Single-Output (SISO) and Multiple-Input Multiple-Output (MIMO) LQR flap controllers. Comparison of simulation results with these controllers shows that the MIMO controller does yield some improvement over the SISO controller in fatigue load reduction, but additional improvement is possible with further refinement. In addition, a preliminary investigation shows that AALC has the potential to reduce off-axis gearbox loads, leading to reduced gearbox bearing fatigue damage and improved lifetimes.

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A NISAC study on the economic effects of a hypothetical H1N1 pandemic was done in order to assess the differential impacts at the state and industry levels given changes in absenteeism, mortality, and consumer spending rates. Part of the analysis was to determine if there were any direct relationships between pandemic impacts and gross domestic product (GDP) losses. Multiple regression analysis was used because it shows very clearly which predictors are significant in their impact on GDP. GDP impact data taken from the REMI PI+ (Regional Economic Models, Inc., Policy Insight +) model was used to serve as the response variable. NISAC economists selected the average absenteeism rate, mortality rate, and consumer spending categories as the predictor variables. Two outliers were found in the data: Nevada and Washington, DC. The analysis was done twice, with the outliers removed for the second analysis. The second set of regressions yielded a cleaner model, but for the purposes of this study, the analysts deemed it not as useful because particular interest was placed on determining the differential impacts to states. Hospitals and accommodation were found to be the most important predictors of percentage change in GDP among the consumer spending variables.

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Nanowires based on the III nitride materials system have attracted attention as potential nanoscale building blocks in optoelectronics, sensing, and electronics. However, before such applications can be realized, several challenges exist in the areas of controlled and ordered nanowire synthesis, fabrication of advanced nanowire heterostructures, and understanding and controlling the nanowire electrical and optical properties. Here, recent work is presented involving the aligned growth of GaN and III-nitride core-shell nanowires, along with extensive results providing insights into the nanowire properties obtained using advanced electrical, optical and structural characterization techniques.

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The Fiber Optic Intrusion Detection System (FOIDS)1 is a physical security sensor deployed on fence lines to detect climb or cut intrusions by adversaries. Calibration of detection sensitivity can be time consuming because, for example, the FiberSenSys FD-332 has 32 settings that can be adjusted independently to provide a balance between a high probability of detection and a low nuisance alarm rate. Therefore, an efficient method of calibrating the FOIDS in the field, other than by trial and error, was needed. This study was conducted to: x Identify the most significant settings for controlling detection x Develop a way of predicting detection sensitivity for given settings x Develop a set of optimal settings for validation The Design of Experiments (DoE) 2-4 methodology was used to generate small, planned test matrixes, which could be statistically analyzed to yield more information from the test data. Design of Experiments is a statistical methodology for quickly optimizing performance of systems with measurable input and output variables. DoE was used to design custom screening experiments based on 11 FOIDS settings believed to have the most affect on WKH types of fence perimeter intrusions were evaluated: simulated cut intrusions and actual climb intrusions. Two slightly different two-level randomized fractional factorial designed experiment matrixes consisting of 16 unique experiments were performed in the field for each type of intrusion. Three repetitions were conducted for every cut test; two repetitions were conducted for every climb test. Total number of cut tests analyzed was 51; the total number of climb tests was 38. This paper discusses the results and benefits of using Design of Experiments (DoE) to calibrate and optimize the settings for a FOIDS sensor

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We present a newly developed microsystem enabled, back-contacted, shade-free GaAs solar cell. Using microsystem tools, we created sturdy 3 {micro}m thick devices with lateral dimensions of 250 {micro}m, 500 {micro}m, 1 mm, and 2 mm. The fabrication procedure and the results of characterization tests are discussed. The highest efficiency cell had a lateral size of 500 {micro}m and a conversion efficiency of 10%, open circuit voltage of 0.9 V and a current density of 14.9 mA/cm{sup 2} under one-sun illumination.

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This work simulated the response of idealized isotopic U-235, U-238, Th-232, and Pu-239 mediums to photonuclear activation with various photon energies. These simulations were conducted using MCNPX version 2.6.0. It was found that photon energies between 14-16 MeV produce the highest response with respect to neutron production rates from all photonuclear reactions. In all cases, Pu-239 responds the highest, followed by U-238. Th-232 produces more overall neutrons at lower photon energies then U-235 when material thickness is above 3.943 centimeters. The time it takes each isotopic material to reach stable neutron production rates in time is directly proportional to the material thickness and stopping power of the medium, where thicker mediums take longer to reach stable neutron production rates and thinner media display a neutron production plateau effect, due to the lack of significant attenuation of the activating photons in the isotopic mediums. At this time, no neutron sensor system has time resolutions capable of verifying these simulations, but various indirect methods are possible and should be explored for verification of these results.