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At least 775 records · Page 43

Predicting Fracture Porosity Evolution in Sandstone (Final Report)

To better understand porosity, strength, chemical reactivity, and patterns of fractures, we developed methods using mineral deposits to unravel how fracture growth and diagenesis interact to create and destroy fracture porosity. Quartz and dolomite cement textures and associated fluid inclusion assemblage sequences and thermal histories provided data to infer the duration and rates at which fractures open. We developed and tested a model that accounts for how fracture porosity and rock properties change as a function of thermal exposure and how fracture size and arrangement evolve. Effects of cement deposits on growth were investigated with new geomechanical models and new methods to quantify fracture spatial arrangement. We tested these concepts in a wide range of rock types using outcrop and core-based datasets. We documented opening histories of fractures and fracture arrays in contrasting tectonic and thermal regimes. Our methods set a new standard for fracture characterization and our diagenetic-geomechanical model accurately predicts fluid flow characteristics of fractured rocks based on coupled effects of diagenesis and deformation. Results represent a significant advance in fundamental understanding of fractures in the Earth and have application to improving subsurface engineering operations in a wide range of contexts including geothermal and sequestration applications. The breakthrough of successfully reconstructing the timing and opening rates of parts of single fractures and portions of fracture arrays to document the growth and linkage of fracture arrays was an accomplishment of this grant that is being followed up in our current BES grant DE-SC0022968, ‘Reconstructing and Predicting Fracture Pattern Evolution‘

58 GEOSCIENCES↗

Towards Realistic and High Fidelity Models for Nuclear Reactor Power Synthesis Simulation with Self-Powered Neutron Detectors

As presented in this report, a weighting function–based inferencing method is being applied to synthesize the power distribution in next-generation and university research reactors based on simulated self power neutron detector (SPND) responses. The overall goal is to assess the impacts of sensor uncertainty and true power distribution perturbations on the error in the synthesized power distribution. Regarding sensor uncertainty, the NuScale Small Modular Reactor (SMR) and the Westinghouse AP1000 serve as testbeds for analyzing the impact of varying the sensor uncertainty, as well as varying the number of sensors per sensor string in the reactor core. The reactor models are informed by Monte Carlo N-Particle (MCNP) neutron flux tallies. For the NuScale SMR and Westinghouse AP1000, the SPND response functions (i.e., the response of the SPNDs to individual segments of fuel) were determined homogeneously. Regarding an analysis of power distribution perturbation detection, the Texas A&M Testing, Research, Isotopes, General Atomics Reactor (TAMU TRIGA) reactor was used as a demonstration case with one particular arrangement of SPNDs; the response functions for this reactor model were determined heterogeneously, making this a uniquely high-fidelity demonstration of perturbation detection. Finally, SPND models generated in the Geometry and Tracking 4 (Geant4) code have been generated and tested for comparison with traditionally implemented analytical SPND models, with the intent for Geant4 integration with the full methodological framework. SPND current outputs as a function of distance from some fuel assembly segment in the NuScale SMR are compared with the analytically determined currents. Results from the sensor uncertainty simulations for the NuScale SMR and AP1000 indicate that the average error in the inferred power distribution on the fuel assembly segment level is reasonably low, being slightly less than the random uncertainty applied to all respective SPNDs in both cores. For example, if all SPNDs in the core have a random uncertainty of 5%, then the corresponding fuel assembly segment level error (i.e. difference between the true and inferred local power) is ~2–3%. However, the maximum error in the inferred power distribution on the fuel assembly segment level can be considerably high (>15%) when SPND random uncertainties start to exceed ~3%. In general, the average and maximum errors in the inferred power distribution were slightly higher in the AP1000 as opposed to the NuScale SMR for the sensor string configurations considered herein. Another result determined from analysis of the sensor uncertainty simulations was that increasing the number of SPNDs per string does not clearly reduce inferred power distribution error and can in fact make the error large in some cases; however, this assessment may skewed due to imposed iteration limits. Results from the perturbation detection demonstration using the high-fidelity TAMU TRIGA model indicate that, given the arrangement of 17 SPND strings and 4 SPNDs per string considered herein, there is a clear, provable ability to infer a localized Gaussian-type peak perturbation in the 3D power distribution. Such a perturbation was detected with an average fuel assembly segment level error of 0.19%, and the general visualization of the detected perturbation clearly indicates that the magnitude and shape were appropriately resolved. Finally, the electrical current output generated by the Geant4 modeled SPND indicates significant magnitude differences than the analytically modeled SPND, demonstrating the need for accurate SPND models which account for finite sensor geometry effects to inform the power synthesis work described herein.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

First simultaneous measurement of the γ-ray and neutron emission probabilities in inverse kinematics at a heavy-ion storage ring

The probabilities for γ-ray and particle emission as a function of the excitation energy of a decaying nucleus are valuable observables for constraining the ingredients of the models that describe the deexcitation of nuclei near the particle emission threshold. These models are essential in nuclear astrophysics and applications. In this paper, we have for the first time simultaneously measured the γ-ray and neutron emission probabilities of 208 Pb. The measurement was performed in inverse kinematics at the Experimental Storage Ring (ESR) of the GSI/FAIR facility, where a 208 Pb beam interacted through the 208 Pb (p,p') reaction with a hydrogen gas jet target. Instead of detecting the γ rays and neutrons emitted by 208 Pb, we detected the heavy beamlike residues produced after γ and neutron emission. These heavy residues were fully separated by a dipole magnet of the ESR and were detected with outstanding efficiencies. The comparison of the measured probabilities with model calculations has allowed us to test and select different descriptions of the γ-ray strength function and the nuclear level density available in the literature.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Black-box optimization of a closed-circuit reverse osmosis system for desalination through extremum seeking control

We study the minimization of the cost function of a closed-circuit desalination reverse osmosis (CCRO) system, which is used for producing drinking water. The cost function is a trade-off between the specific energy consumption and the specific brine management cost. The extremum-seeking controller (ESC) manipulates the critical electric conductivity of the brine to minimize the cost function. Experiments were designed in which the composition of the feed salinity is increased to test the controller’s ability to converge to a new optimum. The ESC was able to shift the critical conductivity to a new optimum, which resulted in a 9% improvement in the cost function.

Chowdhury, Dhruba↗

Experimental Validation of Subsystem Models for a Novel Variable Displacement Hydraulic Motor

A novel, variable displacement, low-speed high-torque hydraulic motor is being developed that is expected to be highly efficient across a broad operating range. To ensure the final hardware achieves the expected performance, the models used in the development of the motor must be experimentally validated and revised, as necessary. The specific focus in this work is on mechanical energy loss models that were used to guide the design of a single-cylinder motor prototype and on experimental tests used for model validation. Ideally each model, whether friction loss in a piston/cylinder interface or energy loss due to leakage in a valve , would be individually validated by an independent test. This granular approach would remove any question of where the error lies and result in highly accurate models. However, many motor components have multiple forms of energy loss, creating difficulty in validating individual losses. Additionally, it is not physically realizable to divide many components into an individual model equivalent test. Testing the motor as a full assembly is possible, but pinpointing the source of discrepancies between the model and the hardware becomes difficult with dozens of models potentially being partially responsible. A compromise was found by separating the motor into functional component groups that are characterized by the type of loss and ability to test each subcomponent independently. By checking for correlation between test observations and model predictions, revisions could be implemented into the models. This allows future solutions to be more accurately predicted in the design phase to drive the design of better machines.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DEFECT DETECTION USING DYNAMIC ANALYSIS FOR ADDITIVE MANUFACTURED METALS

Additive manufacturing (AM) has the ability to produce parts with complex geometries and internal features, however, for demanding applications such as the automotive and aerospace industries, it is crucial that the parts can meet the demanding functional and geometric requirements. Quality control for AM parts focuses on nondestructive methods of testing, but many of the current methods are expensive and time-consuming. The research presented in this report explores various methods of nondestructive evaluation (NDE) using dynamic analysis on stainless steel parts produced with selective laser melting (SLM). Methods include, but are not limited to, frequency response functions (FRF), impedance-based measurements, and scanning laser doppler vibrometry. Additionally, mode shape analysis was performed in MATLAB and FEA simulations were used for comparison with experimental results. The results indicate that dynamic analysis has the potential to be a feasible method of defect detection and NDE in AM parts and future work should focus on refining these methods, such as optimizing test parameters to improve sensitivity to defects.

Deonarain, Gita↗

A Plan to Qualify New Fuel for the High Flux Isotope Reactor for Material Minimization

The High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL) is one of five high power research reactors the Office of Material Management and Minimization (M3) Program, Office of Conversion is working to convert from using highly enriched uranium (HEU) fuel to using low-enriched uranium (LEU) fuel. This effort stems from the primary objective within the U.S. Department of Energy (DOE) National Nuclear Security Administration (NNSA) to achieve permanent threat reduction by minimizing, and when possible, eliminating weapon-usable nuclear material around the world. Under M3’s Office of Conversion, the U.S. High Performance Research Reactor (USHPRR) Project is pursuing fuel qualification and licensing of LEU fuels to support the high-performance reactors. All high-performance reactors except HFIR will be converted to LEU monolithic uranium-molybdenum alloy fuel. HFIR will be evaluated for conversion to LEU using a uranium silicide fuel, namely, U3Si2-Al dispersion fuel. The mission of the USHPRR Project is to develop the technology needed to reduce, and eventually eliminate, worldwide use of HEU in civilian applications. The goal is to develop the technical means needed to use low enriched uranium (LEU) instead of HEU fuel in research and test reactors without significant penalties in performance, economics, or safety of the reactors. The USHPRR Project has four major elements, called Pillars: Fuel Qualification (FQ) managed at Idaho National Laboratory (INL), Fuel Fabrication (FF) managed at Pacific Northwest National Laboratory (PNNL), Reactor Conversion (RC) managed at Argonne National Laboratory (Argonne), and Cross-Cutting (CC) managed at Savannah River National Laboratory (SRNL). FQ is responsible for the qualification of the fuel type. RC is responsible for supporting reactor conversion analysis and overseeing licensing submittals leading to conversions of domestic reactors to LEU fuel. For the FQ effort, FQ (INL) worked in collaboration with RC (Argonne) and ORNL to develop the plan for the uranium silicide fuel qualification for HFIR. The resulting HFIR Fuel Qualification Plan provides the general approach for the USHPRR team to move the selected uranium silicide fuel design for HFIR conversion through qualification. Authorization and use in HFIR will be approved through the DOE’s Office of Science. Uranium silicide fuel was previously qualified in NUREG-1313 at an approximate maximum heat flux of 1.4 MW/m2 and a maximum fuel section temperature of about 130°C. In addition to the different regulator process utilized by DOE, these upper limits will be exceeded in HFIR; therefore, further testing will be necessary to ensure the fuel can meet HFIR qualification requirements. The HFIR fuel loading may exceed 4.8 gU/cm3 which was determined in the NUREG-1313 safety evaluation to be acceptable for use in non-power NRC-licensed reactors provided there exist no other safety considerations. In addition, the uranium silicide fuel will need to be qualified in a HFIR-specific design. This plan includes the currently available information from the USHPRR Project Functions and Requirements document and expands these requirements to ensure that planned tests have traceable results providing evidence that the requirements have been met. Data collection methods are discussed as well as the process to show that the requirements have been met. This document is designed to provide a pathway for researchers to obtain data necessary and at the appropriate quality level for HFIR fuel qualification

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

A Plan to Qualify New Fuel for the High Flux Isotope Reactor for Material Minimization

The High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL) is one of five high power research reactors the Office of Material Management and Minimization (M3) Program, Office of Conversion is working to convert from using highly enriched uranium (HEU) fuel to using low-enriched uranium (LEU) fuel. This effort stems from the primary objective within the U.S. Department of Energy (DOE) National Nuclear Security Administration (NNSA) to achieve permanent threat reduction by minimizing, and when possible, eliminating weapon-usable nuclear material around the world. Under M3’s Office of Conversion, the U.S. High Performance Research Reactor (USHPRR) Project is pursuing fuel qualification and licensing of the high-performance reactors to operate with LEU fuels. All high-performance reactors except HFIR will be converted to LEU monolithic uranium-molybdenum alloy fuel. HFIR will be evaluated for conversion to LEU using a uranium silicide fuel, namely, U3Si2-Al dispersion fuel.The mission of the USHPRR Project is to develop the technology needed to reduce, and eventually eliminate, worldwide use of HEU in civilian applications. The goal is to develop the technical means needed to use low enriched uranium (LEU) instead of HEU fuel in research and test reactors without significant penalties in performance, economics, or safety of the reactors. The USHPRR Project has four major elements, called Pillars: Fuel Qualification (FQ) managed at Idaho National Laboratory (INL), Fuel Fabrication (FF) managed at Pacific Northwest National Laboratory (PNNL), Reactor Conversion (RC) managed at Argonne National Laboratory (Argonne), and Cross-Cutting (CC) managed at Savannah River National Laboratory (SRNL). FQ is responsible for the qualification of the fuel type. RC is responsible for supporting reactor conversion analysis and overseeing licensing submittals leading to conversions of domestic reactors to LEU fuel. For the FQ effort, FQ (INL) worked in collaboration with RC (Argonne) and ORNL to develop the plan for the uranium silicide fuel qualification for HFIR.The resulting HFIR Fuel Qualification Plan provides the general approach for the USHPRR team to move the selected uranium silicide fuel design for HFIR conversion through qualification. Authorization and use in HFIR will be approved through the DOE’s Office of Science. Uranium silicide fuel was previously qualified in NUREG-1313 at an approximate maximum heat flux of 1.4 MW/m2 and a maximum fuel section temperature of about 130°C. In addition to the different regulator process utilized by DOE, these upper limits will be exceeded in HFIR; therefore, further testing will be necessary to ensure the fuel can meet HFIR qualification requirements. The HFIR fuel loading may exceed 4.8 gU/cm3 which was determined in the NUREG-1313 safety evaluation to be acceptable for use in non-power NRC-regulated reactors provided there exist no other safety considerations. In addition, the uranium silicide fuel will need to be qualified in a HFIR-specific design. This plan includes the currently available information from the USHPRR Project Functions and Requirements document and expands these requirements to ensure that planned tests have traceable results providing evidence that the requirements have been met. Data collection methods are discussed as well as the process to show that the requirements have been met. This document is designed to provide a pathway for researchers to obtain data necessary and at the appropriate quality level for HFIR fuel qualification.

Shokes, Tamara↗

Hanford Low-Activity Waste Glass Minor Component Concentration Boundary Expansion

This study investigated the effects of increasing concentrations of minor components on simulated Hanford low-activity waste (LAW) glass properties to allow for LAW glass composition envelope expansion. A test matrix of ten glasses was generated by spiking three previously studied simulated Hanford LAW glass compositions with increasing concentrations of minor component mixes up to a total concentration of 2 wt%. In this study, the ten glasses were fabricated, and key properties were measured including crystal formation after canister centerline cooling (CCC), crystallinity as a function of temperature, density, viscosity, electrical conductivity, glass durability using the Vapor Hydration Test (VHT), product consistency using the Product Consistency Test (PCT), and sulfur solubility. The data from these tests are presented in this report.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Tension-compression asymmetry in superelasticity of SrNi 2 P 2 single crystals and the influence of low temperatures

ThCr 2 Si 2 -type intermetallic compounds are known to exhibit superelasticity associated with structural transitions through lattice collapse and expansion. These transitions occur via the formation and breaking of Si-type bonds, respectively, under uniaxial loading along the [0 0 1] direction. Unlike most ThCr 2 Si 2 -type intermetallic compounds, which have either an uncollapsed tetragonal structure or a collapsed tetragonal structure, SrNi 2 P 2 possesses a third type of collapsed structured: a one-third orthorhombic structure, for which one expects the occurrence of unique structural transitions and superelastic behavior. In this study, uniaxial compression and tension tests were conducted on micron-sized SrNi 2 P 2 single crystalline columns at room temperature, 200 K, and 100 K, to investigate the influence of loading direction and temperature on the superelasticity of SrNi 2 P 2 . Experimental data and density functional theory calculations revealed the presence of tension-compression asymmetry in the structural transitions and superelasticity, as well as an asymmetry in their temperature dependence, due to the opposite superelastic process associated with compression (forming P-P bonds) and tension (breaking P-P bonds). Additionally, following thermodynamics, the observations suggest that this asymmetric superelasticity could lead to an opposite elastocaloric effect between compression and tension, which could be beneficial potentially in obtaining large temperature changes compared to conventional superelastic solids that show the same elastocaloric effect regardless of loading direction. Furthermore, these results provide an important fundamental insight into the structural transitions, superelasticity processes, and potential elastocaloric effects in SrNi 2 P 2 .

36 MATERIALS SCIENCE↗

Single Primary Heat Extraction and Removal Emulator (SPHERE) Long Duration Testing

For the development of heat-pipe cooled microreactors, it is crucial to thoroughly understand the characteristics and functioning of heat pipes across a wide spectrum of operating conditions. Passive heat removal and its long-term performance stability are critical factors in this context. Enhanced experimental data is vital for evaluating the operational lifespan of alkali metal heat pipes. Idaho National Laboratory (INL) has successfully conducted an extended duration test on a high-performance sodium-filled heat pipe, closely monitoring the axial temperature profile, power supplied by the heaters, and heat removed by a gas-gap calorimeter. The results from this testing provide valuable data that are instrumental in supporting heat pipe validation efforts. Specifically, this data aids in the development and validation of Sockeye, the Multiphysics Object-Oriented Simulation Environment (MOOSE) tool under the US-DOE NEAMS program designed for heat pipe modeling. By comparing experimental results with Sockeye’s predictions, the tool's accuracy and reliability can be assessed and improved, thereby enhancing its capability to simulate heat pipe operations under various conditions.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

Concept Study of Robotic Camera-Based Foreign Object Detection for EV Wireless Charging

Wireless charging of an electric vehicle (EV) is an emerging charging technology promising convenient, autonomous, and highly efficient EV charging without requiring heavy gauge cables. However, due to the strong electromagnetic field created by this process that surrounds the wireless charger, the presence of foreign objects can detrimentally interact with it, thus affecting wireless power transfer (WPT) performance or leading to harmful and unwanted safety risks. This paper presents the results for a concept study on a robotic camera-based foreign object detection (FOD) system, as a supplement to the industry-existing overlapped FOD coil array method, for EV wireless charging. A Raspberry PI 4 control board and compatible Raspberry PI Camera Module 2 are used to implement camera-based object detection. The FOD program was developed using a state-of-the-art deep learning object detection model with the OpenCV and Pytorch library and is compatible with camera module hardware. A dry-run test with Raspberry PI and a camera module was conducted and the preliminary FOD function was verified. The feasibility assessment is also validated by comparing the performance of five existing state-of-the-art deep learning object detection models for vehicles, animals, persons, and metals subsets, respectively. Satisfactory performance on the benchmark datasets is observed by the tests, but further improvements are needed in future work when detecting small-sized metallic objects. A programable robotic car is also under development as ongoing work for carrying the Raspberry PI and camera module while moving for the maintenance process.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Organizing Large Data Sets for Efficient Analyses on HPC Systems

Upcoming exascale applications could introduce significant data management challenges due to their large sizes, dynamic work distribution, and involvement of accelerators such as graphical processing units, GPUs. In this work, we explore the performance of reading and writing operations involving one such scientific application on two different supercomputers. Our tests showed that the Adaptable Input and Output System, ADIOS, was able to achieve speeds over 1TB/s, a significant fraction of the peak I/O performance on Summit. We also demonstrated the querying functionality in ADIOS could effectively support common selective data analysis operations, such as conditional histograms. In tests, this query mechanism was able to reduce the execution time by a factor of five. More importantly, ADIOS data management framework allows us to achieve these performance improvements with only a minimal amount of coding effort.

Gu, Junmin↗

pnnl/OpenCGRA

OpenCGRA is an open-source framework for modeling, testing, and evaluating CGRAs. The first open-source integrated framework able to support the full top-to-bottom design flow for specializing and implementing CGRAs: modeling at different abstraction levels (functional level, cycle level, register-transfer level) with compiler support, verification at different granularities (unit testing, integration testing, property-based testing), simulation, generation of synthesizable Verilog, and characterization (area, power, and timing).

Cheng, Tan↗

Hydrogen Mitigation Process Installation at Nevada Solar One

The National Renewable Energy Laboratory (NREL) and Acciona Solar Power (ASP) have developed and are implementing a process that addresses the issue of hydrogen buildup in parabolic trough power plants. Our method selectively removes hydrogen from the expansion tanks of the power plant to control hydrogen levels in the circulating heat-transfer fluid (HTF). During previous work, we developed a sensor that measures hydrogen partial pressure in the expansion-tank headspace gas. We demonstrated that our sensor measures hydrogen levels over a wide range of partial pressure—from 1.33 mbar down to 0.003 mbar. More recently, we conceived and developed an integrated process module that performs both hydrogen sensing and separating functions. The sensor/separator measures hydrogen partial pressure in the headspace gas in the same way as our original sensor design. Additionally, the integrated module separates hydrogen from the headspace gas to reduce hydrogen to the level needed to maintain the performance of receivers in the collector field. We demonstrated the performance of a laboratory-scale version of this module. Testing showed that the module performed as expected: the accuracy of the sensing function was ±7%, and the hydrogen extraction rate for the separating mode was consistent with our modeling predictions. The primary benefit of this module is its simple design, both in terms of function and incorporation into the HTF subsystem of the power plant. Most recently, NREL and ASP planned, specified, and designed a mitigation process that is based on the integrated module. We are currently completing installation of this process at ASP's Nevada Solar One power plant in Boulder City, Nevada, USA. The mitigation process is being installed at ground level below the HTF expansion tanks, where it draws headspace gas from the tanks, removes hydrogen, and returns the treated gas back to the tanks. In this paper, we report progress on the installation and describe some of the many design details and challenges that we addressed during the past year. We will generate initial performance data from the Nevada Solar One mitigation process in early 2020.

41 EE - Solar Energy Technologies Office (EE-4S)↗

Second Linear Response Theory and the Analytic Calculation of Excited-State Properties

We present a method based on second linear response time-dependent density func- tional theory (TDDFT) to calculate permanent and transition multipoles of excited states, which are required to compute excited-state absorption/emission spectra, multi- photon optical processes, among others. In previous work, we examined computations based on second linear response theory in which linear response TDDFT was employed twice. In contrast, the present methodology only requires information from a single linear response calculation to compute the excited-state properties. These are eval- uated analytically through various algebraic operations involving electron repulsion integrals and excitation vectors. The present derivation focuses on full many-body wave functions instead of single orbitals, as in our previous approach. Here, we test the proposed method by applying it to several diatomic and triatomic molecules. This shows that the computed excited-state dipoles are consistent with respect to reference equation-of-motion coupled cluster calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Constraining Cosmology with Simulation-based inference and Optical Galaxy Cluster Abundance

We test the robustness of simulation-based inference (SBI) in the context of cosmological parameter estimation from galaxy cluster counts and masses in simulated optical datasets. We construct ``simulations'' using analytical models for the galaxy cluster halo mass function (HMF) and for the observed richness (number of observed member galaxies) to train and test the SBI method. We compare the SBI parameter posterior samples to those from an MCMC analysis that uses the same analytical models to construct predictions of the observed data vector. The two methods exhibit comparable performance, with reliable constraints derived for the primary cosmological parameters, ($\Omega_m$ and $\sigma_8$), and richness-mass relation parameters. We also perform out-of-domain tests with observables constructed from galaxy cluster-sized halos in the Quijote simulations. Again, the SBI and MCMC results have comparable posteriors, with similar uncertainties and biases. Unsurprisingly, upon evaluating the SBI method on thousands of simulated data vectors that span the parameter space, SBI exhibits worsened posterior calibration metrics in the out-of-domain application. We note that such calibration tests with MCMC is less computationally feasible and highlight the potential use of SBI to stress-test limitations of analytical models, such as in the use for constructing models for inference with MCMC.

79 ASTRONOMY AND ASTROPHYSICS↗