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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

FY2025 Status Report: Model 9975 O Ring Fixture Long-Term Leak Performance

Leak testing experiments to monitor the aging performance of Viton® GLT and GLT-S O-rings used in the model 9975 shipping package have been ongoing since 2004 at Savannah River National Laboratory. Seventy tests using mock-up 9975 primary containment vessels (PCVs) with GLT O-rings were assembled and heated to temperatures ranging from 200 to 450 °F. Due to material substitution, fourteen tests with GLT-S O-rings were initiated in 2008 and heated to temperatures ranging from 200 to 400 °F. The conditioning temperatures are elevated compared to the calculated maximum O-ring temperature in a 9975 package in storage, 158 °F, to accelerate aging and enable observations of O-ring failures in a reasonable time frame. The mock-up PCV fixtures are leak tested periodically, and all GLT O-ring fixtures aged at 350 °F or above have failed to maintain a leak-tight seal. Eight GLT O-ring fixtures aged at 300 °F have failed after 2.8 to 5.7 years at temperature while the remaining fixtures at 300 °F were retired from testing following more than five years of aging without failure. Two of these retired fixtures were returned to testing and heated to 350 °F to evaluate the impact of additional heating at higher temperature for aged O-rings. Fixture #20 failed after 3 months while fixture #18 failed after 9 months at 350 °F. These O-rings demonstrated that aged and in-service O-rings can continue to be used, even at higher temperatures, after being in storage, and their leak performance are consistent with other samples at 350 °F. There has been one GLT O-ring fixture which failed after 13.4 years of aging at 200 °F. However, 20 other GLT O-rings aging at 200 °F have remained leak-tight for over 16.9 years and remain in test. There are two GLT O-ring fixtures at 270 °F; one fixture has failed after 12.9 years while the other fixture remains in test after 12.5 years. All GLT-S O-ring fixtures aged at 300 °F or above have failed their leak test. No failures have yet been observed in GLT-S O-ring fixtures aging at 250 °F for 14.9 years, while one GLT-S O-ring fixture failed after 12.4 years at 200 °F. The leak testing data to date suggest the GLT and GLT-S O-rings aging in the K-Area Complex (KAC) storage at temperatures of 158 °F might maintain a leak-tight seal for up to 59 years. Data from the O-ring fixtures are generally consistent with results from compression stress-relaxation testing and provide confidence in the predictive models based on those results. However, uncertainty exists in extrapolating these elevated temperature results to the lower temperatures of interest for normal storage in KAC. The collective data from these test efforts suggest the minimum O-ring service life at KAC normal storage conditions should be at least 34 years for GLT and GLT-S O-rings. Measurement of compression set in O-rings removed from failed fixtures, compared to that from KAC surveillance O-rings, indicate significant margin remains for O-rings still in service in 9975 packages in KAC. Aging and periodic leak testing will continue for the remaining 24 mock-up PCV fixtures.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2018

Improvements to Integrated Tradespace Analysis of Communications Architectures (ITACA) Network Loading Analysis Tool

NASA's SCENIC project aims to simplify and reduce the cost of space mission planning by replicating the analysis capabilities of commercially licensed software which are integrated with relevant analysis parameters specific to SCaN assets and SCaN supported user missions. SCENIC differs from current tools that perform similar analyses in that it 1) does not require any licensing fees, 2) will provide an all-in-one package for various analysis capabilities that normally requires add-ons or multiple tools to complete. As part of SCENIC's capabilities, the ITACA network loading analysis tool will be responsible for assessing the loading on a given network architecture and generating a network service schedule. ITACA will allow users to evaluate the quality of service of a given network architecture and determine whether or not the architecture will satisfy the mission's requirements. ITACA is currently under development, and the following improvements were made during the fall of 2017: optimization of runtime, augmentation of network asset pre-service configuration time, augmentation of Brent's method of root finding, augmentation of network asset FOV restrictions, augmentation of mission lifetimes, and the integration of a SCaN link budget calculation tool. The improvements resulted in (a) 25% reduction in runtime, (b) more accurate contact window predictions when compared to STK(Registered Trademark) contact window predictions, and (c) increased fidelity through the use of specific SCaN asset parameters.

analysis↗
DOE OSTI2012

EVALUATION OF U10MO FUEL PLATE IRRADIATION BEHAVIOR VIA NUMERICAL AND EXPERIMENTAL BENCHMARKING

This article analyzes dimensional changes due to irradiation of monolithic plate-type nuclear fuel and compares results with finite element analysis of the plates during fabrication and irradiation. Monolithic fuel plates tested in the Advanced Test Reactor (ATR) at Idaho National Lab (INL) are being used to benchmark proposed fuel performance for several high power research reactors. Post-irradiation metallographic images of plates sectioned at the midpoint were analyzed to determine dimensional changes of the fuel and the cladding response. A constitutive model of the fabrication process and irradiation behavior of the tested plates was developed using the general purpose commercial finite element analysis package, Abaqus. Using calculated burn-up profiles of irradiated plates to model the power distribution and including irradiation behaviors such as swelling and irradiation enhanced creep, model simulations allow analysis of plate parameters that are either impossible or infeasible in an experimental setting. The development and progression of fabrication induced stress concentrations at the plate edges was of primary interest, as these locations have a unique stress profile during irradiation. Additionally, comparison between 2D and 3D models was performed to optimize analysis methodology. In particular, the ability of 2D and 3D models account for out of plane stresses which result in 3-dimensional creep behavior that is a product of these components. Results show that assumptions made in 2D models for the out-of-plane stresses and strains cannot capture the 3-dimensional physics accurately and thus 2D approximations are not computationally accurate. Stress-strain fields are dependent on plate geometry and irradiation conditions, thus, if stress based criteria is used to predict plate behavior (as opposed to material impurities, fine micro-structural defects, or sharp power gradients), unique 3D finite element formulation for each plate is required.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Stabilizing a strongly nonlinear structure through shaker dynamics in fixed frequency voltage control tests

Bifurcations are commonly encountered during force controlled swept and stepped sine testing of nonlinear structures, which generally leads to the so-called jump-down or jump-up phenomena between stable solutions. There are various experimental closed-loop control algorithms, such as control-based continuation and phase-locked loop, to stabilize dynamical systems through these bifurcations, but they generally rely on specialized control algorithms that are not readily available with many commercial data acquisition software packages. A recent method was developed to experimentally apply sequential continuation using the shaker voltage that can be readily deployed using commercially available software. By utilizing the stabilizing effects of electrodynamic shakers and the force dropout phenomena in fixed frequency voltage control sine tests, this approach has been demonstrated to stabilize the unstable branch of a nonlinear system with three branches, allowing for three multivalued solutions to be identified within a specific frequency bandwidth near resonance. Recent testing on a strongly nonlinear system with vibro-impact nonlinearity has revealed jumping behavior when performing sequential continuation along the voltage parameter, like the jump phenomena seen during more traditional force controlled swept and stepped sine testing. Here, this paper investigates the stabilizing effects of an electrodynamic shaker on strongly nonlinear structures in fixed frequency voltage control tests using both numerical and experimental methods. The harmonic balance method is applied to the coupled shaker-structure system with an electromechanical model to simulate the fixed voltage control tests and predict the stabilization for different parameters of the model. The simulated results are leveraged to inform the design of a set of experiments to demonstrate the stabilization characteristics on a fixture-pylon assembly with a vibro-impact nonlinearity. Through numerical simulation and experimental testing on two different strongly nonlinear systems, the various parameters that influence the stability of the coupled shaker-structure are revealed to better understand the performance of fixed frequency voltage control tests.

42 ENGINEERING↗
DOE OSTI2020

Evaluation of the Four-Dimensional Ensemble-Variational Hybrid Data Assimilation with Self-Consistent Regional Background Error Covariance for Improved Hurricane Intensity Forecasts

The feasibility of a hurricane initialization framework based on the Gridpoint Statistical Interpolation (GSI)-based four-dimensional ensemble-variational (GSI-4DEnVar) hybrid data assimilation system for the Hurricane Weather Research and Forecasting model (HWRF) model is evaluated in this study. The system considers the temporal evolution of error covariances via the use of four-dimensional ensemble perturbations that are provided by high-resolution, self-consistent HWRF ensemble forecasts. It is different from the configuration of the GSI-based three-dimensional ensemble-variational (GSI-3DEnVar) hybrid data assimilation system, similar to that used in the operational HWRF, which employs background error covariances provided by coarser-resolution global ensembles from the National Centers for Environmental Prediction (NCEP) Global Forecast System (GFS) ensemble Kalman filtering data assimilation system. In addition, our proposed initialization framework discards the empirical intensity correction in the vortex initialization package that is employed by the GSI-3DEnVar initialization framework in operational HWRF. Data assimilation and numerical simulation experiments for Hurricanes Joaquin (2015), Patricia (2015), and Matthew (2016) are conducted during their intensity changes. The impacts of two initialization frameworks on the HWRF analyses and forecasts are compared. It is found that GSI-4DEnVar leads to a reduction in track, minimum sea level pressure (MSLP), and maximum surface wind (MSW) forecast errors in all of the HWRF simulations, compared with the GSI-3DEnVar initialization framework. With assimilating high-resolution observations within the hurricane inner-core region, GSI-4DEnVar can produce the initial hurricane intensity reasonably well without the empirical vortex intensity correction. Further diagnoses with Hurricane Joaquin indicate that GSI-4DEnVar can significantly alleviate the imbalances in the initial conditions and enhance the performance of the data assimilation and subsequent hurricane intensity and precipitation forecasts

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Real-Time Optimization Workflow Status Update

Economically optimal and safe operation of integrated energy systems (IES) requires optimization at many different time scales. A real-time optimization (RTO) workflow will attempt to maximize revenue and minimize operational costs on a time scale of minutes to hours. Such a workflow requires the use of a digital twin (DT), which is a virtual representation of a physical system. The DT is updated using real-time data from the physical system, and serves as a model in an optimization framework. The optimization results are then sent back to the physical system to complete the loop. This report details the progress made in developing building blocks for a DT/RTO framework. The Risk Analysis Virtual Environment (RAVEN) platform within the Framework for Optimization of Resources and Economics (FORCE) tool suite can perform many of the tasks required for building a DT and performing RTO. The first item of this report details RAVEN enhancements that enable RAVEN workflows to be run in various environments. Data communication between the physical system and its DT is essential for successful RTO. This includes preprocessing real-time data, loading data into a data warehouse, and querying the stored data. The second section of this report describes the progress made in implementing an adapter in Python in order for Deep Lynx to handle the data communication. Typical dispatch optimization frameworks are built on linear programming (LP). The prototype RTO workflow developed in this report uses an LP problem as a part of a receding-horizon- or economic model predictive control (EMPC) based optimization. The third section of this report details the framework of an RTO workflow in which the system consists of a simple electrical storage device. A DT can be built from a reduced-order model (ROM). Integrating a ROM into a typical LP optimization framework has been challenging because most optimization packages require the user to write algebraic expressions for the system model. The final section of this report shows how an externally built RAVEN ROM can be integrated in an RTO framework by using the Python package Pyomo. This demonstrates the RTO workflow capability from a software-only perspective and is an important step in demonstrating the capability to implement an RTO workflow for a physical system.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Simulations of Water Flow in Relation to a Steady Criticality in an Unsaturated Alluvial Repository

Oak Ridge National Laboratory (ORNL) is examining the conditions under which a criticality event could be ruled out for large packages placed in an unsaturated alluvial repository. This work specifically examines the water level in a stylized waste package that is assumed (1) to fail on the top, and (2) to empty as water is driven away—not by boiling—but by fluid flow phenomena driven by thermal gradients. This analysis uses the PFLOTRAN code package. Specifically, this year’s work includes examination of the heat rate at which water is driven away for various percolation rates using the same assumptions listed in the 2022 annual report. The STANDARDS (formerly UNF-ST&DARDS) package has predicted dual-purpose canister (DPC) neutron multiplication factors (k-effectives) ranging above 1.1 (unitless) with failed components. The DPC designs were not created with the intent to use for disposal purposes. Emplacing such packages may be worth consideration if it can be shown that criticality is either extremely unlikely or of very low consequence to the repository’s safety case. This work aims to help establish hydrologic boundary conditions for a highly hypothetical, highly stylized subsurface criticality event. The approach to critical is assumed to be slow, producing steady heating rates under a few kilowatts. For a DPC containing capillary media, the simulated power required for dry-out was proportional to the percolation rate but was unaffected by the size of a large breech on top of the DPC. Results for single cases with no capillary media in the DPC suggest that higher infiltration rates may be required in those cases to cause flooding. Bounding mechanisms and assumptions must be identified and characterized further by performing additional perturbations to various input parameters to demonstrate robustness of the results. This might be accomplished by examining responses to power pulses to determine the system transfer function required to enable a reduced order feedback model.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2004

A Selected Operational History of the Internal Thermal Control System (ITCS) for International Space Station (ISS)

The Internal Thermal Control System (ITCS) has been developed jointly by Boeing Corporation, Huntsville, Alabama and Honeywell Engines & Systems, Torrance, California to meet the internal thermal control needs for the International Space Station (ISS). The ITCS provides heat removal for the critical life support systems and thermal conditioning for numerous experiment racks. The ITCS will be fitted on a number of modules on the ISS. The first US Element containing the ITCS, Node 1, was launched in December 1998. Since Node 1 does not contain a pump to circulate the fluid it was not filled with ITCS fluid until after the US Laboratory Module was installed. The second US Element module, US Laboratory Module, which contains the pumps and all the major ITCS control hardware, was launched in February 2001. The third US Element containing the ITCS, the US Airlock, was launched in July 2001. The dual loop system of the ITCS is comprised of a lowtemperature loop (LTL) and a moderate-temperature loop (MTL). Each loop has a pump package assembly (PPA), a system flow control assembly (SFCA), a threeway mixing valve (TWMV), several rack flow control assemblies (RFCA), cold plates, pressure sensors, temperature sensors, pump bypass assembly (PBA) and a heat exchanger. In addition, the MTL has an additional TWMV, a payload regeneration heat exchanger (P/RHE) and a manual flow control valve (MFCV). The LTL has a service performance and checkout unit (SPCU) heat exchanger. The two loops are linked via one loop crossover assembly (LCA) providing cross loop capabilities and a single PPA, two-loop functionality. One important parameter monitored by the ground stations and on-orbit is the amount of fluid leakage from the ITCS. ISS fluid leakage is of importance since ITCS fluid is costly to re-supply, may be difficult to clean up in zero-g, and if uncontained could lead to equipment failures and potential hazards. This paper examines the nominal leakage observed over period of a year of on-orbit operation and compares this with analysis predictions. This paper also addresses the off-nominal leakage and a fluid transfer event causing significant changes in accumulator quantity.

Patel, Vipul P.↗
NASA NTRS2015

Comparison of Computational and Experimental Results for a Transonic Variable-Speed Power-Turbine Blade Operating with Low Inlet Turbulence Levels

A computational assessment of the aerodynamic performance of the midspan section of a variable-speed power-turbine blade is described. The computation comprises a periodic single blade that represents the 2-D Midspan section VSPT blade that was tested in the NASA Glenn Research Center Transonic Turbine Blade Cascade Facility. A commercial, off-the-shelf (COTS) software package, Pointwise and CFD++, was used for the grid generation and RANS and URANS computations. The CFD code, which offers flexibility in terms of turbulence and transition modeling options, was assessed in terms of blade loading, loss, and turning against test data from the transonic tunnel. Simulations were assessed at positive and negative incidence angles that represent the turbine cruise and take-off design conditions. The results indicate that the secondary flow induced at the positive incidence cruise condition results in a highly loaded case and transitional flow on the blade is observed. The negative incidence take-off condition is unloaded and the flow is very two-dimensional. The computational results demonstrate the predictive capability of the gridding technique and COTS software for a linear transonic turbine blade cascade with large incidence angle variation.

turbomachinery↗
NASA NTRS2015

Comparison of Computational and Experimental Results for a Transonic Variable-speed Power-Turbine Blade Operating with Low Inlet Turbulence Levels

A computational assessment of the aerodynamic performance of the midspan section of a variable-speed power-turbine blade is described. The computation comprises a periodic single blade that represents the 2-D Midspan section VSPT blade that was tested in the NASA Glenn Research Center Transonic Turbine Blade Cascade Facility. A commercial, off-the-shelf (COTS) software package, Pointwise and CFD++, was used for the grid generation and RANS and URANS computations. The CFD code, which offers flexibility in terms of turbulence and transition modeling options, was assessed in terms of blade loading, loss, and turning against test data from the transonic tunnel. Simulations were assessed at positive and negative incidence angles that represent the turbine cruise and take-off design conditions. The results indicate that the secondary flow induced at the positive incidence cruise condition results in a highly loaded case and transitional flow on the blade is observed. The negative incidence take-off condition is unloaded and the flow is very two-dimensional. The computational results demonstrate the predictive capability of the gridding technique and COTS software for a linear transonic turbine blade cascade with large incidence angle variation.

rotary wing↗
DOE OSTI2022

MPC4CLR (Model-Predictive-Control-for-Critical-Load-Restoration-in-Power-Distribution-Systems) [SWR-22-24]

Model predictive control (MPC) is a system or process control technique for making decisions under uncertainty via rolling look-ahead optimizations at each control step where only the current step decisions are applied, and the rest are discarded. In this work, we developed an MPC for a critical load restoration (CLR) in power distribution systems to recover system service (electricity delivery) following an extreme event-triggered substation outage. The method considers the problem of controlling distributed energy resources (DERs) of the distribution system with the objective of achieving maximum load pick up while satisfying distribution network flow and voltage constraints. A linearized optimal power flow (OPF) model is employed to represent the physics of the network. The problem formulation is augmented with a ramping (up) reserve product for the DERs to ensure improved and upward monotonic load restoration as time evolves. Simulation analysis and performance tests are performed using a modified IEEE 13-bus test feeder integrated with wind, solar, microturbine, and energy storage battery. The software is developed using various software packages in Julia and Python. The MPC model is implemented using the JuMP optimization language in Julia while the data analytics including renewable generation and load demand forecasts, running the MPC simulation and visualizations is performed in Python.

Eseye, Abinet Tesfaye↗
DOE OSTI2015

Technetium, Iodine, and Chromium Adsorption/Desorption Kd Values for Vadose Zone Pore Water, ILAW Glass, and Cast Stone Leachates Contacting an IDF Sand Sequence

Performance and risk assessments of immobilized low-activity waste (ILAW) at the Integrated Disposal Facility (IDF) have shown that risks to groundwater are quite sensitive to adsorption-desorption interactions occurring in the near- and far-field environment. These interactions between the underlying sediments and the contaminants present in the leachates that descend from the buried glass, secondary waste grouts, and potentially Cast Stone low-activity waste packages have been represented in these assessments using the contaminant distribution coefficient (Kd) construct. Some contaminants (99Tc, 129I, and Cr) present in significant quantities in these wastes have low Kd values and tend to drive risk to public health and the environment. Relatively small changes in the Kd value can cause relatively large changes in the retardation factor. Thus, even relatively small uncertainty in the Kd value can result in a relatively large uncertainty in the risk determined through performance assessment modeling. The purpose of this study is to further reduce the uncertainty in Kd values for 99Tc, iodine (iodide and iodate), and Cr (chromate; CrO42-) by conducting systematic adsorption-desorption experiments using actual sand-dominated Hanford formation sediments from beneath the IDF and solutions that closely mimic Hanford vadose zone pore water and leachates from Cast Stone and ILAW glass waste forms. Twenty-four batch and 21 flow-through column experiments were conducted, yielding 261 Kd measurements for these key contaminants, and contributing to our understanding for predicting transport from wastes disposed to the IDF. While the batch Kd methodology is not well-suited for measuring Kd values for non-sorbing species (as noted by the U.S. Environmental Protection Agency), the batch Kd results presented here are not wholly inconsistent with the column Kd results, and could be used for sensitivity purposes. Results from the column experiments are consistent with the best estimate and lower range of Kd values reported by Krupka et al. and Cantrell et al.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Nonlinear Feature Extraction and Energy Dissipation of Foam/Metal Interfaces

The physical mechanisms of energy dissipation in foam to metal interfaces must be understood in order to develop predictive models of systems with foam packaging common to many aerospace and aeronautical applications. Experimental data was obtained from hardware termed Ministack, which has large, unbonded interfaces held under compressive preload. This setup has a solid aluminum mass placed into two foam cups which are then inserted into an aluminum can and fastened with a known preload. Ministack was tested on a shaker using upward sine sweep base acceleration excitations to estimate the linearized natural frequency and energy dissipation of the first axial mode. The experimental system was disassembled and reassembled before each series of tests in order to observe the effects of the assembly to assembly variability on the dynamics. Additionally, Ministack was subjected to upward and downward sweeps to gain some understanding of the nonlinearities. Finally, Ministack was tested using a transient input, and the ring down was analyzed to find the effective stiffness and damping. There are some important findings in the measured data: there is significant assembly to assembly variability, the order in which the sine sweeps are performed influence s the dynamic response, and the system exhibits nontrivial damping and stiffness nonlinearities that must be accounted for in modeling efforts .

42 ENGINEERING↗
DOE OSTI2024

Assessment of Readout Techniques for Passive Monitors

This fiscal year (FY) 2023 report on passive temperature sensors covers two main objectives: to demonstrate that the optical dilatometer can successfully process disc shaped silicon carbide (SiC) temperature monitors (TMs), and to demonstrate proof of concept for using the capacitance readout method to read printed melt wires. The SiC objective was successfully met by annealing and analyzing, via optical dilatometry, all eight 3-mm SiC discs provided by the Nuclear Science User Facilities (NSUF) Idaho State University (ISU) Nanostructured Steels for Enhanced Radiation Tolerance (N SERT) experiment, which was irradiated at Idaho National Laboratory (INL)’s Advanced Test Reactor (ATR). Per the ISU N SERT experiment, capsule 1 (KGT 3828 1 and KGT 3828-2) had a design temperature of 300°C +/- 50°C and an exposure of 2 dpa +/- 10%; capsule 2 (KGT 4600 and KGT 4609) had a design temperature of 300°C +/- 50°C and an exposure of 6 dpa +/- 10%; capsule 3 (KGT 4639 C and KGT 4639-D) had a design temperature of 500°C +/- 50°C and an exposure of 6 dpa +/- 10%; and capsule 4 (KGT 3841 3 and KGT 3841 4) had a design temperature of 500°C +/- 50°C and an exposure of 2 dpa +/- 10%. The target exposure rates, in dpa, are the neutron damage for various types of nanostructured steels. All but three SiC TMs (KGT 4600, KGT 4639 D, and KGT 3841 4) revealed averaged peak irradiation temperatures that fell within the design temperature ranges. The three SiC TMs that did not fall within the design temperatures ranges were at least 100°C below that target temperature. Furthermore, SiC TM KGT 3841 C revealed two irradiation regimes: one closer to the 300°C design temperature, and the other closer to the 500°C design temperature. Also, all the SiC TMs’ averaged peak irradiation temperatures came in anywhere between 20°C and 240°C below the irradiation temperatures predicted by the thermal models. This showed the optical dilatometry method to be a reliable and less time intensive process for determining averaged peak irradiation temperatures from passive SiC TMs such as rods and discs. Under the Advanced Sensors and Instrumentation (ASI) program in FY-23, Boise State University (BSU) proposed to demonstrate proof of concept for using a capacitance readout technique applicable to printed melt wires; however, they were stymied by the complexity of the capacitance readout method. In support of the BSU work, INL developed an additively manufactured (AM) ceramic package for encapsulating the new melt wires. Inks were synthesized at BSU that used new protocols rather than following previously established protocols implemented at INL, and testing of various temperatures was conducted at BSU to evaluate the melting behaviors of the printed melt wires. The result was that the capacitance readout technique showed promise but also created more challenges than originally anticipated. For example, the tin ink synthesized at BSU showed unusual melting behaviors that did nothing to enhance the performance of the final printed melt wire prototype in terms of the capacitance readout method. To make the proof of concept work when applied to the printed melt wires, the ASI program would need to invest further resources and time. Consequently, the program is not planning to continue this proof of concept work in FY-24, based on the progress and findings achieved in FY-23.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Performance of U{sub 3}Si{sub 2} fuel in a reactivity insertion accident

In this study we examined the performance of the U{sub 3}Si{sub 2} fuel cladded with Zircaloy (Zr) in a reactivity insertion accident (RIA) in a PWR core. The power excursion as a result of a $1 reactivity insertion was calculated by a TRACE PWR plant model using point-kinetics, for alternative cores with UO{sub 2} and U{sub 3}Si{sub 2} fuel assemblies. The point-kinetics parameters (feedback coefficients, prompt-neutron lifetime and group constants for six delayed neutron groups) were obtained from beginning-of-cycle equilibrium full core calculations with PARCS. In the PARCS core calculations, the few-group parameters were developed utilizing the TRITON/NEWT tools in the SCALE package. In order to assess the fuel response in finer detail (e.g. the maximum fuel temperature), the power shape and thermal boundary conditions from the TRACE/PARCS calculations were used to drive a BISON model of a fuel pin with U{sub 3}Si{sub 2} and UO{sub 2} respectively. For a $1 reactivity transient, both TRACE and BISON predicted a higher maximum fuel temperature for the UO{sub 2} fuel than the U{sub 3}Si{sub 2} fuel. Furthermore, BISON is noted to calculate a narrower gap and a higher gap heat transfer coefficient than TRACE. This resulted in BISON predicting consistently lower fuel temperatures than TRACE. This study also provided a systematic comparison between TRACE and BISON using consistent transient boundary conditions. The TRACE analysis of the RIA only reflected the core-wide response in power. A refinement to the analysis would be to predict the local peaking in a three-dimensional core as a result of control rod ejection and at hot zero power conditions. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2019

High Energy Micron Scale Pixel Hybrid Detector

The objective of this technology development project has been to fabricate and characterize a new X-ray area image sensor innovation designed for high efficiency detection and imaging of hard X-rays (>20 KeV) with micron scale pixel resolution. A key technology component consists of a monolithic hybrid X-ray detector built by layering an amorphous Selenium X-ray photoconductor film directly deposited on a small pitch (7.8μm) CMOS active pixel readout array. A specific goal of this work is to provide a new detector tool to researchers working with synchrotron light sources, to extend the depth of exploration into nanoscale structures, and do so cost effectively. Early generation X-ray imaging detector tools fail to provide adequate resolving power and efficiency at high energies and our innovation provides a solution. A majority of proposed phase I tasks were completed. Those tasks included, in collaboration with KA Imaging, successful fabrication of specified a-Se layers on a 1Mpixel CMOS readout array to create the direct hybrid X-ray imaging array, packaging of the imaging array, assembly of electronics into a shielded detector box, loading user interface software for camera control and image capture, and performing initial (no X-ray) detector evaluation at Farrier Microengineering facilities. After initial tests, extensive testing using the X-ray beam line 1-BM source at Argonne National Laboratory Advanced Photon Source(ANL-APS) was performed. Imaging performance studies were conducted at multiple X-ray beam energies. Studies included X-ray response vs. X-ray energy, vs. applied detector field strength (HV), response linearity vs. integration time, MTF vs. beam energy, image lag measurements, and micron scale resolution pattern target imaging. This high energy micron scale X-ray detection technology is a first of a kind to be evaluated at the ANL-APS and is supported by Dr. Antonino Miceli, head of the detector physics group. Accomplishments include the first successful demonstration of a 1Mpix amorphous Selenium on CMOS readout direct hybrid X-ray imaging detector at a DOE sponsored National Laboratory. Modeled performance predictions were confirmed, proving micron scale resolution as well as an order of magnitude increase in conversion efficiency over conventional scintillator detector performance. A discovery of evidence of propagation-based phase contrast edge enhancement was unplanned and will be exploited in future experiments. This phase 1 technology demonstration verifies the efficacy of proposed high energy micron scale pixel X-ray hybrid a-Se imaging array products. The new detector products will cost effectively replace early generation detector technologies that currently fail to address increasing demand for tools to study nano structures and physical processes at high X-ray energies above 20keV. For example, current systems for transmission X-ray microscopy have low efficiency and available large pixel (~55µm) direct detectors do not offer sufficient resolution for Bragg fringe imaging at high energies. This detector innovation will solve these inadequacies. The new detector technology will compete in a $50M scientific X-ray detector market, growing at 6%, and will benefit Microtomography(µCT), X-ray diffractometry (XRD), Coherent Diffraction Imaging (CDI) applications. One application specified by Dr. Miceli at ANL is the 3D reconstruction of compact crystals at high energies requires small pixel high efficiency X-ray detectors. Farrier Microengineering, working with colleagues at KA Imaging and the University of Waterloo, successfully achieved the critical objectives of the Phase I proposal. We have proven the technical feasibility of this innovation by building and successfully testing a 1Mpixel a-Se/CMOS hybrid direct X-ray imaging array. Our commercialization roadmap of detector products will be implemented during a phase II project. We will demonstrate a migration of the technology to larger detector array sizes, improved temporal performance with detector layer engineering, and improved environmental and operational stability. Manufacturability and cost effectiveness are key objectives and product designs will leverage current state of the art CMOS wafer fabrication quality and volume manufacturing economics.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Equilipy: a python package for calculating phase equilibria

The CALPHAD (CALculation of PHAse Diagram) approach (Nigel Saunders & Miodownik, 1998) provides predictions for thermodynamically stable phases in multicomponent-multiphase materials across a wide range of temperatures. Consequently, the CALPHAD calculations became an essential tool in materials and process design (Luo, 2015). Such design tasks frequently require navigating a high-dimensional space due to multiple components involved in the system. This increasing complexity demands high-throughput CALPHAD calculations, especially in the rapidly evolving field of alloy design. In response to the need, we developed Equilipy an open-source Python package designed for calculating phase equilibria of multicomponent-multiphase systems. Equilipy is specifically tailored for high-throughput CALPHAD calculations, offering parallel computations across multiple processors and nodes with the given NPT input conditions namely elemental compositions (N), pressure (P), and temperature (T). Equilipy utilizes the program structure and Gibbs energy functions from the Fortran-based program, Thermochimica (Piro et al., 2013), with incorporating a new Gibbs energy minimization algorithm. This algorithm, originally developed by Capitani and Brown in 1987 (Capitani & Brown, 1987), has been revised and implemented to enhance the stability and performance of calculations. The Fortran codes are precompiled and interfaced with Python via F2PY, ensuring high computation speed. Benchmark tests shown in Figure 1 demonstrate that Equilipy’s computation speed is comparable to those of established commercial software, TC-Python and PanPython. This result highlights its efficiency and potential applications in various scientific and industrial fields.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2012

Reynolds-Averaged Turbulence Model Assessment for a Highly Back-Pressured Isolator Flowfield

The use of computational fluid dynamics in scramjet engine component development is widespread in the existing literature. Unfortunately, the quantification of model-form uncertainties is rarely addressed with anything other than sensitivity studies, requiring that the computational results be intimately tied to and calibrated against existing test data. This practice must be replaced with a formal uncertainty quantification process for computational fluid dynamics to play an expanded role in the system design, development, and flight certification process. Due to ground test facility limitations, this expanded role is believed to be a requirement by some in the test and evaluation community if scramjet engines are to be given serious consideration as a viable propulsion device. An effort has been initiated at the NASA Langley Research Center to validate several turbulence closure models used for Reynolds-averaged simulations of scramjet isolator flows. The turbulence models considered were the Menter BSL, Menter SST, Wilcox 1998, Wilcox 2006, and the Gatski-Speziale explicit algebraic Reynolds stress models. The simulations were carried out using the VULCAN computational fluid dynamics package developed at the NASA Langley Research Center. A procedure to quantify the numerical errors was developed to account for discretization errors in the validation process. This procedure utilized the grid convergence index defined by Roache as a bounding estimate for the numerical error. The validation data was collected from a mechanically back-pressured constant area (1 2 inch) isolator model with an isolator entrance Mach number of 2.5. As expected, the model-form uncertainty was substantial for the shock-dominated, massively separated flowfield within the isolator as evidenced by a 6 duct height variation in shock train length depending on the turbulence model employed. Generally speaking, the turbulence models that did not include an explicit stress limiter more closely matched the measured surface pressures. This observation is somewhat surprising, given that stress-limiting models have generally been developed to better predict shock-separated flows. All of the models considered also failed to properly predict the shape and extent of the separated flow region caused by the shock boundary layer interactions. However, the best performing models were able to predict the isolator shock train length (an important metric for isolator operability margin) to within 1 isolator duct height.

Baurle, Robert A.↗