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NASA NTRS2020

Evidence for a Stratified Upper Mantle Preserved within the South Pole - Aitken Basin

The evolution and compositional structure of the lunar mantle has been extensively modeled but insufficiently constrained by observations. Here, we identify and characterize mantle materials exposed by the Moon's largest impact basin to better understand the composition, stratigraphy, and evolution of the upper mantle. The vast South Pole-Aitken Basin (SPA) exhibits a broad, crescent-shaped thorium and potassium distribution. These incompatible elements are predicted to be concentrated in the dregs of the lunar magma ocean during end-stage crystallization. Through consideration of basin formation models convolved with subsequent geologic evolution, we demonstrate that the distribution and implied stratigraphy of Th- and K-bearing materials across SPA are consistent with an upper mantle ejecta origin. The most pristine exposures of these materials are confined to northwest SPA and also exhibit elevated Ti and Fe (relative to the farside highlands) in association with a gabbronoritic mineralogy. This is consistent with latestage magma ocean assemblages predicted by petrologic models. In contrast, SPA impact melt derived from greater depths is associated with a low-Ca pyroxene-dominated assemblage. Together, these compositional patterns are evidence for a stratified ancient upper mantle. Importantly, the incompatible-element-enriched, ilmenite-bearing ferroan gabbronoritic cumulates evidently had not participated in gravitational overturn at the time of SPA formation. Contrary to recent hypotheses invoking nearside sequestration of incompatible elements to explain hemispherical differences in crustal building and volcanic resurfacing, it follows that incompatible elements were globally distributed in the magma ocean at the time of SPA formation.

Lunar dichotomy↗

DOE OSTI2023

Effects of small marine energy deployments on oceanographic systems

The placement and operation of marine energy deployments in the ocean have the potential to change flow patterns, decrease wave heights, and/or remove energy from the oceanographic system. Changes in oceanographic systems resulting from harvesting marine energy, particularly tidal and wave energy, may be of concern. These changes include alterations in nearfield and farfield physical processes, as well as potential secondary environmental effects such as changes in sediment transport patterns, biological processes, or coastal erosion. Knowledge of changes in oceanographic systems associated with marine energy is primarily available from numerical modeling studies, informed by some laboratory tests and very few field measurements. A literature review was conducted using the Tethys knowledge base and other online sources, building on conclusions from the Ocean Energy Systems-Environmental State of the Science report. Potential changes in oceanographic systems that may be caused by marine energy differ between tidal and wave devices because of different extraction mechanisms and siting locations. Numerical models show that tidal extraction on the order of hundreds of megawatts or with significant channel blockage is required to create changes in oceanographic processes that exceed natural variability. Effects from wave energy extraction in arrays are localized and dependent on array spacing and proximity to the shore. Here the available evidence supports the conclusion that the risk of significant environmental effects from such changes could be retired (i.e., less investigation required for every project) for small deployments—those representative of the state of the industry in 2021. Determining changes in oceanographic systems to be low risk for small deployments can thereby streamline environmental consenting by reducing monitoring needs at this early stage in the industry.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2004

A Revised Approach to the ULDB Design

The National Aeronautics and Space Administration Balloon Program has experienced problems in the scaling up of the proposed Ultra Long Duration Balloon. Full deployment of the balloon envelope has been the issue for the larger balloons. There are a number of factors that contribute to this phenomenon. Analytical treatments of the deployment issue are currently underway. It has also been acknowledged that the current fabrication approach using foreshortening is costly, labor intensive, and requires significant handling during production thereby increasing the chances of inducing damage to the envelope. Raven Industries has proposed a new design and fabrication approach that should increase the probability of balloon deployment, does not require foreshortening, will reduce the handling, production labor, and reduce the final balloon cost. This paper will present a description of the logic and approach used to develop this innovation. This development consists of a serial set of steps with decision points that build upon the results of the previous steps. The first steps include limited material development and testing. This will be followed by load testing of bi-axial reinforced cylinders to determine the effect of eliminating the foreshortening. This series of tests have the goal of measuring the strain in the material as it is bi-axially loaded in a condition that closely replicated the application in the full-scale balloon. Constant lobe radius pumpkin shaped test structures will be designed and analyzed. This matrix of model tests, in conjunction with the deployment analyses, will help develop a curve that should clearly present the deployment relationship for this kind of design. This will allow the "design space" for this type of balloon to be initially determined. The materials used, analyses, and ground testing results of both cylinders and small pumpkin structures will be presented. Following ground testing, a series of test flights, staged in increments of increasing suspended load and balloon volume, will be conducted. The first small scale test flight has been proposed for early Spring 2004. Results of this test flight of this new design and approach will presented. Two additional domestic test flights from Ft. Sumner, New Mexico, and Palestine, Texas, and one circumglobal test flight from Australia are planned as part of this development. Future plans for both ground testing and test flights will also be presented.

Smith, Michael↗

NASA NTRS2006

The Dos and Don'ts of how to Build a Planet, Using the Moon as an Example

The bulk chemical compositions of planets may yield important clues concerning planetary origins. Failing that, bulk compositions are still important, in that they constrain calculation of planetary mineralogies and also constrain the petrogenesis of basaltic magmas. In the case of the Earth, there is little or no debate about the composition of the Earth's upper mantle. This is because our sample collections contain peridotitic xenoliths of that mantle. The most fertile of these are believed to have been little modified from their primary compositions. Using these samples and chondritic meteorites as a starting point, small perturbations on the compositions of existing samples allow useful reconstruction of the bulk silicate Earth (BSE). Elsewhere, I have argued that the next simplest case is the Eucrite Parent Body (EPB). Reconstructions based on Sc partitioning indicate that the EPB can be well approximated by a mixture of 20% eucrite and 80% equilibrium olivine. This leads to a parent body that is similar to CO (or devolatilized CM) chondrites. Partial melting experiments on CM chondrites confirm this model, because the residual solids in these experiments are dominated by olivine with minor pigonite [3]. The most difficult bodies to reconstruct are those that have undergone the most differentiation. Both the Moon and Mars may have passed through a magma ocean stage. In any event, lunar and martian basalts, unlike eucrites, were not derived from undifferentiated source regions. Reconstructions are primarily based on compositional trends within the basalts themselves with some critical assumptions: (i) Refractory lithophile elements (Ca, Al, REE, actinides) are presumed to be in chondritic relative abundances; and (ii) some major element ratio is believed to exist in a chondritic ratio (e.g., Mg/Si, Mg/Al). The most commonly used parameter is Mg/Si.

Jones, J. H.↗

DOE OSTI2024

UNDERSTANDING THE SEMI-PROBABILISTIC APPROACHES IN STRUCTURAL RELIABILITY USED TO SET DESIGN RELIABILITY TARGETS FOR GRAPHITE COMPONENTS USING ASME BPVC METHODS

Graphite is a quasi-brittle material, resulting in random variability in tensile strength distributions. To account for the random variability in strength, HHA-3000 of the ASME BPVC provides two semi-probabilistic methods for qualifying nuclear graphite components in the design stage, the simplified and full assessments. The full and simplified assessments apply statistical methods to engineering-based design problems. This is often referred to as reliability-based design. Reliability-based design (RBD) is a method to develop reliable designs by accounting for uncertainties and result in small chances of failure when also considering safety factors. RBDs provide reliability targets using semi-probabilistic approaches. RBD is implemented in ASME BPVC HHA-3000 for nuclear graphite components, but is not specific to that application. There has been much confusion around the methods implemented in ASME BPVC HHA-3000 for qualifying nuclear graphite components. To address the confusion, this paper takes a hierarchical approach. First, the general RBD framework is presented. Then, the semi-probabilistic methods and the underlying assumptions implemented in the assessments are presented. The semi-probabilistic methods are separated from the engineering modifications that have been made to the assessments. After building the framework and underlying assumptions, the specific methods in the full and simplified assessments are explained in three steps: inputs, methods, outputs. The methods are applied to an H-451 reflector block. Tensile strength properties for other graphite grades are provided.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS2015

Printing Outside the Box: Additive Manufacturing Processes for Fabrication of Large Aerospace Structures

To achieve NASA's mission of space exploration, innovative manufacturing processes are being applied to the fabrication of propulsion elements. Liquid rocket engines (LREs) are comprised of a thrust chamber and nozzle extension as illustrated in figure 1 for the J2X upper stage engine. Development of the J2X engine, designed for the Ares I launch vehicle, is currently being incorporated on the Space Launch System. A nozzle extension is attached to the combustion chamber to obtain the expansion ratio needed to increase specific impulse. If the nozzle extension could be printed as one piece using free-form additive manufacturing (AM) processes, rather than the current method of forming welded parts, a considerable time savings could be realized. Not only would this provide a more homogenous microstructure than a welded structure, but could also greatly shorten the overall fabrication time. The main objective of this study is to fabricate test specimens using a pulsed arc source and solid wire as shown in figure 2. The mechanical properties of these specimens will be compared with those fabricated using the powder bed, selective laser melting technology at NASA Marshall Space Flight Center. As printed components become larger, maintaining a constant temperature during the build process becomes critical. This predictive capability will require modeling of the moving heat source as illustrated in figure 3. Predictive understanding of the heat profile will allow a constant temperature to be maintained as a function of height from substrate while printing complex shapes. In addition, to avoid slumping, this will also allow better control of the microstructural development and hence the properties. Figure 4 shows a preliminary comparison of the mechanical properties obtained.

Babai, Majid↗

NASA NTRSDate not supplied

A Technology Maturation Plan for the Development of Nuclear Electric Propulsion

Over the last two years NASA’s Space Nuclear Propulsion (SNP) Project formulated a Technology Maturation Plan (TMP) for development of the sub-systems needed for a MW-class Nuclear Electric Propulsion (NEP) system which, combined with a high thrust chemical propulsion stage, would be suitable for human missions to Mars. Two recent assessments, independently conducted by the National Academies for Science, Engineering, and Medicine and the NASA Engineering & Safety Center, concluded that the technologies required for a high-power NEP system are immature and the attendant risks insufficiently quantified to justify initiating a flight project. For NEP to be available as a viable option to meet flight opportunities in the late 2030s / 2040s time frame, development of the key sub-systems must begin now. SNP has subdivided the NEP system into five Critical Technology Elements (CTE): the nuclear reactor, power conversion, power management and distribution, electric propulsion sub-system, and the primary heat rejection system. Development plans for each of these CTEs have been drafted which will serve as the template for a focused milestone-driven research and development campaign intended to advance each CTE to Technology Readiness Level (TRL) 5. This will be accomplished by building and testing hardware at relevant power levels (~ 1 MW) and for relevant durations (2,500 hours, ~10% of the required operational lifetime) and conducting numerical modeling of the CTEs anchored by the accumulated test data to predict system performance and reliability. Concurrent with this work, high-level coupled system/mission modeling will be carried out to refine the key performance parameters that the various CTEs must achieve. Non-advocate reviews will be held at milestone points to assess progress and inform down-select decisions. The strategy for formulating the TMP was described previously; this paper describes ongoing progress on the drafting and baselining of the plan, including key specific details.

Space Nuclear Propulsion↗

NASA NTRSDate not supplied

A Technology Maturation Plan for the Development of Nuclear Electric Propulsion

Over the last two years NASA’s Space Nuclear Propulsion (SNP) Project formulated a Technology Maturation Plan (TMP) for development of the sub-systems needed for a MW-class Nuclear Electric Propulsion (NEP) system which, combined with a high thrust chemical propulsion stage, would be suitable for human missions to Mars. Two recent assessments, independently conducted by the National Academies for Science, Engineering, and Medicine and the NASA Engineering & Safety Center, concluded that the technologies required for a high-power NEP system are immature and the attendant risks insufficiently quantified to justify initiating a flight project. For NEP to be available as a viable option to meet flight opportunities in the late 2030s / 2040s time frame, development of the key sub-systems must begin now. SNP has subdivided the NEP system into five Critical Technology Elements (CTE): the nuclear reactor, power conversion, power management and distribution, electric propulsion sub-system, and the primary heat rejection system. Development plans for each of these CTEs have been drafted which will serve as the template for a focused milestone-driven research and development campaign intended to advance each CTE to Technology Readiness Level (TRL) 5. This will be accomplished by building and testing hardware at relevant power levels (~ 1 MW) and for relevant durations (2,500 hours, ~10% of the required operational lifetime) and conducting numerical modeling of the CTEs anchored by the accumulated test data to predict system performance and reliability. Concurrent with this work, high-level coupled system/mission modeling will be carried out to refine the key performance parameters that the various CTEs must achieve. Non-advocate reviews will be held at milestone points to assess progress and inform down-select decisions. The strategy for formulating the TMP was described previously*; this paper describes ongoing progress on the drafting and baselining of the plan, including key specific details. * “Strategy for Developing Technologies for Megawatt-class Nuclear Electric Propulsion Systems”, K.A. Polzin, et. al., International Electric Propulsion Conference IEPC 2022, IEPC-2022-155

Nuclear Electric Propulsion↗

NASA NTRS2005

Keeping the Air Clean and Safe: An Anthrax Smoke Detector

Scientists at work in the Planetary Protection division at NASA s Jet Propulsion Laboratory (JPL) sterilize everything before blasting it to the Red Planet. They take great pains to ensure that all spacecraft are void of bacterial life, especially the microscopic bacteria that can live hundreds of years in their spore states. No one is quite sure what Earthly germs would do on Mars, but scientists agree that it is safest to keep the Martian terrain as undisturbed as possible. Errant Earth germs would also render useless the instruments placed on exploration rovers to look for signs of life, as the life that they registered would be life that came with them from Earth. A team at JPL, headed by Dr. Adrian Ponce, developed a bacterial spore-detection system that uses a simple and robust chemical reaction that visually alerts Planetary Protection crews. It is a simple air filter that traps micron-sized bacterial spores and then submits them to the chemical reaction. When the solution is then viewed under an ultraviolet light, the mixture will glow green if it is contaminated by bacteria. Scientists can then return to the scrubbing and cleaning stages of the sterilization process to remove these harmful bacteria. The detection system is the space-bound equivalent of having your hands checked for cleanliness before being allowed to the table; and although intended to keep terrestrial germs from space, this technology has awesome applications here on Mother Earth. The bacterial spore-detection unit can recognize anthrax and other harmful, spore-forming bacteria and alert people of the impending danger. As evidenced in the anthrax mailings of fall 2001 in the United States, the first sign of anthrax exposure was when people experienced flu-like symptoms, which unfortunately, can take as much as a week to develop after contamination. Anthrax cost 5 people their lives and infected 19 others; and the threat of bioterrorism became a routine concern, with new threats popping up nearly everyday. The attacks threatened the safety that so many Americans took for granted, as the very air that people breathed became suspect. Any building with a circulation system, where large groups congregate, was now a potential target.

Source record↗

DOE OSTI2020

Interplay between Intrinsic Thermal Stability and Expansion Properties of Functionalized UiO-67 Metal–Organic Frameworks

The UiO family of metal-organic frameworks (MOFs) has been extensively studied for several applications owing to their high stability rendered by their robust secondary building units. The efficient design and use of these materials require a fundamental understanding of their thermal stability and its impact on chemical and structural functionality. In this work, we provide a detailed characterization of the intrinsic thermal behavior of the UiO-67 and functional analogues, UiO-67-NH 2 and UiO-67-CH 3 . Using in situ temperature-programmed X-ray diffraction, we find that distortion of the carboxylate group on the organic linker leads to negative thermal expansion (NTE) of the UiO-67 MOFs during heating. This NTE behavior is correlated with rich and reversible thermal changes observed in the MOF infrared spectral signature as samples are heated to the sample activation temperature (473 K). We find that in the absence of oxygen, activated UiO-67 samples show higher thermal stability compared to ambient or inert environments, with temperature-programmed desorption revealing an overall stability trend: UiO-67 > UiO-67- CH 3 > UiO-67-NH 2 . Two stages of change are observed during thermal treatment above 473 K, which are directly related to deformation of the inorganic node and the isotropic NTE behavior of these materials. Ultimately, these results provide a real-time interpretation of the fundamental thermoresponsive behavior of UiO-67 MOFs and offer a foundation for accurate interpretation of MOF interactions with guest molecules and their temperature dependence.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Building a Computational and Experimental Rapid Response Pipeline to Counter the Coronavirus Disease 2019 Outbreak and Emerging Biothreats

The COVID-19 pandemic underscored the promise of monoclonal antibody-based prophylactic and therapeutic drugs, especially where protective candidates can be rapidly identified or developed for emerging biothreats and escape variants. Current cutting-edge technologies for this purpose still rely on pathogen-exposed convalescent volunteers and a large screening effort to find a proverbial needle in a haystack. Computational design of protective antibodies based on pre-existing templates skips those requirements and allows for greater control over the breadth and target epitope, while also co-optimizing for potency and developability or other biophysical characteristics. We approached this problem by building and expanding an in vitro experimental rapid antibody production and characterization pipeline to support development of an autonomous, closed loop, active learning software system based on structural simulation and ground truth experimental data to design and evaluate antibody antigen interactions. Starting from early in the pandemic, we targeted SARS-CoV-2, the causative agent of COVID-19, by re-purposing neutralizing antibodies against SARS-CoV-1 that had been identified in the wake of that outbreak in the early 2000’s. We successfully re-targeted three different anti-SARS-CoV-1 antibodies to neutralize SARS-CoV-2 in vitro, where the antibodies were generated externally and tested through conventional binding and neutralization assays internally or with collaborators. As antibodies were identified from the blood of humans infected with SARS-CoV-2, we shifted to collaborate with academic partners to develop improved versions of their human-derived antibodies. This work reached its most important stage in rapid response to the emergence of the Omicron variant of concern (VOC) in late 2021. In a matter of weeks, enabled by on demand innovation to our screening pipeline, we computationally designed and experimentally characterized derivative antibodies of COV2-2130, one of two antibodies from Vanderbilt that form the basis of the AstraZeneca Evusheld prophylactic drug product. This drug product suffers a serious loss of efficacy against Omicron BA.1 and BA.1.1, the first Omicron strains. Due to tight integration of computational design and experimental evaluation, we were able to identify a pair of designs with potent neutralization of the main targets Omicron BA.1 and BA.1.1; but also the earlier Delta variant, and subsequent Omicron strains including BA.2, BA.4, BA.5, and BA.2.75, demonstrating that our multi-target design process can, by its nature, produce robust antibody designs that strictly improve over the parental antibody. These results, recognized by a 2022 Director’s Science and Technology award, have enabled the follow-on GUIDE program, to commence in FY23. While earlier design campaigns were substantially outsourced, we have engineered better and faster processes internally to better compliment, calibrate, and speed computational designs. As part of the follow-on GUIDE program, we will stand up a rapid and high-throughput antibody production and characterization facility staffed with the expertise and capabilities to foster our current collaboration across PLS and ENG as well as other partnerships toward computational design of biologics.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

PRISTINE: An Emulation Platform for PCB-Level Hardware Trojans

Printed circuit Boards (PCBs) are becoming increasingly vulnerable to malicious design alteration, also known as Trojan attacks, due to a distributed business model that often involves various untrusted parties. Such attacks can be mounted at various stages in the PCB life cycle. The relative ease of alteration of PCB hardware even after fabrication (due to physical access to surface-mounted critical components and traces) makes them attractive for an adversary to manipulate their functional/physical behavior for malicious intent. There is a growing need to explore viable Trojan attacks in a PCB, analyze their functional and physical characteristics (e.g., impact on power or delay), and study the effectiveness of countermeasures against these attacks. While simulation-based approaches for PCB Trojan insertion are effective at creating a large population of possible Trojans, they fail to provide functional feasibility analysis with a realistic workload for a trigger circuit. Also, they cannot estimate a Trojan’s side-channel footprint due to the unavailability of physical models of diverse PCB components. To address these deficiencies, in this paper, we present PRISTINE, a PCB-level emulation system for any integrity or physical tampering issues, specifically, hardware Trojan insertion. The need for building such an emulation platform to resolve PCB trust issues in the supply chain is also surveyed and discussed. Both custom Hardware Hacking (HaHa) boards and multiple commercial PCBs are then used to test the ability of the proposed system to emulate various hardware Trojans specially designed to exploit board-specific hardware characteristics. Experimental results on emulated board-level Trojans show that a wide range of Trojans can be successfully activated, thus enabling the expected payload effects on both types of boards to be studied and quantified. The resulting data are further analyzed to create PCB-level Trojan benchmarks. In particular, a comparative evaluation of the experimental results is used to propose a risk level metric that quantifies the probability of detection and degree of payload impact of each Trojan on a given commercial PCB.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

SCALE Analyses of Scenarios in the Molten Salt Reactor Fuel Cycle

In support of the US Nuclear Regulatory Commission non-light-water reactor fuel cycle demonstration project, the capabilities of SCALE 6.3.1 for radionuclide characterization, criticality, and shielding were demonstrated through several scenarios in a molten salt reactor (MSR) nuclear fuel cycle. Three scenarios were selected for this study, with the molten salt breeder reactor (MSBR) serving as the reference design. The original thorium-based fuel salt used in MSBR was replaced with a 235 U-enriched fuel salt to better reflect anticipated future MSR concepts. The first scenario focused on the fuel salt preparation stage. Criticality analyses, using SCALE/CSAS-Shift and SCALE/SAMPLER, examined potential critical configurations in the fresh fuel salt container based on variables such as 235 U enrichment, UF 4 molar fraction, temperature, and container geometry. The second scenario explored the release of fission products during reactor operation in which the tritium buildup in the primary fuel salt was quantified through depletion calculations using SCALE/TRITON with continuous fuel makeup and fractional fission product removal. This scenario also assessed radioactivity levels in the off-gas system (OGS), quantifying radiotoxic nuclides that could be released into the environment. SCALE/SAMPLER was employed to perform uncertainty quantification to identify key operating parameters influencing the buildup of radiotoxic nuclides in the OGS. Additionally, radiation dose rates were calculated using SCALE/MAVRIC to estimate the maximum exposure levels within the reactor cell complex during operation. The final scenario evaluated the decay heat and radioactivity of the primary fuel salt collected in the drain tank, as well as the radiation dose rate outside the building from the presence of the drain tank. Overall, the application of SCALE’s various capabilities for radionuclide inventory generation, criticality analysis, and shielding in MSR fuel cycles was successfully demonstrated across these scenarios.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

Roll-to-Roll Advanced Materials Manufacturing DOE Laboratory Collaboration (FY2019 Final Report)

42 ENGINEERING↗

DOE OSTI2024

Unified understanding of the impact of semiflexibility, concentration, and molecular weight on macromolecular-scale ring diffusion

Conformationally fluctuating, globally compact macromolecules such as polymeric rings, single-chain nanoparticles, microgels, and many-arm stars display complex dynamic behaviors due to their rich topological structure and intermolecular organization. Synthetic rings are hybrid objects with conformations that display both ideal random walk and compact globular features, which can serve as models of genomic DNA. To date, emphasis has been placed on the effect of ring molecular weight on their unusual behaviors. Here, we combine simulations and a microscopic force-level theory to build a unified understanding for how key aspects of ring dynamics depend on different tunable molecular properties including backbone rigidity, monomer concentration, degree of traditional entanglement, and molecular weight. Our large-scale molecular dynamics simulations of ring melts with very different backbone stiffnesses reveal unanticipated behaviors which agree well with our generalized theory. This includes a universal master curve for center-of-mass diffusion constants as a function of molecular weight scaled by a chemistry and thermodynamic state-dependent critical molecular weight that generalizes the concept of an entanglement cross-over for linear chains. The key physics is how backbone rigidity and monomer concentration induced changes of the entanglement length, interring packing, degree of interpenetration, and liquid compressibility slow down space-time dynamic-force correlations on macromolecular scales. A power law decay of the center-of-mass diffusion constant with inverse molecular weight squared is the first consequence, followed by an ultraslow activated hopping transport regime. Our results set the stage to address slow dynamics and kinetic arrest in different families of compact synthetic and biological polymeric systems.

Science & Technology - Other Topics↗

DOE OSTI2021

Roll-to-Roll Advanced Materials Manufacturing DOE Laboratory Collaboration (FY2020 Final Report)

R2R processing is used to manufacture a wide range of products for various applications which span many industrial business sectors. The overall R2R methodology has been in use for decades and this continuous technique traditionally involves deposition of material(s) onto moving webs, carriers or other continuous belt-fed or conveyor-based processes that enable successive steps to build a final version which serves to support the deposited materials. Established methods that typify R2R processing include tape casting, silk-screen printing, reel-to-reel vacuum deposition/coating, and R2R lithography. Products supported by R2R manufacturing include micro-electronics, electro-chromic window films, PVs, fuel cells for energy conversion, battery electrodes for energy storage, and barrier and membrane materials. Due to innovation in materials and process equipment, high-quality yet very low-cost multilayer technologies have the potential to be manufactured on a very cost-competitive basis. To move energy-related products from high-cost niche applications to the commercial sector, the means must be available to enable manufacture of these products in a cost-competitive manner that is affordable. Fortunately, products such as fuel cells, thin- and mid-film PVs, batteries, electrochromic and piezoelectric films, water separation membranes, and other energy saving technologies readily lend themselves to manufacture using R2R approaches. However, more early-stage research is needed to solve the challenge of linking the materials (particles, polymers, solvents, additives) used in ink and slurry formulations and the coating and drying processes to the ultimate performance of the final R2R product, especially for a process that uses multiple layers of deposition to achieve the end product. To solve the problems associated with these challenges, the R2R Collaboration is executing a research program with outcomes that will ultimately link modeling, processing, metrology and defect detection tools, thereby directly relating the properties of constituent particles and processing conditions to the performance of final devices. This collaborative approach was designed to foster identification and development of materials and processes related to R2R for clean-energy materials development. Using computational and experimental capabilities by acknowledged subject matter experts within the supported National Laboratory system, this project leverages the capabilities and expertise at each of five National Laboratories to further the development of multilayer technologies that will enable high-volume, cost-competitive platforms. A typical R2R process has three steps: (1) mixing of particles and various constituents in a slurry, (2) coating of the ink/slurry mixture on a substrate, and (3) drying/curing and processing of the coating. Final performance of devices made via R2R processes is dependent on the active materials (e.g., electrochemical particles in battery or fuel cell electrodes) and the device structure that stems from the governing component interactions within the various steps. However, a fundamental understanding of the underlying mechanisms and phenomena is still lacking, which is why industrial-scale R2R process development and manufacturing is still largely empirical in nature. The FY 2019 through FY 2021 program addresses aspects of the following two targets from the AMO Multi-Year Program Plan: (1) Target 8.1 Develop technologies to reduce the cost per manufactured throughput of continuous R2R manufacturing processes. (A) Increasing throughput of R2R processes by 5 times for batteries (to 50 square feet per minute (50 ft 2 /min)) and capacitors and 10 times for printed electronics and the manufacture of other substrates and MEs used in support of these products. (B) Developing resolution capabilities to enable registration and alignment that will detect, align, and co-deposit multiple layers of coatings and print < 1-micron (1 µm) features using continuous process scalable for commercial production. (C) Developing scalable and reliable R2R processes for solution deposition of ultra-thin (<10 nm) films for active and passive materials. (D) Develop in-line multilayer coating technology on thin films with yields greater than 95%. (2) Target 8.2 Develop in-line instrumentation tools that will evaluate the quality of single and multilayer materials in-process. (A) Developing in-line QC technologies and methodologies for real-time identification of defects and expected product properties “in-use/application” during continuous processing at all size-scales with a focus on the “micro” and “nano” scale traces, lines, and devices, i.e., <1 μm at 300 ft./min for R2R processing in air and <10 nm at 20 ft./min for vacuum (B) Developing technologies to increase the measurement frequency of surface rheology without significant cost increases with a goal of a 10-nanometer in-line profilometry at a production rate of 100,000 square millimeters per minute (100,000 mm 2 /min).

42 ENGINEERING↗

NASA NTRS1997

An Approach to Building a Traceability Tool for Software Development

It is difficult in a large, complex computer program to ensure that it meets the specified requirements. As the program evolves over time, a11 program constraints originally elicited during the requirements phase must be maintained. In addition, during the life cycle of the program, requirements typically change and the program must consistently reflect those changes. Imagine the following scenario. Company X wants to develop a system to automate its assembly line. With such a large system, there are many different stakeholders, e.g., managers, experts such as industrial and mechanical engineers, and end-users. Requirements would be elicited from all of the stake holders involved in the system with each stakeholder contributing their point of view to the requirements. For example, some of the requirements provided by an industrial engineer may concern the movement of parts through the assembly line. A point of view provided by the electrical engineer may be reflected in constraints concerning maximum power usage. End-users may be concerned with comfort and safety issues, whereas managers are concerned with the efficiency of the operation. With so many points of view affecting the requirements, it is difficult to manage them, communicate information to relevant stakeholders. and it is likely that conflicts in the requirements will arise. In the coding process, the implementors will make additional assumptions and interpretations on the design and the requirements of the system. During any stage of development, stakeholders may request that a requirement be added or changed. In such a dynamic environment, it is difficult to guarantee that the system will preserve the current set of requirements. Tracing, the mapping between objects in the artifacts of the system being developed, addresses this issue. Artifacts encompass documents such as the system definition, interview transcripts, memoranda, the software requirements specification, user's manuals, the functional specifications, design reports, and system code. Tracing helps 1) validate system features against, the requirement specification, 2) identify error sources and, most importantly, 3) manage change. With so many people involved in the development of the system, it becomes necessary to identify the reasons behind the design requirements or the implementation decisions. This paper is concerned with an approach that maps documents to constraints that capture properties of and relationships between the objects being modeled by the program. Section 2 provides the reader with a background on traceability tools. Section 3 gives a brief description of the context monitoring system on which the approach suggested in this paper is based. Section 4 presents an overview of our approach to providing traceability. The last section presents our future direction of research.

Delgado, Nelly↗

NASA NTRS2024

Inverse Modeling of the Initial Stage of the 1991 Pinatubo Volcanic Cloud Accounting for Radiative Feedback of Volcanic Ash

The way volcanic clouds evolve is very sensitive to the initial spatial 3D distributions of volcanic materials, which are often unknown. In this study, we conducted inverse modeling of the Mt. Pinatubo cloud using TOMS 2D mapping of Aerosol Index and SO 2 loading during the first three post-eruption days to estimate the time-dependent emissions profiles and initial 3D spatial distributions of volcanic ash and SO 2 . We account for aerosol radiative feedback and dynamic lofting of volcanic ash in the inversion calculations for the first time. This resulted in a lower ash injection height (by 1.5 km for ash) than without ash radiative feedback. The Pinatubo eruption ejected ≈77% of fine ash at 12 to 23 km, ≈65% of SO 2 at 18–25 km. In contrast with previous studies, which suggested that all volcanic materials were emitted above the tropopause, a significant fraction of SO 2 (5.1 of 15.5 Mt) and fine ash (37.2 of 66.5 Mt) were ejected in the troposphere, where SO 2 quickly oxidized into sulfate aerosol that is short-lived in the troposphere. This explains the early presence of sulfate aerosols in the plume and why the models can reproduce the observed volcanic aerosols' optical depth (AOD), assuming lower-than-observed SO 2 emission in the stratosphere. Despite the quicker than in observations build-up of sulfate AOD, in a month after the eruption, the evolution of the Pinatubo AOD simulated using the obtained ash and SO 2 initial distributions converges with the available stratospheric aerosol and gas experiment (SAGE) observations.

Pinatubo volcanic ash and SO2 emissions↗