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At least 199 records · Page 11

Analytical and Experimental Demonstration of an Alternate Mixing Performance Metric for High-Speed Fuel Mixing Studies

To experimentally assess the fuel/air mixing performance of high-speed fuel injectors, one-dimensional metrics that quantify the degree of mixing completeness downstream of the fuel injection location are required. The most accurate assessment of mixing performance is achieved with the mixing efficiency parameter. In order to experimentally determine the mixing efficiency parameter, the spatial distributions of both mass flux and fuel mass fraction must be measured. In-stream gas sampling techniques are commonly used to measure the fuel mass fraction distribution; however, the mass flux distribution is not easily determined because it requires the measurement of three independent aerothermodynamic variables in addition to the gas composition. Therefore, to experimentally determine the mixing efficiency parameter, the spatial distributions of four independent properties must be measured, with each property generally requiring its own unique probe. Because of this difficulty, it is commonly assumed that alternate metrics, which rely solely on the fuel distribution, are good indicators of mixing performance. However, since these alternate metrics do not provide a mass flux-weighted measure of mixing completeness, they can lead to incorrect conclusions being drawn about the mixing performance of the studied fuel injector configuration. Recognizing this shortcoming, this work proposes two new alternate mixing performance metrics that are easier to obtain than the mixing efficiency parameter. The analytical development of the new metrics, as well as their application to relevant CFD and experimental data of high-speed fuel injector configurations, is presented in this work. For two different experiments, the new metrics are shown to provide an excellent representation of the true mass flux-weighted mixing performance, unlike the traditionally-used alternatives. The results presented herein suggest that the new metrics can serve as accurate surrogates for mixing efficiency in future high-speed fuel/air mixing studies.

Cody R Ground↗

Modeling Radiation Sources for Experimental Validation

To build on previously completed experimental work, I have been working to implement a model of our lab’s Americium-Beryllium neutron source and Ludlum detection instruments computationally to provide secondary verification of our experimental results. This has been done using the radiation transport code MCNP6 (Monte Carlo N-Particle). I have developed files to calculate the mass ratio of various composite materials that we have exposed to the radiation source, as well as the components of the detection instruments and converted all of these into geometric coordinates that define the experimental setup. Identifying the proper energy distribution and detector efficiencies as well as the correct interpretation of the detector physics have proven to be the most difficult and time-consuming challenges of the work. It is currently too early for results based on the most updated and accurate models. With this experience, the next step is to develop another source model of a proton beam to simulate exposures on other composite targets. This will be developed based on existing experimental datasets, but not used to validate them. Each of these projects will further define the radiation shielding needs for humans in space radiation environments that astronauts will someday be exposed to beyond Low Earth Orbit.

Juliana Simon↗

Evaluation of CFD as a Surrogate for Wind Tunnel Testing - Experimental Uncertainty Quantification

A series of wind tunnel tests is being performed at the Unitary Plan Wind Tunnel at Langley Research Center to assess the validity of using computational fluid dynamics (CFD) as a surrogate for wind tunnel testing. In order to make proper comparisons, uncertainties in CFD results and experimental data must be well understood. The material presented will highlight the methods, assumptions, and elemental inputs used to achieve experimental uncertainty estimates for several variables of interest.The work performed to date has focused on gaining insight into random uncertainty via statistical analysis of repeat data and systematic uncertainty via Monte Carlo propagation analysis. These methods were combined using a second-order Monte Carlo propagation, resulting in a probability box (P-box) for each variable and at all conditions of interest. Figure 1 provides an example of one such P-box, showing the experimental uncertainty in a locally determined dynamic pressure (QC10) for one of many tunnel conditions evaluated during the Flow Survey experiment. This particular condition (Condition 27) has nominal set points of Mach number = 3.85, Reynolds number = 3x10(exp 6) ft(exp -1), total pressure = 5160 psfa, and total temperature = 150°F. The uncertainty in dynamic pressure at this condition is now well defined by this plot. Armed with this experimental data uncertainty, meaningful comparisons can be made with computational results, when their associated uncertainties are also considered.

Heather P Houlden↗

Comparison of Corcos-based and experimentally-derived coherence factors for BFFs estimation

In this paper, high-spatial-resolution unsteady Pressure Sensitive Paint (uPSP) data are utilized to compare two methods for panel Buffet Forcing Functions (BFF) estimation for the Space Launch System (SLS). Such methods are based on discrete pressure measurements within a panel but employ coherence factors to account for partially-correlated fluctuating pressures across the whole panel. In one method, coherence factors are derived based on the Corcos model, whereas the second method utilizes experimentally-derived coherence factors. To simulate discrete measurements using uPSP data, suitable subsets of the data are extracted. When full uPSP resolution is retained, uPSP data provide a benchmark to assess discrete-measurements-based methods. The analysis focuses on the peak SLS buffet environment located downstream of the Forward Attachment Hardware (FAH) between the core stage and solid rocket boosters. Trends of Corcos-based and experimentally-derived coherence factors are in reasonable agreement with the benchmark. However, at certain frequencies, experimentally-derived coherence factors are sensitive to the separation distance between pressure measurements utilized to compute coherence lengths. Such sensitivity originates from deviation of the experimental-based coherence function from an exponential decay assumption. On the other hand, the present implementation of the Corcos model fails to capture certain non-turbulent boundary layer related environments, such as a subharmonic of FAH vortex-shedding. For all methods presented in this paper, at near transonic conditions, increased pressure coherence and spatial nonuniformity lead to BFF overestimation and sensitivity to the pressure measurement location within the panel.

transonic buffet↗

Comparison of Corcos-Based and Experimentally-Derived Coherence Factors for Buffet Forcing Functions Estimation

In this paper, high-spatial-resolution unsteady Pressure Sensitive Paint (uPSP) data are utilized to compare two methods for panel Buffet Forcing Functions (BFF) estimation for the Space Launch System (SLS). Such methods are based on discrete pressure measurements within a panel but employ coherence factors to account for partially-correlated fluctuating pressures across the whole panel. In one method, coherence factors are derived based on the Corcos model, whereas the second method utilizes experimentally-derived coherence factors. To simulate discrete measurements using uPSP data, suitable subsets of the data are extracted. When full uPSP resolution is retained, uPSP data provide a benchmark to assess discrete-measurements-based methods. The analysis focuses on the peak SLS buffet environment located downstream of the Forward Attachment Hardware (FAH) between the core stage and solid rocket boosters. Trends of Corcos-based and experimentally-derived coherence factors are in reasonable agreement with the benchmark. However, at certain frequencies, experimentally-derived coherence factors are sensitive to the separation distance between pressure measurements utilized to compute coherence lengths. Such sensitivity originates from deviation of the experimental-based coherence function from an exponential decay assumption. On the other hand, the present implementation of the Corcos model fails to capture certain nonturbulent boundary layer related environments, such as a subharmonic of FAH vortex-shedding. For all methods presented in this paper, at near transonic conditions, increased pressure coherence and spatial nonuniformity lead to BFF overestimation and sensitivity to the pressure measurement location within the panel.

buffet↗

Comparison of Corcos-Based and Experimentally-Derived Coherence Factors for Buffet Forcing Function Estimation

In this paper, high-spatial-resolution unsteady Pressure Sensitive Paint (uPSP) data are utilized to compare two methods for panel Buffet Forcing Function (BFF) estimation for the Space Launch System (SLS). Such methods are based on discrete pressure measurements within a panel but employ coherence factors to account for partially-correlated fluctuating pressures across the whole panel. In one method, coherence factors are derived based on the Corcos model, whereas the second method utilizes experimentally-derived coherence factors. To simulate discrete measurements using uPSP data, suitable subsets of the data are extracted. When full uPSP resolution is retained, uPSP data provide a benchmark to assess discrete-measurement-based methods. The analysis focuses on the peak SLS buffet environment located downstream of the Forward Attachment Hardware (FAH) between the core stage and solid rocket boosters. Trends of Corcos-based and experimentally-derived coherence factors are in reasonable agreement with the benchmark. However, at certain frequencies, experimentally-derived coherence factors are sensitive to the separation distance between pressure measurements utilized to compute coherence lengths. Such sensitivity originates from deviation of the experimentally-based coherence function from an exponential decay assumption. On the other hand, the present implementation of the Corcos model fails to capture certain nonturbulent boundary layer related environments, such as a subharmonic of FAH vortex-shedding. For all methods presented in this paper, at near transonic conditions, increased pressure coherence and spatial nonuniformity lead to BFF overestimation and sensitivity to the pressure measurement location within the panel.

transonic buffet↗

Experimental Characterization of Non-Associative Plasticity Flow Rule Coefficients and Post-Peak Stress Degradation for the LS-DYNA MAT213 Model

This project is focused on developing an experimental framework for characterizing non-associative plasticity flow rule coefficients through coupon-scale tests for the LS-DYNA MAT213 model. The main objective is to characterize these coefficients based on the multi-scale (i.e., both microscopic and macroscopic) full-field measurement of the evolution of strain and stress fields. This paper focuses on presenting the experimental work on characterizing the full-scale stress-strain curves of T700/LM-PAEK composites under tension, compression, and shear loads. The experimental data set was intended to build a deformation sub-model in the MAT213 model for the material. The strain data were collected using both microscopic and macroscopic digital image correlation techniques. The microscopic technique was particularly useful for fracture cases under small strains. A preliminary simulation result obtained from the MAT213 model is also presented in the paper. The experimental framework herein will be extended to characterize post-peak stress degradation in the composite material and to develop a damage sub-model for the material. This project will contribute to developing a simulation tool based on the MAT213 model for simulating the rate-dependent impact damage in composites under multi-axial loading.

MAT213↗

Developing Rationale for Experimental Designs Employed During Forthcoming NASA Quesst Mission Community Noise Campaigns

Since the publication of R.A. Fisher’s “The Arrangement of Field Experiments” in 1926, the enumerated principles that contributed to the improvement of agricultural field experiments in the early 20th century (randomization, replication, blocking, and appropriate variation of factors) remain hallmarks of all well-designed clinical trials and scientific endeavors in the 21st century. Beginning in 2026, NASA will conduct community noise campaigns with the first-of-kind X-59 experimental aircraft to 1) demonstrate the possibility of quiet supersonic flight over land and 2) to collect live data about annoyance (a categorical response) in relation to estimated noise levels (an experimental factor) produced by the new noise phenomenon, a low-noise “sonic thump”. The resulting predicted relationship between perceptual response and estimated noise level, e.g., mixed logistic regression or related models in the class of generalized linear (mixed) models, is believed to be a useful policy tool that domestic and international regulators can use when deciding whether existing prohibitions of supersonic flight over land can be replaced with a noise-based limit. The X-59 is engineered with the expectation that annoyance in the tested ranges should be a rare outcome, and, consequently, NASA convened an interdisciplinary team to examine and refine the rationale underlying the experimental design for future community campaigns. In this presentation, we review relevant literature on experiments with rare binary outcomes, relate the deliberations of the NASA team to tenets of good experimental design, and highlight several challenges and operational realities of this ambitious campaign.

Design of Experiments; blocking; randomization; co↗

VTS Dynamic Model and Experimental Validation for Vibration Suppression

High Q-factor superconducting radio-frequency (SRF) cavities are extremely sensitive to mechanical vibrations, which can cause an uncontrolled shift of the electromagnetic resonance frequency, with detrimental effects on the cavity performance. To avoid this phenomenon (i.e. microphonics) the dynamic behavior of the assembly must be studied, to design vibration suppression systems. In this paper, the numerical model of the Vertical Test Stand (VTS) insert adopted at the Fermi National Accelerator Laboratory for cold tests was studied, in the framework of the experimental characterization of Dark SRF cavities conducted by the SQMS (Superconducting Quantum Materials and Systems) center. Due to the complexity of the assembly, experimental activity is of utmost importance to validate the model. Thus, vibration testing was performed on the actual system, and a good correlation between numerical and experimental results was found. Additionally, two different setups were compared, with and without implementing a preliminary passive vibration suppression system, to assess its effectiveness in reducing the microphonics phenomenon. The obtained results allowed for the design of an improved isolation system, which will be the subject of future experimental testing.

43 PARTICLE ACCELERATORS↗

Assessment of buffer-IPyC thermomechanical debonding behavior using new experimental strength data in BISON

TRIstructural ISOtropic (TRISO) fuel is a nuclear fuel commonly used in High Temperature Gas-cooled Reactors (HTGRs). A single sub-millimeter-diameter TRISO fuel particle consists of a spherical fuel kernel surrounded by four coating layers: a low-density pyrocarbon buffer layer, an inner pyrolytic carbon (IPyC) layer, a silicon carbide (SiC) layer, and an outer pyrolytic carbon (OPyC) layer. The kernel is commonly made of UO2 or a mixture of uranium carbide and uranium oxide (UCO). During reactor operation, the TRISO coating layers are subjected to irradiation-induced dimensional changes and the associated thermomechanical behavior of each layer. One of the observed behaviors is gap formation between the buffer and IPyC layer due to the porous buffer’s irradiation-induced shrinkage exceeding that of the IPyC layer. Not all irradiated particles will experience buffer-IPyC gap formation. The debonding may be partial, or it may be nearly total. However, from post-irradiation examination of UCO TRISO fuels irradiated as part of the Advanced Gas Reactor (AGR) Fuel Development and Qualification Program, it was concluded that partial buffer-IPyC debonding was the most common type of buffer-IPyC interaction. To predict TRISO thermomechanical performance, multi-physics models have been built that are being continually updated and refined. The BISON code is a finite element-based nuclear fuel performance code that may be used for 1D, 2D, and 3D TRISO particle simulations. This code is used to calculate fuel temperature, kernel swelling, buffer densification, thermal and irradiation creep, fracture, and fission gas production and release. One of the recent additions to the BISON code is the ability to model the process of layer debonding. This paper will focus on the simulation results of the improved BISON debonding model that will utilize updated strengths measured from irradiated AGR TRISO fuel particles. The new experimental strength data from micromechanical tests of irradiated TRISO fuel samples were exercised in the BISON simulations and compared to baseline strength data to assess their applicability in the models. This also includes updated buffer-IPyC bond strengths to simulate layer delamination. Based on current experimental observations it is noted that the buffer-IPyC separation occurs not exactly at the junction of these two layers, but more on the side of the buffer layer. That observation is also implemented in the TRISO interface debonding model. This improved modeling approach using experimental strength data to characterize buffer-IPyC debonding and its potential subsequent cracking will be presented in the paper along with comparisons to available experimental observations.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NdPO 4 solubility and aqueous Neodymium speciation in supercritical fluids: An experimental study at 500–700 °C and 1.7 kbar

A key aspect in the formation of rare earth elements (REE) deposits is the role of REE transport as aqueous REE complexes in supercritical hydrothermal solutions, where the nature of the aqueous complex is controlled by solution composition, temperature and pressure. Despite chloride being considered as one of the most abundant transporting ligands in magmatic-hydrothermal fluids, experimental investigations on the stability of aqueous REE chloride complexes are scarce above 300 °C. In this study, synthetic NdPO 4 crystals were reacted with non-saline and saline (0, 0.05 and 0.5 mNaCl), acidic (0.01 mHCl) aqueous solutions in a series of solubility experiments conducted at 500–700 °C and 1.7 kbar, where the solubilities were determined using a stable Nd isotope ( 145 Nd isotope spike) dilution technique. NdPO 4 solubility ranges between 28 ppm and 10,858 ppm, where solubility increases with both temperature and salinity. At 500 °C, log mNdPO 4 increases from –3.93 to –1.60 and there is a strong correlation between NdPO 4 solubility and NaCl concentrations (slope of 1.2 ± 0.3), indicating stabilization of the Nd chloride aqueous complexes with a stoichiometry corresponding to NdCl 2+ . At 600 °C, this correlation is weaker (slope of 0.4, log mNdPO 4 increases from –2.63 to –1.88) indicating the stabilization of both Nd chloride and hydroxyl species controlling solubility. At 700 °C, NdPO 4 solubility is largely independent of NaCl concentration indicating that solubility is controlled by Nd hydroxyl complexes, where stoichiometry suggests the neutral Nd(OH) 3 0 species is dominant. The solubility product (Ksp) of NdPO4 is derived from experimental data with the relation: log K sp = -41.81 – 0.057T – 20987/T, with T temperature in Kelvin. Comparison of the measured Nd phosphate solubility to thermodynamic predictions using the available Helgeson-Kirkham-Flowers equation of state parameters for aqueous Nd complexes indicate that predictions are up to three orders of magnitude lower compared to experimental observations. This discrepancy is most pronounced in saline solutions, suggesting that thermodynamic properties of the REE chloride species in supercritical fluids require revision. Numerical simulations of fluid-rock interaction between acidic, saline fluids and a Strange Lake felsic mineral assemblage demonstrates that NdPO 4 solubility predictions from models are four to six orders of magnitude lower than those calculated based on empirical fits from experiments, which suggests that acidic, saline fluids may play an important role in mobilizing large amounts of light REE from 450 to 700 °C.

58 GEOSCIENCES↗

SPRUCE Redox-Active Subsurface Organic Matter, Marcell Experimental Forest, Minnesota, 2023

This dataset contains measurements that report on the effects of the SPRUCE experimental treatments on redox-active organic matter (RAOM) reduction (Valenzuela and Cervantes, 2021). Measurements occurred at the SPRUCE Experiment site in the Marcell Experimental Forest in northern Minnesota, USA. This work is also a follow-up to Rush et al. (2021a) which investigated effects of temperature on RAOM reduction after two years of experimental warming (Rush et al. 2021b). This follow-up dataset addresses two main questions; (i) How does warming and elevated carbon dioxide (CO2) directly affect in situ RAOM reduction, and subsequent methane (CH4) and CO2 production, across the peat depth profile? and (ii) How has long-term warming and elevated CO2 changed the total RAOM pool, and subsequent CH4 and CO2 production, across the peat depth profile? This dataset reports electron shuttling capacity (a proxy for RAOM reduction; Keller, and Takagi, 2013) and carbon dioxide (CO2) and methane (CH4) concentrations both in one-week in situ incubations (2023-05-31 to 2023-08-01) and 42-day laboratory incubations from peat collected in 2023 (2023-05-31 to 2023-06-26). Laboratory incubations also measured acetate concentrations. The 2023 laboratory incubations were also compared with laboratory incubations conducted on peat collected in 2016 (Rush et al. 2021b). This dataset contains three data files in comma-separate (.csv) format. Additional metadata are provided: three data dictionaries and a file-level metadata file in comma separate (.csv) format and a user guide in PDF (*.pdf) format.

54 ENVIRONMENTAL SCIENCES↗

Experimental and Computational Sonic Boom Assessment of Boeing N+2 Low Boom Models

Near-field pressure signatures were measured and computational predictions made for several sonic boom models representing Boeing's Quiet Experimental Validation Concept (QEVC) supersonic transport, as well as three axisymmetric calibration models. Boeing developed the QEVC under a NASA Research Announcement (NRA) contract for Experimental Systems Validations for N+2 Supersonic Commercial Transport Aircraft, which was led by the NASA High Speed Project under the Fundamental Aeronautics Program. The concept was designed to address environmental and performance goals given in the NRA, specifically for low sonic boom loudness levels and high cruise efficiency, for an aircraft anticipated to enter service in the 2020 timeframe. Wind tunnel tests were conducted on the aircraft and calibration models during Phases I and II of the NRA contract from 2011 to 2013 in the NASA Ames 9- by 7-Foot and NASA Glenn 8- by 6-Foot Supersonic Wind Tunnels. Sonic boom pressure signatures were acquired primarily at Mach 1.6 and 1.8, and force and moment data were acquired from Mach 0.8 to 1.8. The sonic boom test data were obtained using a 2-in. flat-top pressure rail and a 14-in. round-top tapered "reflection factor 1" (RF1) pressure rail. Both rails capture an entire pressure signature in one data point, and successive signatures at varying positions along or above the rail were used to improve data quality through spatial averaging. The sonic boom data obtained by the rails were validated with high-fidelity numerical simulations of off-body pressures using the CFD codes USM3D, Cart3D, and OVERFLOW. The test results from the RF1 rail showed good agreement between the computational and experimental data when a variety of testing techniques including spatial averaging of a series of pressure signatures were employed, however, reflections off the 2-in. flat-top rail caused distortions in the signatures that did not agree with the CFD predictions. The 9 x 7 and 8 x 6 wind tunnels generally produced comparable data.

pressure signature↗

Experimental Validation of Pulse Phase Tracking for X-Ray Pulsar Based

Pulsars are a form of variable celestial source that have shown to be usable as aids for autonomous, deep space navigation. Particularly those sources emitting in the X-ray band are ideal for navigation due to smaller detector sizes. In this paper X-ray photons arriving from a pulsar are modeled as a non-homogeneous Poisson process. The method of pulse phase tracking is then investigated as a technique to measure the radial distance traveled by a spacecraft over an observation interval. A maximum-likelihood phase estimator (MLE) is used for the case where the observed frequency signal is constant. For the varying signal frequency case, an algorithm is used in which the observation window is broken up into smaller blocks over which an MLE is used. The outputs of this phase estimation process were then looped through a digital phase-locked loop (DPLL) in order to reduce the errors and produce estimates of the doppler frequency. These phase tracking algorithms were tested both in a computer simulation environment and using the NASA Goddard Space flight Center X-ray Navigation Laboratory Testbed (GXLT). This provided an experimental validation with photons being emitted by a modulated X-ray source and detected by a silicon-drift detector. Models of the Crab pulsar and the pulsar B1821-24 were used in order to generate test scenarios. Three different simulated detector trajectories were used to be tracked by the phase tracking algorithm: a stationary case, one with constant velocity, and one with constant acceleration. All three were performed in one-dimension along the line of sight to the pulsar. The first two had a constant signal frequency and the third had a time varying frequency. All of the constant frequency cases were processed using the MLE, and it was shown that they tracked the initial phase within 0.15% for the simulations and 2.5% in the experiments, based on an average of ten runs. The MLE-DPLL cascade version of the phase tracking algorithm was used in the varying frequency case. This resulted in tracking of the phase and frequency by the DPLL outputs in both the simulation and experimental environments. The crab pulsar was experimentally tested with a trajectory with a higher acceleration. In this case the phase error tended toward zero as the observation extended to 250 seconds and the doppler frequency error tended to zero in under 100 seconds.

Experimental↗

Experimental Setup for Mechanically Testing Subscale Triangular, Rollable, and Collapsible Deployable Composite Booms

High-strain composite deployable space structures are used for space infrastructure and science applications such as solar array supports, antennae, camera masts, and lightweight structures supporting solar sailing propulsion ele-ments. Triangular, Rollable, and Collapsible (TRAC) deployable composite booms are one example of a high-strain composite deployable structure and were studied using novel experimental test and characterization methods developed under the Gravity Offloading and Analysis of Long Imperfection-sensitive Ele-ments (GOALIE) project. In the present work, a subscale 7-m-long TRAC boom was suspended vertically to orient gravity along the length of the boom. By ori-enting vertically, highly nonlinear and unstable behavior often encountered dur-ing horizontally oriented gravity offload testing of similar structures was reduced. Pretest analytical predictions of TRAC booms indicated three unique failure modes, loads, and locations for three unique loading cases of in-plane bending, out-of-plane bending, and axial compression. To investigate the predicted behav-ior, an experimental test was set up to impart mechanical loads to a subscale TRAC boom. The experimental setup, loading cases, and instrumentation used to characterize the mechanical response of a subscale TRAC boom are described in this paper.

High-strain composites↗

Experimental Setup for Mechanically Testing Subscale Triangular, Rollable, and Collapsible Deployable Composite Booms

High-strain composite deployable space structures are used for space infrastructure and science applications such as solar array supports, antennae, camera masts, and lightweight structures supporting solar sailing propulsion elements. Triangular, Rollable, and Collapsible (TRAC) deployable composite booms are one example of a high-strain composite deployable structure and were studied using novel experimental test and characterization methods developed under the Gravity Offloading and Analysis of Long Imperfection-sensitive Elements (GOALIE) project. In the present work, a subscale 7-m-long TRAC boom was suspended vertically to orient gravity along the length of the boom. By orienting vertically, highly nonlinear and unstable behavior often encountered during horizontally oriented gravity offload testing of similar structures was reduced. Pretest analytical predictions of TRAC booms indicated three unique failure modes, loads, and locations for three unique loading cases of in-plane bending, out-of-plane bending, and axial compression. To investigate the predicted behavior, an experimental test was set up to impart mechanical loads to a subscale TRAC boom. The experimental setup, loading cases, and instrumentation used to characterize the mechanical response of a subscale TRAC boom are described in this paper.

Experimental testing↗

BISON Simulated and Experimental Fission Product Release Comparisons from Reradiated AGR-3/4 Compacts During High Temperature Heating Tests

The fuel performance modeling code BISON was used to predict the release of fission products iodine-131 (131I), xenon-133 (133Xe), and krypton-85 (85Kr) from four re-irradiated AGR-3/4 fuel compacts containing tristructural isotropic (TRISO) coated particles during high-temperature isothermal heating tests. The AGR-3/4 fuel compacts were irradiated in the Advanced Test Reactor (ATR) as part of the third and fourth series of planned experiments to support the Advanced Gas Reactor (AGR) Program. They were subsequently stored and re-irradiated in the Neutron Radiography (NRAD) reactor for approximately five days and then stored for another five to eight days before being subjected to isothermal heating tests in the Fuel Accident Condition Simulation (FACS furnace) for 200 to 300 hours at temperatures between 1000°C and 1600°C to evaluate fission product release at elevated temperatures. New nuclide-specific fission product source term models for the three nuclides of interest were developed using the reactor multiphysics code Griffin and implemented into BISON to support this work. The new source term models were incorporated into coupled compact- and particle-scale BISON simulations, which predict spatially- and temporally-resolved radionuclide generation, radioactive decay, transport, and release throughout the entire irradiation history, including the initial ATR irradiation, NRAD re-irradiations, FACS heating tests, and intermediate periods spent in storage. The experimentally measured fission product release from the heating tests were compared to modeling release predictions calculated by BISON to evaluate how well the code compares to experimental results. Overall, the experimental measured and BISON predicted comparative release results varied but generally agreed to within 5 particle equivalents. Comparative release results identified general observations to take into consideration to help refine future models and reduce uncertainties associated with both the measurement results and predictive results. This includes developing new uranium oxycarbide (UCO) specific kernel diffusivities for the three isotopes examined to more accurately reflect the material properties of the fuel form. Deriving new diffusivities will aid in producing a more informed BISON model

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Surface Segregation Studies in Ternary Noble Metal Alloys: Comparing DFT and Machine Learning with Experimental Data

Abstract Surface segregation, whereby the surface composition of an alloy differs systematically from the bulk, has historically been hard to study, because it requires experimental and modeling methods that span alloy composition space. In this work, we study surface segregation in catalytically relevant noble and platinum‐group metal alloys with a focus on three ternary systems: AgAuCu, AuCuPd, and CuPdPt. We develop a data set of 2478 fcc slabs with those compositions including all three low‐index crystallographic orientations relaxed with Density Functional Theory using the PBEsol functional with D3 dispersion corrections. We fine‐tune a machine learning model on this data and use the model in a series of 1800 Monte Carlo simulations spanning ternary composition space for each surface orientation and ternary chemical system. The results of these simulations are validated against prior experimental surface segregation data collected using composition spread alloy films for AgAuCu and AuCuPd. Our findings reveal that simulations conducted using the (110) orientation most closely match experimentally observed surface segregation trends, and while predicted trends qualitatively match observation, biases in the PBEsol functional limit numeric accuracy. This study advances understanding of surface segregation and the utility of computational studies and highlights the need for further improvements in simulation accuracy.

Chemistry↗