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Neutronic analysis of a PWR-type SMR core using duplex ThO{sub 2}-UO{sub 2} in TRISO fuel particles

Currently, studies on small modular reactors (SMRs) present an important development due to the potential they represent in terms of safety, operational flexibility, economy, and non-energy applications. Furthermore, there is increasing interest in studying the use of thorium as fuel, as an effective way to solve problems such as the shortage of uranium reserves, reduction of nuclear waste and nuclear proliferation. Also, the use of thorium combined with highly enriched uranium TRISO particles has been studied, showing proper performance. In this work, the concept of ThO{sub 2}-UO{sub 2} duplex fuel is used, for the core configuration of a PWR type SMR that uses TRISO fuel, designed to achieve extended fuel cycles. Three distribution cases of ThO{sub 2} and UO{sub 2} in TRISO particles inside the fuel rods are compared. First, particles composed by a homogeneous mixture of ThO{sub 2} and UO{sub 2} are distributed inside of fuel elements. Second, the fuel zone of the fuel elements is divided into two radially, an internal one where the TRISO particles composed of ThO{sub 2} are distributed and the external one where the TRISO particles composed of UO{sub 2} are distributed. The third case is like the previous one, except that the particles that contain UO{sub 2} are distributed in the inner zone and those that contain ThO{sub 2} in the outer zone of the fuel elements. The comparison of the cases is carried out in terms of cycle main isotopes' mass transmutation, power distribution and temperature reactivity coefficients. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Polymorphous nature of cubic halide perovskites

Many common crystal structures can be described by a single (or very few) repeated structural motif (“monomorphous structures”) such as octahedron in cubic halide perovskites. Interestingly, recent accumulated evidence suggests that electronic structure calculations based on such macroscopically averaged monomorphous cubic ($\textit{Pm} – 3m$) halide perovskites obtained from x-ray diffraction, show intriguing deviations from experiment. These include systematically too small band gaps, dielectric constants dominated by the electronic, negative mixing enthalpy of alloys, and significant deviations from the measured pair distribution function. We show here that a minimization of the systems $\textit{T}$ = 0 internal energy via density functional theory reveals a distribution of different low-symmetry local motifs, including tilting, rotations, and B-atom displacements (“polymorphous networks”). This is found only if one allows for larger-than-minimal cell size that does not geometrically exclude low symmetry motifs. As the (super) cell size increases, the energy is lowered relative to the monomorphous cell, and stabilizes after ~32 formula units (≥160 atoms) are included. Being a result of nonthermal energy minimization in the internal energy without entropy, this correlated set of displacements must represent the intrinsic geometry preferred by the underlying chemical bonding (lone pair bonding), and as such has a different origin than the normal, dynamic thermal disorder modeled by molecular dynamics. Indeed, the polymorphous network, not the monomorphous ansatz, is the kernel structure from which high temperature thermal agitation develops. The emerging physical picture is that the polymorphous network has an average structure with high symmetry, yet the local structural motifs have low symmetries. In this work we find that, compared with monomorphous counterparts, the polymorphous networks have significantly lower predicted total energies, larger band gaps, and ionic dominated dielectric constants, and agree much more closely with the observed pair distribution functions. An analogous polymorphous situation is found in the paraelectric phase of a few cubic oxide perovskites where local polarization takes the role of local displacements in halide perovskites, and in the paramagnetic phases of a few 3 d oxides where the local spin configuration takes that role.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Optimization of Thermal Conductance at Interfaces Using Machine Learning Algorithms

We report optimization of thermal transport across the interface of two different materials is critical to micro-/nanoscale electronic, photonic, and phononic devices. Although several examples of compositional intermixing at the interfaces having a positive effect on interfacial thermal conductance (ITC) have been reported, an optimum arrangement has not yet been determined because of the large number of potential atomic configurations and the significant computational cost of evaluation. On the other hand, computation-driven materials design efforts are rising in popularity and importance. Yet, the scalability and transferability of machine learning models remain as challenges in creating a complete pipeline for the simulation and analysis of large molecular systems. In this work we present a scalable Bayesian optimization framework, which leverages dynamic spawning of jobs through the Message Passing Interface (MPI) to run multiple parallel molecular dynamics simulations within a parent MPI job to optimize heat transfer at the silicon and aluminum (Si/Al) interface. We found a maximum of 50% increase in the ITC when introducing a two-layer intermixed region that consists of a higher percentage of Si. Because of the random nature of the intermixing, the magnitude of increase in the ITC varies. We observed that both homogeneity/heterogeneity of the intermixing and the intrinsic stochastic nature of molecular dynamics simulations account for the variance in ITC.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DED Additively Manufactured HEAs Optimized via Parametric Study of Functionally Graded Materials

Complex concentrated alloys (CCAs) are a system of alloys composition of nearly equiatomic elements, creating a state of high configurational entropy in the material. These alloys are of interest for various industrial applications due to their high strength and hardness, wide operational temperature range, creep and diffusion resistance, and radiation resistance. In the current work CoCrFeNi-base CCAs are synthesize by combining three commonly industrial alloys: IN718, SS316L, and 70Co30Cr (commercially known as Stellite 21), in-situ utilizing directed energy deposition (DED) additive manufacturing (AM). One bulk specimen is fabricated with a 1:1:1 ratio of IN718, SS316L, and 70Co30Cr where IN718 is a source of nickel and chrome, SS316 is a source of iron and chrome, and 70Co30Cr is a source of cobalt and supplemental chrome. Additionally, a functionally graded material (FGM) of the identified CCA system from SS316 was fabricated with 10 layers, where the initial five layers are the base material of SS316L and graded by steps of 20% to transition to the CCA system. Overall build quality, microstructure, compositional distribution, phases analysis, and microhardness were studied by laser optical microscopy, scanning election microscopy (SEM), energy dispersive spectroscopy (EDS), X-ray diffraction analysis (XRD), and Vickers microhardness techniques. Overall build quality showed a successful bulk build with acceptable density, however unmelted particles are observed in the as-built alloy. Compositional results show that the system meets the Boltzmann’s hypothesis definition of an HEA, and that an FCC CCA was produced with increased hardness, small grain size, and superior hardness properties to the SS316L substrate. While initial XRD results show predominately FCC structure, EDS analysis of interdendritic regions show the existence of Laves phases in the material. The fabrication of an FGM CCA allowed for potential screening of additional alloy mixes which may be of interest to explore in future research, and the resulting composition is compared to predicted values. This novel method of CCA fabrication results in substantial cost savings of these CCA systems over traditional methods.

36 MATERIALS SCIENCE↗

The OFP-6M transport jet

This report presents a preliminary design of a commercial jet transport that meets the criteria of the Request For Proposal presented by the American Institute of Aeronautics and Astronauts (AIAA). The proposal requires an innovative design of a low cost domestic commercial transport that will reduce operating costs for airline companies while still meeting present and future requirements of the Federal Aviation Regulations for this type of aircraft. Specifications for the design include a mixed class, 153 passenger aircraft, traveling a range of 3000 nm. The intent of the project is to identify factors that reduce cost and to design within the limits of these constraints. The project includes techniques or options that incorporate new technologies but do not override practicality, alternative design approaches, and a comparison between the new design and current aircraft in its class. The OFP-6M is an alternative design approach to the conventional commercial transport jet and is geared towards customer satisfaction through efficiency and reliability. The goals of the OFP-6M transport design are to provide original, sensible, and practical solutions by combining essential preliminary design factors with growing technology. The design focus of the OFP-6M reduces costs by simplifying systems where significant weight or maintenance savings can be achieved, and by integrating advanced technology for improved performance. Key aspects of the OFP-6M design are efficient use of materials like composites, and efficient advanced ducted high bypass turbofan engines. The high bypass engines lower fuel consumption and aid in reducing costs and meeting future noise emission restrictions. Composites are used for most structural components, including flooring and wing box. Although composites are an emerging technology and presently, a high maintenance material, they can be cost effective and an alternative to aluminum structures when correct manufacturing and design strategies are applied. Since, composites are lighter and require less manufacturing of complex parts, they can significantly reduce structural weight. Because of the large 17 ft. diameter, sophisticated aerodynamic considerations were implemented to significantly lower the drag. Supercritical airfoils were chosen with simple control surface design which allows for less maintenance and manufacturing costs. The interior configuration accommodates either all passenger, dual and single class flights or complete cargo. Also, a relaxed conventional stability is integrated with a stability augmentation system. As a result of these design implementations, the OFP-6M bottom line direct operating costs, compare favorably with the Boeing 737 and 757, at 3.49 cents per available seat mile and costs are expected to reduce when improved manufacturing and maintenance methods are implemented.

Alexander, Kelly↗

Oxygen Electrocatalysis on Mixed-Metal Oxides/Oxyhydroxides: From Fundamentals to Membrane Electrolyzer Technology

Catalyzing the oxygen evolution reaction (OER) is important for key energy-storage technologies, particularly water electrolysis and photoelectrolysis for hydrogen fuel production. Under neutral-to-alkaline conditions, first-row transition-metal oxides/(oxy)hydroxides are the fastest-known OER catalysts and have been the subject of intense study for the past decade. Critical to their high performance is the intentional or accidental addition of Fe to Ni/Co oxides that convert to layered (oxy)hydroxide structures during the OER. Unraveling the role that Fe plays in the catalysis and the molecular identity of the true “active site” has proved challenging, however, due to the dynamics of the host structure and absorbed Fe sites as well as the diversity of local structures in these disordered active phases. In this Account, we highlight our work to understand the role of Fe in Ni/Co (oxy)hydroxide OER catalysts. We first discuss how we characterize the intrinsic activity of the first-row transition-metal (oxy)hydroxide catalysts as thin films by accounting for the contributions of the catalyst-layer thickness (mass loading) and electrical conductivity as well as the underlying substrate’s chemical interactions with the catalyst and the presence of Fe species in the electrolyte. We show how Fe-doped Ni/Co (oxy)hydroxides restructure during catalysis, absorb/desorb Fe, and in some cases degrade or regenerate their activity during electrochemical testing. We highlight the relevant techniques and procedures that allowed us to better understand the role of Fe in activating other first-row transition metals for OER. We find several modes of Fe incorporation in Ni/Co (oxy)hydroxides and show how those modes correlate with activity and durability. We also discuss how this understanding informs the incorporation of earth-abundant transition-metal OER catalysts in anion-exchange-membrane water electrolyzers (AEMWE) that provide a locally basic anode environment but run on pure water and have advantages over the more-developed proton-exchange-membrane water electrolyzers (PEMWE) that use platinum-group-metal (PGM) catalysts. We outline the key issues of introducing Fe-doped Ni/Co (oxy)hydroxide catalysts at the anode of the AEMWE, such as the oxidative processes triggered by Fe species traveling through the polymer membrane, pH-gradient effects on the catalyst stability, and possibly limited catalyst utilization in the compressed stack configuration. We also suggest possible mitigation strategies for these issues. Lastly, we summarize remaining challenges including the long-term stability of Fe-doped Ni/Co (oxy)hydroxides under OER conditions and the lack of accurate models of the dynamic active surface that hinder our understanding of, and thus ability to design, these catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Relating a Spectral Index from MODIS and Tower-based Measurements to Ecosystem Light Use Efficiency for a Fluxnet-Canada Coniferous Forest

As part of the North American Carbon Program effort to quantify the terrestrial carbon budget of North America, we have been examining the possibility of retrieving ecosystem light use efficiency (LUE, the carbon sequestered per unit photosynthetically active radiation) directly from satellite observations. Our novel approach has been to compare LUE derived from tower fluxes with LUE estimated using spectral indices computed from MODIS satellite observations over forests in the Fluxnet-Canada Research Network, using the MODIS narrow ocean bands acquired over land. We matched carbon flux data collected around the time of the MODIS mid-day overpass for over one hundred relatively clear days in five years (2001-2006) from a mature Douglas fir forest in British Columbia. We also examined hyperspectral reflectance data collected diurnally from the tower in conjunction with the eddy correlation fluxes and meteorological measurements made throughout the 2006 growing season at this site. The tower-based flux data provided an opportunity to examine diurnal and seasonal LUE processes and their relationship to spectral indices at the scale of the forest stand. We evaluated LUE in conjunction with the Photochemical Reflectance Index (PRI), a normalized difference spectral index that uses 531 nm and a reference band to capture responses to high light induced stress afforded by the xanthophyll cycle. Canopy structure information, retrieved from airborne laser scanning radar (LiDAR) observations, was used to partition the forest canopy into sunlit and shaded fractions throughout the day, on numerous days during 2006. At each observation period throughout a day, the PRI was examined for the sunlit, shaded, and intermediate canopy segments defined by their instantaneous position relative to the solar principal plane (SPP). The sunlit sector was associated with the illumination "hotspot" (the reflectance backscatter maximum), the shaded sector with the "cold or dark spot" (the reflectance forward scatter minimum), while the intermediate, mixed sunlit/shade sector was located in the cross-plane to the SPP. The PRI indices clearly captured the differences in leaf groups, with sunlit foliage exhibiting the lowest values on sunny days throughout the 2006 season. When tower-based canopy-level LUE was recalculated to estimate foliage-based values (LUE(sub foilage) for the three foliage groups under their incident light environments, a strong linear relationship for PRI:LUE(sub foilage) was demonstrated (0.6 less than or equal to r(sup 2) less than or equal to 0.8, n=822, P<0.0001). The MODIS data represent relatively large areas when acquired at nadir (approx.1 sq km) or at variable off-nadir view angles (greater than or equal to 1 sq km) looking forward or aft. Nevertheless, a similar relationship between MODIS PRI and tower-based LUE was obtained from satellite observations (r(sup 2) = 0.76, n=105, P= 0.026) when the azimuth offsets from the SPP for off-nadir observations were considered. At this relatively high latitude of 50 degrees, the MODIS directional observations were offset from the SPP by approximately 50 degrees, but still represented backscatter or forward scatter sectors of the bidirectional reflectance distribution function (BRDF). The backscatter observations sampled the sunlit forest and provided lower PRI values, in general, than the forward scatter observations from the shaded forest. Since the hotspot and darkspot were not typically directly observed, the dynamic range for MODIS PRI was less than that observed in the SPP at the canopy level; therefore, MODIS PRI values were more similar to those observed in sifu in the BRDF cross-plane. While not ideal in terms of spatial resolution or optimal viewing configuration, the MODIS observations nevertheless provide a means to monitor forest under stress using narrow spectral band indices and off-nadir observations. This research has stimulated several spin-off studies for remote sensinf LUE, and demonstrates the importance of the connection between ecosystem structure and physiological function.

Middleton, Elizabeth M.↗

Precision Oxygen Isotope Measurements of Two C-Rich Hydrated Interplanetary Dust Particles

Introduction: Chondritic-smooth IDPs (Interplanetary Dust Particles) are low porosity objects whose mineralogy is dominated by aqueous alteration products such as Mg-rich phyllosilicates (smectite and serpentine group) and Mg-Fe carbonate minerals. Their hydrated mineralogy combined with low atmospheric entry velocities have been used to infer an origin largely from asteroidal sources. Spectroscopic studies show that the types and abundance of organic matter in CS IDPs is similar to that in CP IDPs. Although CS IDPs show broad similarities to primitive carbonaceous chondrites, only a few particles have been directly linked to specific meteorite groups such as CM and CI chondrites based on the presence of diagnostic minerals. Many CS IDPs however, have carbon contents that greatly exceed that of known meteorite groups suggesting that they either may derive from comets or represent samples of more primitive parent bodies than do meteorites. It is now recognized that many large, dark primitive asteroids in the outer main belt, as well as some trans-Neptunian objects, show spectroscopic evidence for aqueous alteration products on their surfaces. Some CS IDPs exhibit large bulk D enrichments similar to those observed in the cometary CP IDPs. While hydrated minerals in comets have not been unambiguously identified to date, the presence of the smectite group mineral nontronite has been inferred from infrared spectra obtained from the ejecta from comet 9P/Tempel 1 during the Deep Impact mission. Recent observations of low temperature sulfide minerals in Stardust mission samples suggest that limited aqueous activity occurred on comet Wild-2. All of these observations, taken together, suggest that the high-carbon hydrated IDPs are abundant and important samples of primitive solar system objects not represented in meteorite collections. Oxygen isotopic compositions of chondrites reflect mixing between a 16O-rich reservoir and a 17O,18O-rich reservoir produced via mass-independent fractionation. The composition of the 16O-rich reservoir is well constrained but material representing the 17O,18O-rich end-member is rare. Self-shielding models predict that cometary water, presumed to represent this reservoir, should be enriched in 17O and 18O by greater than 200 per mille. The high-carbon hydrated IDPs may be among the best materials available to search for preserved "cometary" H2O signatures. In order to better understand the origin and evolution of these particles, we have obtained 10 hydrated interplanetary dust particles for coordinated mineralogical, isotopic and organic analyses. We have previously reported the results of mineralogical and O isotopic measurements of two hydrated IDPs; here we present results of O isotopic measurements of three additional IDPs. Samples and Methods: Three interplanetary dust particles (L2079C35, L2083D46 and L2083E46) were embedded in S and partially ultramicrotomed into approximately 70 nanometer sections for analysis via transmission electron microscopy (TEM). The remainders of the unsliced particles were removed from S and pressed into high purity Au foil that was cleaned with HF acid and annealed at 800 degrees Centigrade. The pressed IDPs were analyzed via electron microprobe analysis (EPMA) for quantitative bulk chemical analysis. After EPMA analysis, the IDPs were subjected to precision O isotope analysis with the UCLA Cameca IMS-1270 ion probe. A 20 kiloelectronvolt, 0.5 nanoangstrom Cs+ primary beam of approximately 15 micrometers diameter was used for each measurement. Small particles of San Carlos olivine and Burma spinel were pressed into the Au foil for use as standards to correct for instrumental mass fractionation. The detection system was configured for multicollection, with 16O measured on a Faraday cup, and 17O and 18O measured on electron multipliers (EMs). Individual analyses consisted of 15 cycles of 10 seconds per cycle. Additionally, two microtome thin sections were measured for H isotopic compositions with the JSC NanoSIMS 50L ion probe. An 8 picoangstrom, 16 kiloelectronvolt Cs plus primary beam was used. Measurements consisted of H, C, 12C, 16O, and 18O collected with EMs in multicollection. Terrestrial biotite and kerogen were used for isotopic standards. A significant challenge in O isotope measurement of hydrated minerals is the interference from 16OH at mass 17O. We ensured that the 17O and 16OH peaks were fully resolved by using a mass resolution of greater than 7000 and by careful analyses of San Carlos olivine, Burma spinel and chlorite hydrated mineral standards. The hydride was further suppressed with a cold finger attached to an LN2 dewar to trap volatiles in the sample chamber. All sputtered ions were counted (i.e. presputtering was not used); after applying background, yield and deadtime corrections, we performed a change-point analysis on our data via R in order to determine when the sample reached sputtering equilibrium; data points collected prior to the change point were excluded. Change-point analysis was also used to determine whether the IDP had completely sputtered. Results: Mineralogy. IDPs C35 and E46 exhibited hydrated mineralogies, Fe-Ni sulfide grains, nanoglobules and occasional enstatite grains distributed throughout a fine-grained Mg-Fe saponite matrix. C35 also contained breunnerite (Mg,Fe)CO3; solar flare tracks were observed in enstatite, indicating minimal atmospheric entry heating. The mineralogy of D46 is dominated by a large FeS grain with a minor component of adhering silicate material. D46 was strongly heated during atmorpheric entry as evidenced by a well-developed magnetite rim. EPMA analyses show that both C35 and E46 have high carbon contents of 20 weight percentage (approximately 6X CI). D46 contains approximately 6 wt.weight percentage C. A significant amount of the carbon is present as carbon nanoglobules. Results: Hydrogen isotopes: Although the bulk delta D values of both sections of L2079C35 were within error of SMOW (minus 33 plus or minus 19 per mille, 1 plus or minus 14 per mille 1 sigma), several delta D-rich hotspots were also identified, reaching 2000 per mille. As shown in Fig. 1, these hotspots are clearly associated with discrete carbonaceous inclusions that are akin to nanoglobules found in many meteorites and other IDPs. Oxygen Isotopes. Results of the oxygen isotope measurements are shown in Figure 1. The oxygen isotope composition for L2079C35 was delta 18O equals plus11.6 plus or minus 1.9per mille, delta 17O equals plus 7.9 plus or minus 1.9per mille (2 standard errors). The oxygen isotope composition for L2083D46 was delta 18O equals minus 8.1 plus or minus 1.9 per mille, delta 17O equals minus 6.4 plus or minus 3.1 per mille (2 standard errors). The oxygen isotope composition for L2083E46 was delta 18O equals plus 12.0 plus or minus 1.9 per mille, delta 17O equals plus 9.2 plus or minus 2.0 per mille (2 standard errors). Discussion: Despite mineralogical similarities to highly aqueously altered carbonaceous chondrites, the hydrated IDPs we analyzed have oxygen isotopic compositions that are distinct from matrix materials in the CI, CM, and CR chondrites. The IDPs plot along the Young-Russell line, with delta 17O values for C35 and E46 suggestive of interaction with a 16O-poor reservoir. However, we have thus far not observed evidence of extreme 16O-poor reservoirs expected from self-shielding models and observed in Acfer 094 simplectite. The high carbon contents of the IDPs also set them apart from known meteoritic samples. The lack of atmospheric entry heating effects are consistent with low encounter velocities and suggest either an asteroidal source, or a low inclination, low eccentricity cometary origin. Conclusions: The unusual oxygen isotopic compositions, high carbon contents, and the abundance of Drich nanoglobules, together, suggest that the high-carbon, hydrated IDPs are derived from a primitive source that is not yet represented in meteorite collections.

Snead, C. J.↗

Simulation Technology at NASA

NASA Ames Research Center is home to several high-fidelity research flight and air-traffic control simulation facilities which, together with an experienced workforce, produce high-quality research data and findings that have proven to be applicable in the real world. These assets include the Vertical Motion Simulator (VMS), Crew Vehicle Systems Research Facility (CVSRF), Future Flight Central (FFC) air traffic control tower simulator, and several air-traffic control (ATC) simulators. The VMS combines a high-fidelity simulation capability with an adaptable simulation environment, enabling customization for numerous human-in-the-loop research applications. The distinctive feature of the VMS is its unparalleled large amplitude, high-fidelity motion capability. In over 30 years of continuous operation, the VMS has contributed significantly to the body of knowledge in a range of disciplines directly benefiting several aerospace programs and flight safety, including the design and development of flight control systems for the Joint Strike Fighter, Space Shuttle Orbiter, and rotorcraft. It continues to be used for researching new vehicle configurations, vehicle control and safety, transfer-of-training, etc., by NASA, other government agencies, and Industry.The CVSRF includes two motion-based flight simulators: a Boeing 747-400 full flight simulator and the reconfigurable Advanced Concepts Flight Simulator (ACFS). These simulators are primarily used to research air-traffic management concepts and procedures, advanced navigation and avionics concepts, and cockpit human factors. FFC is a full-sized control tower simulator with a 360-degree external field-of-view display system and reconfigurable system architecture. FFC and the ATC simulators are used for testing air-traffic management automation and decision support tools and demonstrate their feasibility in a realistic environment prior to technology transfer for implementation in the National Airspace System (NAS).To support integrated simulations and flight-tests for NASA's Unmanned Aircraft Systems (UAS) in the National Airspace System (NAS) Project, NASA developed a distributed test environment incorporating Live, Virtual, Constructive, (LVC) concepts. Development of the software enabling the LVC is conducted primarily at the Distributed Simulation Research Lab (DSRL) at NASA Ames. The LVC components provide the core infrastructure supporting simulation of UAS operations by integrating live and virtual aircraft in a realistic air traffic environment. This provides the ability to conduct tests more efficiently by promoting the use of existing distributed assets. The LVC infrastructure was used in several human-in-the-loop simulations to evaluate acceptance of Detect and Avoid (DAA) advisories used by UAS pilots to maintain well clear of other virtual traffic and to negotiate maneuvers with air traffic control. It is currently being used to support testing of self-separation algorithms between unmanned and manned aircraft in live flight. Further simulations with more comprehensive air traffic scenarios mixing live and virtual aircraft is planned.In the current fiscal environment, maintaining and upgrading these high-fidelity simulation assets and retaining the skilled workforce necessary to meet future research needs is the primary non-technical challenge.

CVSRF↗

Computational Modeling to Limit the Impact Displays and Indicator Lights Have on Habitable Volume Operational Lighting Constraints

NASA has demonstrated an interest in improving astronaut health and performance through the installment of a new lighting countermeasure on the International Space Station. The Solid State Lighting Assembly (SSLA) system is designed to positively influence astronaut health by providing a daily change to light spectrum to improve circadian entrainment. Unfortunately, existing NASA standards and requirements define ambient light level requirements for crew sleep and other tasks, yet the number of light-emitting diode (LED) indicators and displays within a habitable volume is currently uncontrolled. Because each of these light sources has its own unique spectral properties, the additive lighting environment ends up becoming something different from what was planned or researched. Restricting the use of displays and indicators is not a solution because these systems provide beneficial feedback to the crew. The research team for this grant used computer-based computational modeling and real-world lighting mockups to document the impact that light sources other than the ambient lighting system contribute to the ambient spectral lighting environment. In particular, the team was focused on understanding the impacts of long-term tasks located in front of avionics or computer displays. The team also wanted to understand options for mitigating the changes to the ambient light spectrum in the interest of maintaining the performance of a lighting countermeasure. The project utilized a variety of physical and computer-based simulations to determine direct relationships between system implementation and light spectrum. Using real-world data, computer models were built in the commercially available optics analysis software Zemax Optics Studio(c). The team also built a mockup test facility that had the same volume and configuration as one of the Zemax models. The team collected over 1200 spectral irradiance measurements, each representing a different configuration of the mockup. Analysis of the data showed a measurable impact on ambient light spectrum. This data showed that obvious design techniques exist that can be used to bind the ambient light spectrum closer to the planned spectral operating environment for the observer's eye point. The following observations should be considered when designing an operational environment that is dominated by computer displays. When more light is directed into the field of view of the observer, the greater the impact it will make on various human factors issues that depend on spectral shape and intensity. Because viewing angle has a large part to play in the amount of light flux on the crewmember's retina, beam shape, combined with light source location is an important factor for determining percent probable incident flux on the observer from any combination of light sources. Computer graphics design and display lumen output are major factors influencing the amount of spectrally intense light projected into the environment and in the viewer's direction. Use of adjustable white point display software was useful only if the predominant background color was white and if it matched the ambient light system's color. Display graphics that used a predominantly black background had the least influence on unplanned spectral energy projected into the environment. Percent reflectance makes a difference in total energy reflected back into an environment, and within certain architectural geometries, reflectance can be used to control the amount of a light spectrum that is allowed to perpetuate in the environment. Data showed that room volume and distance from significant light sources influence the total spectrum in a room. Smaller environments had a homogenizing effect on total light spectrum, whereas light from multiple sources in larger environments was less mixed. The findings indicated above should be considered when making recommendations for practice or standards for architectural systems. The ambient lighting system, surface reflectance, and display and indicator implementation all factor into the users' spectral environment. A variety of low-cost solutions exist to mitigate the impact of light from non-architectural lighting systems, and much potential for system automation and integration of display systems with the ambient environment. This team believes that proper planning can be used to avoid integration problems and also believes that human-in-the-loop evaluations, real-world test and measurement, and computer modeling can be used to determine how changes to a process, display graphics, and architecture will help maintain the planned spectral operating lighting environment.

Clark, T. A.↗

Hanford Waste Treatment Plant Effluent Management Facility Stack Effluent Monitoring: Sampling Probe Location Qualification Evaluation

The Hanford Tank Waste Treatment and Immobilization Plant Effluent Management Facility (EMF) stack monitor location was qualified using a combination of scale model stacks to mitigate the risk of identifying that the sampling location does not meet the qualification criteria on the full-scale stack. The LV-S1 scale model stack was used as a baseline, augmented by the LB-S1 and LV-S2 scale model stacks to address the Direct Feed Low Activity Waste Effluent Management Facility Vessel Vent Process (DVP) injection into the main Active Confinement Ventilation (ACV) system duct. As required by the American National Standards Institute/Health Physics Society (ANSI/HPS) N13.1-1999 standard, the scale model and its sampling locations were geometrically similar to the actual stack, and the Reynolds numbers for both the actual and model stacks were >10,000. An additional criterion is that the product of the hydraulic diameter and mean velocity (DV) of the full-scale stack must be between 1/6 DV and 6 DV of the scale model stack tests. The LV-S1, LB-S1, and LV-S2 scale model stack tests have met the criteria of the ANSI/HPS N13.1-1999 standard to demonstrate the stack sampling locations are well mixed. Verification tests of the EMF stack were performed at normal operating conditions. The minimum 1/6 DV value and the maximum 6 DV value from the scale model testing determine the range of stack flow rates for which the full-scale stack may be operated while remaining in compliance with the stack verification criterion. A practical range for the full-scale stack qualification uses the average DV through 6 DV from the scale model tests to compute the corresponding flow rates. Table S1 lists the operating flow rate along with the average and maximum qualified stack flow rate based on the LV-S1 scale model DV values. The operating flow is below the maximum qualified stack flow, which means that the scale model test results are acceptable for stack qualification. The remaining criteria for the stack verification to be considered valid involve the flow angle and velocity uniformity results. First, the flow angle at the full-scale stack must be ≤20°. Second, the velocity uniformity at the full-scale stack must be ≤20% coefficient of variance (COV). Finally, the velocity uniformity results for the actual and scale model stack tests must agree within 5% COV. These criteria were met through the full-scale stack test at the EMF. Flow angle results were <5°; all flow angle results were within the ≤20° criterion. The velocity uniformity results for each test condition ranged between 2.2% COV and 4.3% COV, all of which were within the range of the target % COV values from the scale model tests on the LV-S1, LB-S1, and LV S2 scale models. Based on these stack verification test results, the EMF filtered exhaust stack sampling location meets the qualification criteria provided in the ANSI/HPS N13.1-1999 standard for all planned fan operating configurations. This includes each combination of ACV fans with DVP exhausters. Further changes to the system configuration or operating conditions that are outside the qualified flow rates described in this report may require additional tests or analyses to determine compliance with the standard.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Jet Evolution Visualized and Quantified Using Filtered Rayleigh Scattering

Filtered Rayleigh scattering was utilized as a flow diagnostic in an investigation of a method for enhancing mixing in supersonic jets. The primary objectives of the study were to visualize the effect of vortex generating tabs on supersonic jets, to exact quantitative data from these planar visualizations, and to detect the presence of secondary flows (i.e., streamwise vorticity) generated by the tabs. An injection seeded frequency-doubled Nd:YAG was the light source and a 14 bit Princeton Instruments iodine charge coupled display (ICCD) camera recorded the image through an iodine cell. The incident wave length of the laser was held constant for each flow case so that the filter absorbed unwanted background light, but permitted part of the thermally broadened Rayleigh scattering light to pas through. The visualizations were performed for axisymmetric jets (D=1.9 cm) operated at perfectly expanded conditions for Mach 1.0, 1.5, and 2.0. All data were recorded for the jet cross section at x/D=3. One hundred instantaneous images were recorded and averaged for each case, with a threshold set to eliminate unavoidable particulate scattering. A key factor in these experiments was that the stagnation air was heated such that the expansion of the flow in the nozzle resulted in the static temperature in the jet being equal to the ambient temperature, assuming isentropic flow. Since the thermodynamic conditions of the flow were approximately the same for each case, increases in the intensity recorded by the ICCD camera could be directly attributed to the Doppler shift, and hence velocity. Visualizations were performed for Mach 1.5 and Mach 2.0 jets with tabs inserted at the nozzle exit. The distortion of the jet was readily apparent and was consistent with Mie scattering-based visualizations. Asymmetry in the intensities of the images indicate the presence of secondary flow patterns which are consistent with the streamwise vortices measured using more traditional diagnostics in subsonic jets with the same tab configurations. Because each tab causes shocks to form, the assumption of isentropic flow is not valid for these cases. However, within a reasonable first-order estimation,the intensity across the illuminated plane for these cases can be related to a value combining density and velocity.

Reeder, Mark F.↗

The NuMI Flux Prediction at ICARUS

The Deep Underground Neutrino Experiment (DUNE) is a next-generation long-baseline neutrino oscillation experiment seeking to probe fundamental symmetries within the structure of the Pontecorvo-Maki-Nakagawa-Sakata (PMNS) mixing matrix, and perform precision measurements its parameters including the neutrino mass ordering via the sign of $\Delta m^2_{31}$, and the charge-parity violating phase, $\delta_{CP}$. To make these measurements with high precision, DUNE will require external $\nu$-Ar scattering cross section data as a crucial input to the oscillation fit. Imaging Cosmic And Rare Underground Signals (ICARUS) is a 476 t liquid argon neutrino detector located at Fermi National Accelerator Laboratory (FNAL) where it is serving as the far detector for the Short-Baseline Neutrino (SBN) program along the Booster Neutrino Beam (BNB) axis. ICARUS additionally lies 795 m downstream and 100.1 mrad off-axis of the Neutrinos at the Main Injector (NuMI) neutrino beam. From this position, ICARUS is exposed to a large flux of NuMI (anti-)electron and (anti-)muon neutrinos, and poses a unique opportunity to provide high-statistics measurements of quasi-elastic and single pion-production cross sections for four neutrino flavors ($\nu_{\mu}$, $\nu_{e}$, $\bar{\nu}_{\mu}$, $\bar{\nu}_{e}$). This dissertation is centered around accurately characterizing the models and estimating their precision for use in making these measurements. This includes identifying major sources of uncertainty in the models such that they can be properly propagated to the cross section measurements. Specifically, this work focused on the model of the NuMI beamline and its impact on the neutrino fluxes, but also delved into the detector response model and its impact on reconstructed observables in the detector. Significant efforts were made to improve the characterization to enhance precision and thus reduce the level of propagated uncertainty. In particular, the NuMI flux was determined to be composed of 57% $\nu_{\mu}$, 38% $\bar{\nu}_{\mu}$, 3% $\nu_{e}$, and 2% $\bar{\nu}_{e}$ while the horns are operating in the positive-particle focusing configuration. The total uncertainty on the $\nu_{\mu} + \bar{\nu}_{\mu}$ ($\nu_{e} + \bar{\nu}_{e}$) flux while operating in the forward horn operating mode was determined to be 10.84% (9.04%). Compared to the on-axis flux, mesons that eventually decay to neutrinos more frequently reinteract within the NuMI structure, resulting in elevated uncertainty as these processes are not well-constrained by existing hadron interaction cross section measurements. Covariance matrices were calculated to propagate the flux uncertainty characterization to NuMI analyses.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Diffusion Flame Extinction in a Low Strain Flow

Diffusion flames are of great interest in fire safety and many industrial processes. Many parameters significantly affect the flame structure, shape and stability, of particular importance are the constraints imposed by geometrical boundaries. Physical boundaries determine the characteristics of the flow, affect heat, fuel, and oxidizer transport from and towards the flame and can act as heat sinks or heat sources. As a result, the existence of a flame, its shape and nature are intimately related to the geometrical characteristics of the environment that surrounds it. The counter-flow configuration provides a constant strain flow, therefore, is ideal to study the structure of diffusion flames. Most studies have concentrated on the high velocity, high strain limit, since buoyantly induced instabilities will disintegrate the planar flame as the velocity decreases. Only recently, experimental studies in micro-gravity conditions have begun to explore the low strain regimes. The main objective of these on-going studies is to determine the effect of radiative heat losses and variable strain on the structure and radiation-induced extinction of diffusion flames. For these programs, size, geometry, and experimental conditions have been chosen to keep the flame unaffected by the physical boundaries. Whether is the burning of condensed or gaseous fuels, for most real situations the boundaries impose a significant effect on the nature of the flame. There is, therefore, a need to better understand the effect that geometrical constraints (i.e. flow nonperpendicular to a fuel surface, heat losses to the boundaries, etc.) might have on the final characteristics of a diffusion flame. Preliminary experiments have shown that, in the absence of gravity, and depending on the distance from the flame to the boundary, three characteristically different regimes can be observed. Close to the boundary, the flame is parabolic, very thin and blue, almost soot-less. Diffusion is the main mechanism controlling fuel transport to the reaction zone, conduction towards the inlets is the main source of heat losses. As the distance increases the flame becomes linear and thickens, remaining blue at the oxidizer side and turning yellow at the fuel side. Here, convection brings fuel and oxidizer together and the reaction occurs in the viscous layer formed between the fuel and oxidizer streams. This region corresponds to the characteristic counter-flow flame where conduction and convection become negligible forms of heat losses and radiation becomes dominant. The flame in the third (mixed) region, between the two others, results from the combination of the scenarios presented above.

Sutula, Jason↗

Predicting the Penetration of a Shielded TPS Tile

All spacecraft are subject to the possibility of high-speed particle impacts during their mission life. In low earth orbit, those impacts could be the result of collisions with pieces of orbital debris or with meteorites. Beyond LEO, and especially beyond GEO, those impacts will likely be caused by meteorites. Such high-speed impacts on spacecraft surfaces create debris clouds that travel towards and eventually impact other downstream spacecraft components. In addition to the impulsive load that such debris clouds would impart to the spacecraft elements with which they subsequently collide, the largest fragment in these debris clouds poses a significant threat on its own to those spacecraft elements. In order to be able to assess the severity of the threat posed by such a fragment, it is important to be able to predict the extent of damage sustained by the impacted spacecraft element. In this paper, we present a new process for determining the penetration depth in a shielded TPS tile system. The requirements for the process were that it be applicable across a full spectrum of impact low velocities (i.e. from ~ 7 km/s to above 50 km/s), that it be applicable over a wide range of projectile materials densities (i.e. ranging from water to steel, for example), and that it be applicable over a wide range of trajectory obliquities (i.e. not just normal impacts). Furthermore, the process developed should be sufficiently flexible so that it can be used for shield design parameter and / or system configuration trade studies (i.e. be written in terms of as many shield and TPS tile system parameters as possible). Following the initial impact of the projectile on the outer wall of the dual-wall shield, a debris cloud (i.e. the primary debris cloud) is created that travels towards and impacts the inner wall of the shield. Within this debris cloud is a combination of solid, liquid, and vaporized material, depending on the impact velocity and the impedance mismatch of the projectile and outer wall materials. The impact of this debris cloud on the inner wall creates another debris cloud (i.e. the secondary debris cloud) that then travels towards and impacts the TPS tile. Within the particulate distribution of the material in each of these debris clouds is a so-called largest fragment. The process used to calculate the penetration depth in a shielded TPS tile system developed herein consists of the following three steps: 1. Does the initial projectile perforate the outer wall of the shield? If NO, the TPS tile remains undamaged. If YES, calculate the size and speed of the largest fragment exiting the outer wall of the shield and traveling towards the shield’s inner wall. 2. Does the largest fragment in the debris cloud exiting the outer wall of the shield perforate the inner wall of the shield? If NO, the TPS tile again remains undamaged. If YES, calculate the size and speed of the largest fragment exiting the rear of the shield inner wall. 3. Calculate the penetration depth of the largest fragment in the debris cloud exiting the inner wall into the TPS. Perforation of the inner and outer shield walls is predicted using the Cour-Palais penetration depth equation and an associated failure criterion [1]. The largest debris cloud fragment diameters and associated velocities are calculated using regression equations developed from a mix of hydrocode and experimental diameter and velocity information [2]. Finally, TPS penetration depths are calculated using an empirical penetration depth predictor equation based on high-speed impact test data and are calibrated using a limited number of hydrocode penetration depth predictions for water, nylon, aluminum, Dunite, and steel projectiles The predictions of the penetration depth calculation process are compared against the predictions of more than 60 SPHC hydrocode runs. These comparisons show that the process used to calculate TPS tile penetration depths usually yields values that are within 1 mm of the predictions of hydrocode simulations. If a maximum allowable TPS penetration depth is known, the process developed herein can now be used to develop a failure limit equation that would predict whether or not an impacting particle would penetrate deeply enough into the TPS to result in a “failed” or “not failed” end state. References [1] E.L. Christiansen, “Design and performance equations for advanced meteoroid and debris shields”, International Journal of Impact Engineering, Vol. 14, 1993, pp. 145-156. [2] W.P. Schonberg, “Predicting the size of the largest particle fragment in a debris cloud created by an orbital debris impact and its associated velocity”, 2021 Applied Space Environments Conference, NASA Jet Propulsion Laboratory, Pasadena, California, November, 2021.

Meteroid↗

Influence of Antarctic and Greenland Continental Shelf Circulation on High‐Latitude Oceans in E3SM

The science objectives of this project are to simulate and understand the impacts of both deep-basin warm-water intrusions and land-ice melt on the continental shelf circulations and sea-ice distributions around the margins of Greenland and Antarctica. As well, the role of subsurface ocean heat from the Atlantic on declining sea-ice cover in the Arctic is explored. Mesoscale processes and fine bathymetry are implicated in cross-shelf property transports around both Greenland and Antarctica. Therefore, we configured and ran an atmospheric reanalysis-forced global ocean/sea-ice simulation on a grid that reduces from 8 km at the Equator to 2 km at the poles (UH8to2) with 60 vertical levels. It was produced using the Energy Exascale Earth System Model ‘‘HiLAT’’ code (E3SMv0-HiLAT) that uses the Parallel Ocean Program (POP) and CICE5 as its ocean and sea-ice components, respectively. Two main UH8to2 simulations were carried out: one for 1975-2009 and the other for July 2016-2020 after it was initialized from a 1/25° data-assimilative ocean/sea-ice prediction system ocean/sea-ice state. The UH8to2 is not coupled to an active land-ice model. Rather, land-ice melt is represented by observationally informed freshwater fluxes (FWFs). Short (multi-year) UH8to2 simulations were conducted to understand sensitivities when Greenland ice sheet (GrIS) melt is released only at the ocean surface or when it is distributed over the upper water column in accordance with fjord melt plume behavior; these cases were compared with a no GrIS melt case. West Greenland continental shelf currents were fastest in the vertical distribution case and an increase in baroclinic conversion at the shelf break associated with increased eddy kinetic energy was found relative to the surface release case. Further, salinity is lower and meltwater volume greater in the eastern Labrador Sea in the vertical distribution case. For the Arctic, the veracity of the UH8to2 was evaluated for 2017-2020 using available observations. Simulated seasonal sea-ice thickness and concentration are realistic, but the ice is unrealistically thin in the central and eastern Arctic in the fall. Comparisons of vertical sections of ocean temperature, salinity, and buoyancy collected from Ice-Tethered Profilers (ITPs) in the eastern Arctic in the fall and winter of 2019/2020 and co-located/concurrent UH8to2 fields show the stratification over the top 100 m of the water column is too low in the model, the simulated mixed layer too deep, and the simulated subsurface Atlantic Water (AW) too warm; these biases may contribute to the sea-ice biases. A model intercomparison study using the UH8to2 and a forced 1/25° regional Arctic ocean/sea-ice (uses the HYbrid Coordinate Ocean Model and CICE5) simulation further investigates the relationship between AW and sea-ice in the eastern Arctic. The models show a mesoscale-rich pulse of Atlantic Water extending into the eastern basin that reaches maximum intensity in late winter of 2018, after which it decreases in strength. Concurrent and co-located sea-ice melt or the inhibition of sea-ice growth is seen and is attributed to halocline mesoscale eddies doming into the mixed layer with convection bringing this heat into the vicinity of the sea-ice.

58 GEOSCIENCES↗

OPTIMUS{sup TM} Packaging for Intermediate Level Wastes and Spent Fuel - 20129

NAC's OPTIMUS{sup TM} packaging is a family of Type B(U)F transportation packages designed for maximum flexibility and cost-efficiency to support shipment of a wide range of challenging wastes and materials. They are small, modular packaging designs meeting DOT weight limits for road transport. OPTIMUS{sup TM} contents include low level waste, mixed low-level waste, irradiated fuel waste and intermediate level waste. Contents can also include aerosol cans with compressed gas and liquefied gas propellants and standard DOT 3E lecture bottles for shipment to treatment facilities. OPTIMUS{sup TM} packaging provides a cost-effective solution for challenging and unique waste contents combined with design simplicity and operational flexibility meeting the requirements of both SSR-6 and 10 CFR 71 for Type B(U)F packaging. The modular design of the packaging components combined with the flexibility to add modified internals for enhanced packaging performance makes OPTIMUS{sup TM} the preferred solution for many radioactive material transportation needs. The OPTIMUS{sup TM} product line currently includes two packaging designs; OPTIMUS{sup TM}-L and OPTIMUS{sup TM}-H. OPTIMUS{sup TM}-L is a lightweight transportation packaging intended for low-activity wastes, whereas OPTIMUS{sup TM}-H is a larger, heavier package intended for high-activities wastes. Due to its small size and weight, six (6) to ten (10) OPTIMUS{sup TM}-L packages can be accommodated on a single legal-weight truck shipment, depending on the weight of the contents. For typical payloads, two (2) OPTIMUS{sup TM}-H packages can be accommodated on a single legal-weight truck shipment. The OPTIMUS{sup TM} packaging share the same cask containment vessel (CCV) in the OPTIMUS{sup TM}-H and OPTIMUS{sup TM}-L. The large cavity size of the CCV, which can accommodate a 416-liter (110-gallon) drum, combined with the small size, low weight and modularity of the OPTIMUS{sup TM} packaging provides unmatched flexibility. In this paper, NAC provides a technical overview of the OPTIMUS{sup TM} packaging and identifies the design features and technology advancements making the OPTIMUS{sup TM} a readily adaptable and flexible solution for packaging processing facilities, reactor and decommissioning wastes. Optimized shielding performance through the addition of internal shielding components and alternative shipping configurations are discussed. In addition, an overview of the first major deployment of the OPTIMUS{sup TM} packaging for the Whiteshell Laboratories Closure Project (WLCP) is discussed. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Raman-shifting an ArF excimer laser to generate new lines for obtaining optical diagnostic based information in flow fields

The application of tunable excimer lasers in combustion and flow diagnostics is almost routine nowadays. The properties of this laser system that enable density and temperature measurements in supersonic and hypersonic flow fields to be conducted are its high power, high repetition rate, and high spectral brightness. The limitation imposed by this system on these measurements is the paucity of lines in the wavelength region, the vacuum-ultraviolet, where species of interest, such as OH, N2, O2, H2, H2O, CO, NO, etc., are susceptible to electronic excitation to high-lying states. To circumvent this problem one normally resorts to nonlinear optical techniques such as frequency conversion via stimulated Raman scattering (SRS), more commonly known as Raman shifting or Raman mixing, to extend these nonintrusive and nonperturbing techniques to the shorter wavelengths in the VUV region and, for that matter, to longer wavelengths in the infrared region, if the need arises. The theoretical basis of SRS and its application are well documented in the literature. In essence, the Raman shift is a consequence of the inelastic scattering of the incident radiation by the sample. Most of the scattered radiation from the molecules of the sample is unchanged in frequency. However, a small fraction of the incident radiation is changed in frequency. This shift is a result of the fact that some of the incident photons on colliding with the molecules of the sample give up some of their energy and emerge with a lower energy resulting in the lower-frequency Stokes radiation. Other incident photons may increase their energy by colliding with the vibrationally excited molecules of the medium and emerge as higher-frequency antistokes radiation. The generation of the latter is the main objective of this project. The process, however, depends on several factors, including the beam quality of the pump laser, the cross-section of the gaseous medium, the gas pressure, and the ambient temperature of the gas near the focal region. Furthermore, since the Raman shifting process is polarization sensitive, it is necessary to have all of the laser energy in a single polarization. These factors were taken into consideration in the execution of the project. The implementation of the Raman shift was accomplished by focusing the 193 nm output of an ArF excimer laser (Lamda-Physik LPX 150) into a 1-meter long high pressure recirculating Raman cell filled with H2 gas. The laser system was modified in order to improve the mode quality of the pump beam to enhance the Raman shifting. To accomplish this feat, a prism beam expander and grating on the oscillator discharge provided wavelength tuning over the excimer gain profile. Furthermore, a triple-pass configuration, as opposed to unstable resonator optics, was employed in the operation of the amplifier cavity so that when the oscillator output radiation, focused by a 51-cm focal length fused silica lens through a 50 micron pinhole (serving as a spatial filter) and recollimated with a 25-cm focal length lens, was fed into the amplifier, it was injection locked, thereby providing tunable radiation with relatively low divergence. The forward scattered radiation emanating from the impingement of the modified pump beam on the Raman cell was detected using an energy meter after the latter had been separated from it using a dispersing prism.

Koker, Edmond B.↗