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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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At least 109 records · Page 6

Chemical Passivation of Crystalline Si by Al 2 O 3 Deposited Using Atomic Layer Deposition: Implications for Solar Cells

The atomistic-level mechanism for the chemical passivation of the monocrystalline Si (c-Si) surface with thermally annealed Al 2 O 3 was studied using in situ infrared spectroscopy and photoconductance decay measurements. Al 2 O 3 was deposited on high-lifetime, float-zone c-Si substrates using atomic layer deposition (ALD) from trimethylaluminum (TMA), and H 2 O or O 3 . Surface-sensitive attenuated total reflection Fourier transform infrared spectroscopy was used to monitor the c-Si/Al 2 O 3 interface, as well as the bulk of the Al 2 O 3 film during the entire process. Our results show that some surface Si–H bonds are preserved after the ALD of Al 2 O 3 on H-terminated Si. During the annealing step at 400 °C, restructuring occurs at the c-Si/Al 2 O 3 interface to form interfacial SiO x . Isotope labeling was used to differentiate interfacial SiD bonds on the c-Si surface from H incorporated in Al 2 O 3 . Within the sensitivity of our infrared setup (~10 13 cm –2 ), we did not observe any net migration of atomic H or D from Al 2 O 3 to the c-Si/Al 2 O 3 interface. To isolate the effects of chemical and field-effect passivation of Al 2 O 3 thin films, we carried out surface passivation studies on c-Si/SiO 2 /Al 2 O 3 stacks. We also annealed these stacks in different atmospheres to test the influence of annealing atmospheres on the chemical passivation of c-Si by Al 2 O 3 and observed that O 2 -containing atmosphere led to the best surface chemical passivation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Lowering and Runtime Support for Fortran’s Multi-Image Parallel Features using LLVM Flang, PRIF, and Caffeine

This paper provides an overview of the multi-image parallel features in Fortran 2023 and their implementation in the LLVM flang compiler and the Caffeine parallel runtime library. The features of interest support a Single-Program, Multiple-Data (SPMD) programming model based on executing multiple “images”, each of which is a program instance. The features also support a Partitioned Global Address Space (PGAS) in the form of “coarray” distributed data structures. The paper discusses the lowering of multi-image features to the Parallel Runtime Interface for Fortran (PRIF) and the implementation of PRIF in the Caffeine parallel runtime library. This paper also provides an early view into the design of a new multi-image dialect of the LLVM Multi-Level Intermediate Representation (MLIR). We describe validation and testing of the resulting software stack, and demonstrate that performance compares favorably to another open-source compiler and runtime library: GNU Compiler Collection (GCC) gfortran and OpenCoarrays, respectively.

Bonachea, Dan↗

Spack-Manager

SAND2022-3282 O Spack-Manager is a lightweight wrapper for streamlining the software development and deployment cycle using Spack. Spack-Manager creates a uniform framework for developing, testing, and deploying specific software stacks for projects across multiple platforms while utilizing Spack as much as possible. It organizes Spack extensions, machine configurations, project customizations, and tools for features that are mostly project specific. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Sakievich, Philip↗

Intelligent Monitoring System for Real-time Geologic Storage, Optimization, and Reservoir Management

The objective of the subtask was to develop a near-real-time monitoring system for seismic data at the Decatur, IL, geologic carbon sequestration (GCS) site and specifically include fiber-optic cable derived distributed acoustic signal (DAS) data in the process. Owing to the large volumes of data, we opted to utilize existing deep borehole conventional seismic sensors for detection and pull DAS and shallow borehole seismic data once a detection has been made. Unfortunately, the horizontal fiber-optic cables did not yield microseismic signals for use in locating events near the GCS site. Various stacking and filtering approaches were tested without any coherent detection becoming apparent. We attribute the insensitivity to local microseismic events to a lack of coupling in downhole, vertical cable and the non-ideal alignment of the horizontal fiber-optic cable to the vertically polarized seismic energy. Despite the inability to detect and utilize the DAS data from the fiber-optic cables, we developed a general processing framework that enables easy adaptation for future deployment of fiber-optic cables with better suited alignment at Decatur or elsewhere.

Kaven, J. Ole↗

Flow Measurements in Pressurized Helium Gas Cooling Channels

Production of metastable Technetium-99 (Tc-99m) is vital to the medical imaging community. It is a radioactive tracer that emits gamma rays as it decays and it is these gamma rays that are then detected through imaging. Tc-99m is extracted from the decay of Molybdenum-99 (Mo-99) which has a half-life of about 2-3 days. One method of generating Mo-99 is using accelerator based technology, through the irradiation of Mo-100 using an electron beam. This is part of the NNSA’s mission to produce Mo-99 commercially, within the US, without the use of highly enriched uranium (HEU) in support of nonproliferation and global security. Los Alamos National Laboratory (LANL) is working with NorthStar medical Radioisotopes (NMR) on their efforts to produce Mo-99 from the irradiation of Mo-100 targets. The NMR target consists of an Inconel window that allows the electron beam to penetrate and irradiate a stack of Mo-100 discs. The irradiation process generates large amounts of heat and requires extensive cooling of the Mo-100 targets and target housing using pressurized helium gas. Before beam on target, the design of the target stack and target housing is tested at LANL using laser based diagnostics experiments. We quantify the velocity field of the helium gas around the target housing to estimate whether the cooling provided is sufficient for the design and to validate computational fluid dynamics (CFD) models. Fiber optic imaging is also developed for use during cold testing (without beam on target) as well as during irradiation, to obtain real time information on disc performance.

07 ISOTOPE AND RADIATION SOURCES↗

Microwatt Fuel Cell for Long-Term and Wide Ambient Temperature Range Operation

A small microwatt fuel cell stack and system was designed, fabricated, and tested for passive operation with pure H 2 and O 2 to provide continuous power for multiple decades with uncontrolled fluctuating ambient conditions. The stack was designed to operate with dead ended gas flows with water removal via passive membrane diffusion to notches in the bipolar plates. Additional requirements for decades long operation is minimizing H 2 and O 2 consumption, specifically membrane cross-over; to minimize cross-over, stacks were built with layered membranes of 100 µm and 400 µm. Here, the stack spatial water concentration level was monitored during operation by in situ neutron imaging to evaluate the passive water management design. Operation was verified by testing at temperatures ranging from -55 °C to 80 °C, including periodic pulses in power.

08 HYDROGEN↗

New Fuel Cell Membranes with Improved Durability and Performance

The objective of this project was to meet all the DOE Fuel Cell Technologies Office Multi-Year Research, Development and Demonstration Plan for membrane performance, durability and cost targets simultaneously with a single membrane. The approach was to develop new proton exchange membranes, integrate them into membrane electrode assemblies (MEA’s) and then evaluate them in single fuel cells and finally fuel cell stacks. These membranes were based on Multi Acid Side Chain (MASC) ionomers containing stabilizing additives and reinforced with electrospun nanofibers. The ionomers developed at 3M are based on a fluorinated polymer with side chains that contain one or more sulfonamide groups and a sulfonic acid group. Both of these groups facilitate proton transport and ionomers were made that show exceptional conductivity, especially at hot and dry conditions. At the same time, 3M and Vanderbilt University developed new mechanical support technology based on electrospun nanofibers. The membranes made by combining the new ionomers and nanofiber supports were evaluated at 3M and General Motors and met all the DOE technical targets except for one; the resistance at 120°C and 40 kPa water vapor pressure. A detailed analysis of the membrane requirements needed to meet this target was completed.The DOE cost target was evaluated internally but not publicly disclosed. In the final year of the project a durability issue was identified with the sulfonimide link in the MASC polymer. Accelerated durability testing revealed a decay in performance along with an increase in membrane resistance. And, despite the fact that all but one of DOE technical targets and both Go/No Go milestones were met in the fourth and eight quarters, the membranes developed in this project could not pass the final project milestone of 2,000 hours testing in an automotive fuel cell stack at GM. Work in the final year focused on understanding the nature of the ionomer stability. New test methods were employed such as multilayer membrane tests that allowed for detailed analysis of membranes at the end of life. Model compound studies of small molecules were initiated to investigate the stability of the sulfonimide and other functional groups present in the ionomer. At the conclusion of the project, an effective strategy to improve the ionomer stability has yet to be identified. Despite the setback with the ionomer stability, this project has demonstrated significant advances in the field of fluorinated proton exchange membranes for automotive and other applications. The concept of multi-acid side chain ionomers had proven to be an effective strategy to reduce membrane resistance and electrospun nanofibers proven to be a viable mechanical support technology. We intend to build on these results in future membrane development efforts.

08 HYDROGEN↗

Pipe Overpack Container Fire Testing: Phase II-B

The Pipe Overpack Container (POC) was developed at Rocky Flats to transport plutonium residues with higher levels of plutonium than standard transuranic (TRU) waste to the Waste Isolation Pilot Plant (WIPP) for disposal. In 1996 Sandia National Laboratories (SNL) conducted a series of tests to determine the degree of protection POCs provided during storage accident events. One of these tests exposed four of the POCs to a 30-minute engulfing pool fire. This test resulted in one of the POCs generating sufficient internal pressure to pop off its drum lid and expose the top of the pipe container (PC) to the fire environment. The initial contents of the POCs were inert materials that would not generate large internal pressure within the PC if heated. However, POCs are now being used to store combustible Transuranic (TRU) waste at Department of Energy (DOE) sites. At the request of DOE's Office of Environmental Management (EM) and National Nuclear Security Administration (NNSA), SNL started conducting a new series of fire tests in 2015 to examine whether PCs with combustibles would reach a temperature that could result in: (1) decomposition of inner contents and (2) subsequent generation of sufficient gas to cause the PC to over-pressurize and release its inner contents. In 2016, Phase II of the tests showed that POCs tested in a pool fire failed within 3 minutes of ignition with the POC lid ejecting. These POC lids were fitted with a NUCFIL-019DS filter and revealed that this specific filter did not relieve sufficient pressure to prevent lid ejection. In the Fall of 2017, Phase II-A was conducted to expose POCs to a 30-minute pool fire with similar configurations to those tested in Phase II, except that the POC lids were fitted with an UltraTech (UT) 9424S filter instead. That specific filter was chosen because of its design to help relieve internal pressure during the fire and thus prevent lid ejection. In Phase II-A, however, setups of two POCs stacked upon one another were never tested, which led to this phase of tests, Phase II-B. This report will describe the various tests conducted in Phase II-B, present results from these tests, and implications for the POCs based on the test results will be discussed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Sulfide glass solid-state electrolyte separators for Li metal batteries: using an interlayer to increase rate performance and reduce stack pressure

We report on the solubility of (Li 2 S) 60 (SiS 2 ) x (P 2 S 5 ) 40–x , (0 ≤ x ≤ 40) sulfide glass solid-state electrolytes in the 1:1 (v/v) DME:DOL solvent mixture, a popular choice for lithium metal battery liquid electrolytes. SiS 2 -rich glasses within the compositional range of (Li 2 S) 60 (SiS 2 ) x (P 2 S 5 ) 40–x (28 ≤ x ≤ 40) were found to be functionally insoluble in DME:DOL. Hybrid symmetric test cells with a thin liquid electrolyte layer (0.6 M LiTFSI + 0.4 M LiNO 3 in 1:1 (v/v) DME:DOL) at the interface between lithium metal electrodes and an insoluble (Li 2 S) 60 (SiS 2 ) 28 (P 2 S 5 ) 12 glass wafer were tested. Hybrid test cells delivered a critical current density of 3.0 mA cm –2 at 25 °C and 0.1 MPa, which is nearly double the CCD of comparable dry symmetric test cells cycled at 10× higher stack pressure.

25 ENERGY STORAGE↗

Upscaling of asymmetric hollow fiber‐supported thin film membranes for oxygen separation from air: Proof of concept

Abstract Hollow fiber membranes demonstrate various advantages for high performance oxygen separation. However, the small diameters of hollow fibers and the brittleness of ceramics limit their mechanical strength, imposing great difficulties on stack and module development. Gas‐tight sealing is another challenge for upscaling of hollow fiber membrane technology. Low temperature sealant materials of epoxy resin or silicon are typically used for hollow fiber stacks, requiring that the sealing portions be located out of hot zone. Consequently, only partial length of hollow fibers participates in oxygen permeation. In this study, upscaling of our recently developed asymmetric hollow fiber‐supported thin film membranes is conducted, where individual hollow fibers are assembled in parallel to form a stack. A reliable gas‐tight sealing is obtained by combining ceramic paste with conductive adhesive ink cohesively. Comprehensive oxygen permeation test is conducted with the sealing portions being in hot zone and compared with a single hollow fiber membrane. Fundamental mechanism is discussed to understand the performances and their differences. An accelerated long‐term test (∼320 h, 16 thermal cycles) demonstrates excellent stability and robustness of the stack and sealing. The characterization of post‐test samples further confirms excellent stability and robustness of the phases and microstructures of the stack.

36 MATERIALS SCIENCE↗

Development of a Thermal Spray, Redox Stable, Ceramic Anode for Metal Supported SOFC

In this program, GE global research and GE fuel cells in Malta conducted thermal spray optimization experiments, initially focusing on a well-established ceramic anode formulation, lanthanum strontium titanate combined with gadolinium doped ceria. Powder engineering work was conducted both internally and with vendors to develop repeatable, stable, and flowable thermal spray feedstocks. Agglomerate sintering was conducted in the last phase of the project, building on earlier program work, and was used to increase run stability during the longer scaled up runs for the 410 cm 2 cells. Further powder engineering would be needed to fully design a powder ready for full scale manufacturing. During preliminary work on the LST-GDC electrodes, GE demonstrated 100 cm 2 stacks enduring multiple redox cycles with limited impact. Another key finding on the project was the identification of process conditions for two component ceramic anode thermal spray without the formation of phase impurities which were present in all early work on the program. GE global research and West Virginia University screened a large number of ceramic anode formulations, focused on identifying materials with ideal materials properties for use in SOFC anodes. In addition, synthetic scaling research was conducted to increase powder synthesis batch size several orders of magnitude during the course of project work. West Virginia University was able to show button cells using two component ceramic anodes which produced > 890 mW/cm 2 and even a single component SOFC button demonstrating > 1 W/cm 2 performance. These button cell tests show the great potential of these redox stable materials. Down-selected ceramic anode formulations were combined with the optimized thermal spray process methods to first demonstrate multiple groups of 100 cm 2 SOFC stacks able to achieve the power density goals for the project. GE research also quickly investigated the performance of a subset of these formulations on long term degradation tests and assessed their performance on simulated natural gas reformate. In the final phase of the program, scaling activities were employed to translate from the 100cm2 process up to 410 cm 2 . Two large format 10-cell stack tests were completed, and one of these stacks produced 0.987 kW which is one of the highest power demonstrations of ceramic anode, metal support, SOFC technology known to GE. These ceramic anode stacks had been produced with all other materials in the stack held constant, demonstrating the flexibility of the thermal spray process in scaling to very large electrode size.

30 DIRECT ENERGY CONVERSION↗

Imaging and Modeling of Passive Water Management in a Miniature Fuel Cell

A small microwatt fuel cell stack with 8 cells was designed, fabricated, and tested for passive operation with pure H 2 and O 2 to provide continuous power for multiple decades with uncontrolled fluctuating ambient conditions. The stack was designed to operate with dead ended gas flows with water removal via passive membrane diffusion to notches in the bipolar plates. Two stacks with active areas of 0.2 cm 2 , one with 200 nm of membrane and the other with 400 urn, were assembled and tested at varying temperatures and current conditions. Temperatures ranged -55 °C to 70 °C, with focus on the lower temperatures. Factors affecting water production and removal included temperature, gas crossover, and membrane thickness. Currents were applied from 16 uA to 10 mA after the cells were stabilized at temperature, followed by a period of drying to observe water transport to the external peripheries of the cell. Finally, a two-dimensional multiphysics model was developed to further explore the water management system in varying conditions.

25 ENERGY STORAGE↗

Tomographic assessment of peening for metallurgical bonding in cold spray

It is widely asserted that peening densifies cold spray coatings and improves particle–particle and particle–substrate bonding, yet systematic studies analyzing the evolution of bonding due to peening particle strikes are scarce. We explore peening at the level of individual particle impacts, by creating two-particle Cu-on-Cu stacks using laser-induced particle impact testing. Exploring impact velocities that range from the onset of bonding at the “critical velocity”, V cr , to its peak near 1.4⋅V cr , we perform full 3D tomography of the particle stacks to characterize the bonding state at the particle-substrate interface. Direct labeling of non-bonded patches and the total particle-substrate interface permits quantification and comparison of bonding in single impacts with bonding after subsequent impacts to reveal the origins of the peening effect. The data reveal a surprising finding: although a second impact directly atop the first particle increases the area of the particle-substrate interface (~40% area increase), there is no improvement in metallurgical bonding. Analysis of these data suggest that not only area expansion (and associated oxide rarefication), but also stress-induced extrusion of metal at that interface needs to occur to achieve metal-on-metal contact to see an enhancement in bonding. Furthermore, our analysis suggests that the subsequent impacting particle needs to have ~70% more kinetic energy to produce additional bonding; this implies that particle and velocity distributions within a spray may be helpful, and that peening may rely on unaligned impacts.

Bonding↗

Code Standard Evaluation for ASME AG-1-2019, Section FL

ASME AG-1 Section FL Deep Bed Sand Filters includes a requirement to use Special Test Sections to provide a representative assessment of the filter efficiency. The SRPPF project design basis is to test the entire filter bed (versus a representative sample) following the same basis methodology to test the existing filters at the Savannah River Site. Using a combination of: 1) the filter testing experience at SRS since the early 1970’s, 2) the methodology found in ASME AG-1 for testing high capacity HEPA filter housings and 3) requirements for stack or duct sampling systems published by the Environmental Protection Agency (EPA), the Special Test Sections methodology for Deep Bed Sand (DBS) filters in ASME AG-1 Section FL has been replaced with a methodology to test the entire DBS filter system.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Aluminum Oxide Passivating Tunneling Interlayers for Molybdenum Oxide Hole-Selective Contacts

Aluminum oxide thin films fabricated via atomic layer deposition are introduced as passivating tunneling interlayers between hole-selective molybdenum oxide contacts and silicon absorbers. Surface recombination velocity and specific contact resistivity are reported as a function of Al 2 O 3 thickness. The effects of substrate chemical pretreatment, the thermal history of the Al 2 O 3 layers prior to MoOx deposition, and the thermal history of the completed Al 2 O 3 /MoO x stacks were also investigated. When an SiO x /Al 2 O 3 passivating stack was incorporated and the completed test structure was annealed at 200 °C, the observed recombination velocities were reduced from ~10 000 cm/s for an unpassivated (initially hydrogen-terminated) Si/MoO x direct contact to ~500 cm/s, while maintaining a contact resistivity at or below 0.1 Ω·cm 2 . Finally, the data demonstrate the capability of ultrathin Al 2 O 3 to improve Si/MoO x contact properties and may be of interest in the design of future Si heterojunctions.

14 SOLAR ENERGY↗

Differential Power Processing for Ultra-Efficient Data Storage

Here this paper presents the hardware, software, and power codesign of an ultra-efficient data storage server with differential power processing (DPP). DPP can reduce the power conversion stress, improve the efficiency, and enhance the functionality of modular power electronics systems. The power inputs of a large number of hard disk drives (HDDs) were connected in series and supported by a multiport ac-coupled differential power processing (MAC-DPP) converter through a multiwinding transformer. Methods for controlling the multi-input multi-output power flow in the multiwinding transformer while avoiding core saturation were investigated. A ten-port MAC-DPP prototype with 700-W/in 3 power density was built to support a 450-W HDD storage system with ten series-stacked voltage domains. The prototype was tested on a 50-HDD server testbench, and the overall system loss is below 1 W (99.77% system efficiency). The server was able to maintain high-speed reading and writing operation of all 50 HDDs against the worst hot-swapping scenarios. A variety of hardware/software configurations and many cloud storage techniques were tested on the fully functioning server. Experimental results show that the energy efficiency of large-scale information systems (CPU/GPU clusters, memory banks, HDD arrays, etc.) can be greatly improved by software, hardware, and power codesign.

42 ENGINEERING↗

A Novel Hybrid Reformer-Electrolyzer-Purifier (REP) for Distributed Production of Low-Cost, Low Greenhouse Gas Hydrogen

FuelCell Energy with support from the Department of Energy’s Office of Energy Efficiency and Renewable Energy (EERE) has investigated the production of low-cost, low CO2 hydrogen using a molten carbonate fuel cell operating as an electrolyzer. We confirmed the feasibility of the technology by testing a large-scale short stack. Economic analysis was done with the assistance of the National Fuel Cell Center at the University of California, Irvine and we found the technology to be attractive, especially for distributed hydrogen. We explored the performance under various operating parameters and developed an accurate model for further analysis and development calculations. We achieved the expected results, meeting all program goals. We identified additional uses of the technology such as for CO2 capture, power storage, and power load leveling.

08 HYDROGEN↗

The Intrinsic Scatter of the Broad Lines–Narrow Line Correlation in Type I AGN

A correlation between the FWHM of the broad Balmer lines and the narrow [O iii]/H{sub β} line ratio was recently applied to the black hole (BH) mass estimation in type II active galactic nuclei (AGN), where only the narrow lines are visible to the observer. The correlation was initially quantified with type I AGN using stacked spectra, in groups automatically created using a machine-learning algorithm. Such an analysis does not provide information about the intrinsic scatter of the correlation. In addition, it does not necessarily reproduce the true underlying correlation, for example, due to the stacking of spectra with different properties. Testing these two issues requires measurements of individual objects. In this work, we perform such a test by fitting the broad and narrow lines for 8302 type I AGN from the Sloan Digital Sky Survey. Due to the difficulty in reliably measuring the narrow Balmer lines in such objects, which are, in many cases, a small contribution on top of the broad lines, we visually inspect all of the fits and identify 1561 objects with robust measurements. Using these measurements, we find that while a correlation does exist, it shows a large scatter and is not well described by a linear relation. This should be taken into account when using the broad H{sub β} FWHM versus narrow [O iii]/H{sub β} correlation for type II AGN BH mass estimation.

79 ASTRONOMY AND ASTROPHYSICS↗