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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Optimization of WAAM Process to Produce AUSC Components with Increased Service Life

Additive manufacturing has the potential to revolutionize industrial hardware and unlock efficiency gains through the fabrication of geometries and architectures not possible by conventional processing. Wire Arc Additive manufacturing (WAAM) process is a class of directed energy deposition process enabling higher build rate and allowing custom wire feedstock allowing spatial variation of microstructure. The larger spot size and lower speed creates a larger melt pool, reducing residual stress and often time creating directional/columnar microstructure for Ni-superalloy. The use of flexible platform provides freedom in deposition strategy, which can accommodate complex substrates, including feature addition onto existing structures, non-flat layers, and repair methods. However, the certification of the final component needs to match the strength requirement. Hence, the quality of the component produced is stringently monitored to avoid buildup of residual stress, cracks, porosity and to reduce detrimental segregated phases commonly observed during alloy solidification. Simulation plays a huge role in predicting the melt pool dimension and can be used to optimize the process parameter. Similar development is also required to perform physics-based modeling of microstructural development in WAAM that can predict the microstructural features during solidification and can be used to optimize the process more effectively. To move toward this goal, Raytheon Technologies Research Center together with Siemens worked to create a set of computational tools to control the process parameters, enable on-line measurements and acquisition with feedback to the optimized process parameters, and eventually track material evolution through each step of the additive process. Computational fluid dynamics is used for accurate prediction and calibration of the thermal field during WAAM process. and phase field models for microstructure evolution as a function of processing parameters to establish a connection between additive parameters and the final microstructure. Here we report cellular automata (CA) model development to predict the dendritic microstructure evolution with surface and bulk nuclei for single track and multiple layers. The CA model was developed to account for secondary element addition and predict segregation, local melting, and latent heat release as well as prediction of Euler angles from orientation information and validated against experiments. This framework was utilized to tailor spatially-varying composition in a part by appropriately controlling the microstructure evolution during the additive process. Functionally graded Haynes 282 alloy with high Cr content at the surface was tested for oxidation and mechanical properties. An advanced physics-based reaction-diffusion model predicting the simultaneous creation of chromium oxide and alumina is developed and validated to extend life expectancy of the WAAM manufactured high temperature part. A machine-learning data-driven framework establishing the process-structure relationship from a dataset of real microstructure images and corresponding process history data has been developed and implemented in the NX Siemens design system. The digital twin configuration along with the tool path generation enabled prediction of WAAM component buildup time and the techno-economic analysis provided a favorable option for all 4 cases with 15-40% cost reduction.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Architectures and random properties of symplectic quantum circuits

Parametrized and random unitary (or orthogonal) n-qubit circuits play a central role in quantum information. As such, one could naturally assume that circuits implementing symplectic transformations would attract similar attention. However, this is not the case, as $\mathbb{SP}(d/2)$—the group of d × d unitary symplectic matrices—has thus far been overlooked. In this work, we aim at starting to fill this gap. We begin by presenting a universal set of generators $\mathcal{G}$ for the symplectic algebra $\mathfrak{sp}(d/2)$, consisting of one- and two-qubit Pauli operators acting on neighboring sites in a one-dimensional lattice. Here, we uncover two critical differences between such set, and equivalent ones for unitary and orthogonal circuits. Namely, we find that the operators in $\mathcal{G}$ cannot generate arbitrary local symplectic unitaries and that they are not translationally invariant. We then review the Schur–Weyl duality between the symplectic group and the Brauer algebra, and use tools from Weingarten calculus to prove that Pauli measurements at the output of Haar random symplectic circuits can converge to Gaussian processes. As a by-product, such analysis provides us with concentration bounds for Pauli measurements in circuits that form t-designs over $\mathbb{SP}(d/2)$. To finish, we present tensor-network tools to analyze shallow random symplectic circuits, and we use these to numerically show that computational-basis measurements anti-concentrate at logarithmic depth.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Bridging Multiscale Processes in Earth System Models with Physics-Guided Hierarchical Machine Learning

Focal Area(s): The focal area of this whitepaper is, “Predictive modeling through the use of AI techniques and AI-derived model components; the use of AI and other tools to design a prediction system comprising of a hierarchy of models (e.g., AI driven model/component/parameterization selection).” The ideas and frameworks described herein are deemed site agnostic. As a use case, this group will initially focus on the coupling between land processes, surface/subsurface hydrological processes, coastal processes, and human activities in the U.S. Gulf states.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1981

Design, evaluation, and fabrication of low-cost composite blades for intermediate-size wind turbines

Low cost approaches for production of 60 ft long glass fiber/resin composite rotor blades for the MOD-OA wind turbine were identified and evaluated. The most cost-effective configuration was selected for detailed design. Subelement and subscale specimens were fabricated for testing to confirm physical and mechanical properties of the composite blade materials, to develop and evaluate blade fabrication techniques and processes, and to confirm the structural adequacy of the root end joint. Full-scale blade tooling was constructed and a partial blade for tool and process tryout was built. Then two full scale blades were fabricated and delivered to NASA-LeRC for installation on a MOD-OA wind turbine at Clayton, New Mexico for operational testing. Each blade was 60 ft. long with 4.5 ft. chord at root end and 2575 lbs weight including metal hub adapter. The selected blade configuration was a three cell design constructed using a resin impregnated glass fiber tape winding process that allows rapid wrapping of primarily axially oriented fibers onto a tapered mandrel, with tapered wall thickness. The ring winder/transverse filament tape process combination was used for the first time on this program to produce entire rotor blade structures. This approach permitted the complete blade to be wound on stationary mandrels, an improvement which alleviated some of the tooling and process problems encountered on previous composite blade programs.

Weingart, O.↗
NASA NTRSDate not supplied

Flight Software for the LOFTID Re-Entry Vehicle

NASA’s Low-Earth Orbit Flight Test of an Inflatable Decelerator, or LOFTID, demonstrated re-entry from low-Earth orbit of a 6-meter aeroshell designed to be used as a heat shield that is larger than the rocket shroud, enabling the return of much greater mass. The LOFTID Flight Software was developed in-house and consists of three components: the Power Distribution software, the Data Recorder software, and the Camera Controller software, along with the Ground Software used for testing, operations, data integrity, and data processing. This presentation will discuss issues found in developing the Power Distribution software in cFS on a non-Linux POSIX platform, designing an efficient architecture for recording of high bandwidth data, controlling over a dozen cameras in-flight, and creating the ground support tools to verify data integrity and support the post-processing of flight data.

Paul Brewster↗
NASA NTRS2000

Developing Conceptual Hypersonic Airbreathing Engines Using Design of Experiments Methods

Designing a hypersonic vehicle is a complicated process due to the multi-disciplinary synergy that is required. The greatest challenge involves propulsion-airframe integration. In the past, a two-dimensional flowpath was generated based on the engine performance required for a proposed mission. A three-dimensional CAD geometry was produced from the two-dimensional flowpath for aerodynamic analysis, structural design, and packaging. The aerodynamics, engine performance, and mass properties arc inputs to the vehicle performance tool to determine if the mission goals were met. If the mission goals were not met, then a flowpath and vehicle redesign would begin. This design process might have to be performed several times to produce a "closed" vehicle. This paper will describe an attempt to design a hypersonic cruise vehicle propulsion flowpath using a Design of' Experiments method to reduce the resources necessary to produce a conceptual design with fewer iterations of the design cycle. These methods also allow for more flexible mission analysis and incorporation of additional design constraints at any point. A design system was developed using an object-based software package that would quickly generate each flowpath in the study given the values of the geometric independent variables. These flowpath geometries were put into a hypersonic propulsion code and the engine performance was generated. The propulsion results were loaded into statistical software to produce regression equations that were combined with an aerodynamic database to optimize the flowpath at the vehicle performance level. For this example, the design process was executed twice. The first pass was a cursory look at the independent variables selected to determine which variables are the most important and to test all of the inputs to the optimization process. The second cycle is a more in-depth study with more cases and higher order equations representing the design space.

Ferlemann, Shelly M.↗
NASA NTRS1990

The aerospace plane design challenge: Credible computational fluid dynamics results

Computational fluid dynamics (CFD) is necessary in the design processes of all current aerospace plane programs. Single-stage-to-orbit (STTO) aerospace planes with air-breathing supersonic combustion are going to be largely designed by means of CFD. The challenge of the aerospace plane design is to provide credible CFD results to work from, to assess the risk associated with the use of those results, and to certify CFD codes that produce credible results. To establish the credibility of CFD results used in design, the following topics are discussed: CFD validation vis-a-vis measurable fluid dynamics (MFD) validation; responsibility for credibility; credibility requirement; and a guide for establishing credibility. Quantification of CFD uncertainties helps to assess success risk and safety risks, and the development of CFD as a design tool requires code certification. This challenge is managed by designing the designers to use CFD effectively, by ensuring quality control, and by balancing the design process. For designing the designers, the following topics are discussed: how CFD design technology is developed; the reasons Japanese companies, by and large, produce goods of higher quality than the U.S. counterparts; teamwork as a new way of doing business; and how ideas, quality, and teaming can be brought together. Quality control for reducing the loss imparted to the society begins with the quality of the CFD results used in the design process, and balancing the design process means using a judicious balance of CFD and MFD.

Mehta, Unmeel B.↗
NASA NTRS1998

Aerospace Power Systems Design and Analysis (APSDA) Tool

The conceptual design of space and/or planetary electrical power systems has required considerable effort. Traditionally, in the early stages of the design cycle (conceptual design), the researchers have had to thoroughly study and analyze tradeoffs between system components, hardware architectures, and operating parameters (such as frequencies) to optimize system mass, efficiency, reliability, and cost. This process could take anywhere from several months to several years (as for the former Space Station Freedom), depending on the scale of the system. Although there are many sophisticated commercial software design tools for personal computers (PC's), none of them can support or provide total system design. To meet this need, researchers at the NASA Lewis Research Center cooperated with Professor George Kusic from the University of Pittsburgh to develop a new tool to help project managers and design engineers choose the best system parameters as quickly as possible in the early design stages (in days instead of months). It is called the Aerospace Power Systems Design and Analysis (APSDA) Tool. By using this tool, users can obtain desirable system design and operating parameters such as system weight, electrical distribution efficiency, bus power, and electrical load schedule. With APSDA, a large-scale specific power system was designed in a matter of days. It is an excellent tool to help designers make tradeoffs between system components, hardware architectures, and operation parameters in the early stages of the design cycle. user interface. It operates on any PC running the MS-DOS (Microsoft Corp.) operating system, version 5.0 or later. A color monitor (EGA or VGA) and two-button mouse are required. The APSDA tool was presented at the 30th Intersociety Energy Conversion Engineering Conference (IECEC) and is being beta tested at several NASA centers. Beta test packages are available for evaluation by contacting the author.

Truong, Long V.↗
NASA NTRS2014

Designing Liquid Rocket Engine Injectors for Performance, Stability, and Cost

NASA is developing the Space Launch System (SLS) for crewed exploration missions beyond low Earth orbit. Marshall Space Flight Center (MSFC) is designing rocket engines for the SLS Advanced Booster (AB) concepts being developed to replace the Shuttle-derived solid rocket boosters. One AB concept uses large, Rocket-Propellant (RP)-fueled engines that pose significant design challenges. The injectors for these engines require high performance and stable operation while still meeting aggressive cost reduction goals for access to space. Historically, combustion stability problems have been a critical issue for such injector designs. Traditional, empirical injector design tools and methodologies, however, lack the ability to reliably predict complex injector dynamics that often lead to combustion stability. Reliance on these tools alone would likely result in an unaffordable test-fail-fix cycle for injector development. Recently at MSFC, a massively parallel computational fluid dynamics (CFD) program was successfully applied in the SLS AB injector design process. High-fidelity reacting flow simulations were conducted for both single-element and seven-element representations of the full-scale injector. Data from the CFD simulations was then used to significantly augment and improve the empirical design tools, resulting in a high-performance, stable injector design.

Westra, Douglas G.↗
NASA NTRSDate not supplied

EVA Swab Kit: Tools and Techniques for Collecting Aseptic Samples from Crewed Space Missions

Introduction: When we send humans to search for life on other planets, we'll need to know what we brought with us versus what may already be there. To ensure our crewed spacecraft meet planetary protection requirements—and to protect our science from human contamination—we'll need to assess and verify whether micro-organisms may be leaking/venting from our spacesuits. This requires collecting samples under Extravehicular Activity (EVA) conditions. Detailed, systematic research on forward contamination from robotic spacecraft has been steadily progressing since the Viking missions, but systematic studies of contamination from space suits has not been conducted in many years. The modern EMU (Extravehicular Mobility Unit) suit used by NASA is designed to leak at rates as high as 100 cc/min. Before humans land on Mars there is a critical need to understand the types and quantities of microbes that could be introduced via space suits. The Human Forward Contamination Assessment team at NASA’s Johnson Space Center (JSC) has developed a prototype EVA swab tool [1,2,3,4] designed for use in space to sample cleaned and uncleaned space suits to determine the present day microbial load and eventually the rate of leakage. The ability to assess microbial leakage early in advanced space suit and life support system design cycles will help avoid costly hardware redesign later. Test Objectives: The primary objective of EMU testing was to characterize the type of micro-organisms typically found on or near selected suit pressure joints under suit differential pressure conditions. Most human-borne microbes can fit through a 0.5 to 1.0 µm gap. Knowing which joints are more likely to leak will inform hardware design decisions. Knowing which types of micro-organisms may leak from EVA suits provides a basis for subsequent studies to characterize the viability of those organisms under destination conditions, as well as how far they might spread through natural or human-influenced processes. That data, in turn, will inform exploration mission operations and hardware design. The secondary objective of testing was to evaluate the interface between a fully suited test subject and the EVA swab tool at vacuum. Bulky EVA suits can restrict movement and limit visibility through the helmet visor. Fully suited testing is important for identifying tool design issues prior to flight. At exploration destinations, such as Mars, suited crew may be required to periodically sample their suits as part of an environmental monitoring protocol. Suit Microbial Sampling Results: This report details results of microbial swabs collected from current flight suit configurations worn by crew members assigned to upcoming ISS expedition missions as well as swabs collected from prototype suits intended for use on the Orion spacecraft. These tests were intended to characterize the types of contaminants found on flight suits under current, typical handling conditions. No attempt was made to change suit handling procedures, provide additional sterilization, or to limit typical potential contaminant sources. Using culture based techniques, we cultivated 235 CFU (colony forming units) comprised of 26 bacterial species and one fungal species on the outside of the suits. The fungal species and 14 of the bacterial species were unique to the suit surfaces and were not detected in any of the background samples collected within the chambers. We sequenced 755,434 ribosomal fragments on all of the suit surfaces from swab samples. 557,016 of these sequences represent DNA that survived at least 4 hours at vacuum. These sequences formed 2,464 OTU's (Operational Taxonomic Units, 97% similarity) showing low diversity in the samples. The most abundant sequences that survived vacuum belong to the genera Staphyloccocus, Ralstona, Bacillus and Rhodobacter all of which are common to the human microbiome. [5] See Danko et al., (2021) for more complete details of these first analyses. Further analysis of EVA suit materials with respect to the efficacy of various cleaning protocols and engineered containment solutions is planned to inform suit design for NASA’s Artemis Moon to Mars program crew testing. Swab Tool Function Results: The kit was demonstrated for fit and function in suited subject vacuum tests to determine how well the tool worked as an aseptic microbial sampling device as well as to identify any design elements that could be upgraded for EVA task specific improvement. It was found that sample acquisition efficacy could be enhanced by redesign of the sample canister to end-effector interface. Several modifications of the sample caddy assemblies to optimize EVA safety and functionality were also identified. Consequently, fabrication of the redesigned sample canister to end-effector assembly interfaces and and the sample caddy assemblies are required. Fabrication of sixteen flight sample canister assemblies (8 per each of two EVA Swab Kits) and two sample caddy assemblies are in process to be followed by hardware testing and certification to produce two flight-certified EVA Swab Kits for transport to ISS no earlier than summer of 2022. Sampling Strategy: The International Space Station is an ideal testbed for systematic studies of contamination from crewed vehicles since it has been continuously occupied for 20 years and exposed to non-terrestrial conditions. We will sample the exterior of the ISS during EVA using a purpose-built swab tool capable of maintaining sterility while undergoing temperature changes from -151 to +121°C under hard vacuum. Prior to each EVA, the project team will work with ISS mission managers to identify precise sampling locations, which will vary by EVA based on the translation paths and worksites scheduled for that particular EVA. Ideally, translation path handrails and areas near ECLSS (Environmental Control and Life Support System) external vent openings on a spacecraft would be assessed. There are currently more than a dozen ECLSS external vents on the ISS. Some are connected to systems that vent waste products, while others are intended to equalize cabin pressure. As EVA opportunity allows, microbial samples from any of these external vents would provide a valuable data point, though some will be more useful than others. Four criteria have been identified to help prioritize sampling sites near vents: • EVA Accessibility: To minimize cost, it is desired to piggy-back onto a planned EVA. Therefore, the sampling location must be readily accessible by an EVA crew • Type of Vented Products: Vent products that have been in direct contact with crew, such as cabin air, are more likely to contain microorganisms than vent products associated with isolated systems, such as experiment module combustion products. • Mass of Vented Products: Higher-flow vents are more likely to contain detectible levels of microbial contaminants than lower-flow vents. • Local Environment: Sample locations with relatively benign local conditions, such as warm surfaces shielded from direct ultraviolet (UV) radiation exposure, may be more likely to support microbial growth than locations with harsher local environmental conditions. Because EVA accessibility is the most important criteria, the proposal team worked with an astronaut and flight controllers using the Dynamic Onboard Ubiquitous Graphics (DOUG) tool. The DOUG virtual environment allows an operator to “fly” around the current ISS vehicle configuration to assess EVA translation paths, attach points, and keep-out zones. While analysis on station or rapid return to Earth would be preferable, samples collected from the exterior of the ISS have already been exposed to temperature variations between -157 and +121 °C as well as hard vacuum. Therefore, they should be fairly stable and robust. We hypothesize that samples collected from the ISS exterior could be stored for up to 6 months at -80°C without degradation. Sample canisters will be returned to Earth while frozen at -80°C for analysis, and sterilized canisters can be re-flown back to ISS to support additional sampling opportunities Relevance to NASA Exploration Objectives: These data will allow us to identify new or improved methods, technologies, and procedures for spacecraft sterilization and leakage mitigation to minimize the amount of contamination introduced to the environment by human explorers. This work is funded by NASA research grant: NNH18ZDA001N-PPR References: [1] Bell, M.S. et al. (2015) LPS XLVI, Abst. #1832 [2] Rucker et al. (2018) 42nd COSPAR (PPP.3) [3] Bell, M.S. et al. (2019) Mars Extant Life Conference, Abst. #5096.[4] Bell, M.S. et al., (2020) 43rd COSPAR (BO.2).[5] Danko D, et.al.,(2021)Front.Microbiol.12:608478.

Mary Suzanne Bell↗
NASA NTRS2002

Rapid Modeling and Analysis Tools: Evolution, Status, Needs and Directions

Advanced aerospace systems are becoming increasingly more complex, and customers are demanding lower cost, higher performance, and high reliability. Increased demands are placed on the design engineers to collaborate and integrate design needs and objectives early in the design process to minimize risks that may occur later in the design development stage. High performance systems require better understanding of system sensitivities much earlier in the design process to meet these goals. The knowledge, skills, intuition, and experience of an individual design engineer will need to be extended significantly for the next generation of aerospace system designs. Then a collaborative effort involving the designer, rapid and reliable analysis tools and virtual experts will result in advanced aerospace systems that are safe, reliable, and efficient. This paper discusses the evolution, status, needs and directions for rapid modeling and analysis tools for structural analysis. First, the evolution of computerized design and analysis tools is briefly described. Next, the status of representative design and analysis tools is described along with a brief statement on their functionality. Then technology advancements to achieve rapid modeling and analysis are identified. Finally, potential future directions including possible prototype configurations are proposed.

Knight, Norman F., Jr.↗
NASA NTRSDate not supplied

Automation of the Uncertainty Quantification Process Based on Probability Boxes with DAKOTA

To date, while the use of CFD is prevalent, very few efforts have been undertaken that truly attempt to document all (or even most) of the sources of uncertainty in the simulations. Instead, the current state-of-the-art relies heavily on the experience of the CFD practitioner to estimate the uncertainty associated with their simulations through simple sensitivity studies or subject matter expertise. This practice will have to be replaced with a formal uncertainty quantification (UQ) process if CFD is to play an expanded role in the design research and engineering community, test and evaluation community, and ultimately certification for flight. This is especially true for hypersonic air-breathing propulsion systems due to the environment, scale, and duration limitations of ground test facilities. Accounting for uncertainties in a formal manner is a tedious process. Moreover, the typical CFD practitioner is not likely to be familiar with formal UQ methods. Hence, a major obstacle that has prevented the adoption of UQ methods for engineering design and development work is the lack of a tool set to automate most (if not all) of the UQ workflow. Towards this end, the SANDIA package DAKOTA (which has been developed to drive both UQ and optimization processes) will be tightly wrapped around the VULCAN-CFD code to automate the uncertainty quantification process. The automated process will be applied to an isolator turbulence model validation exercise that has previously been documented using a manual approach to the UQ process. Hence, the focus of this paper will be documenting the level to which automation can hide the UQ process details from the CFD practitioner rather than the UQ method itself.

CFD↗
NASA NTRS2019

Design Guide for Bearings Used in Cryogenic Turbopumps and Test Rigs

Cryogenic bearings are a unique and specialized area of the overall group of bearings that are used every day in industrial and aerospace applications. Cryogenic bearings operate in a unique environment that is not experienced by most bearing applications. The high speeds of turbomachinery, flow of cryogenic coolants, use of nonstandard materials, and lack of lubrication place unique demands on cryogenic bearings that must be met for the safety and success of the mission. To meet the goals of safety and success, requirements are put on the designer, manufacturer, and user that are not normally applied to off-the-shelf bearings. The designer has to have knowledge of the operating conditions, rotational speeds, loads, stresses, installation methods, inspection criteria, dimensional requirements, and design and analytical tools. The manufacturer needs to be aware of the materials used for cryogenic bearings, special heat treatments required, cleanliness of the processes, and inspection techniques to ensure a good product. The user needs to be aware of the safe handling practices to eliminate corrosion and debris, correct installation and removal procedures, pre- and post-test inspections, and the documentation that follow the bearings. This guide is based on the experiences of engineers at NASA Marshall Space Flight Center (MSFC) that have been involved in bearing research and testing along with specific bearing references that have been written. It is not meant to be a bearing design textbook for cryogenic bearing applications. These are available from many authors. Its purpose is to help the designer, manufacturer, or user in the application of cryogenic bearings to better understand the requirements placed on these bearings.

H. G. Gibson↗
DOE OSTI2022

Conceptual design of inverted core lead bismuth eutectic fast reactor for marine applications

The development of an inverted core fast reactor aims to generate 60 MWth for about 30 Effective Full Power Years without refueling. The reactor design is a transportable reactor using UO{sub 2} fuel and lead-bismuth-eutectic cooled designed for marine applications and is intended to improve the reactor performances compared to the normal core design: better condition for passive cooling system capability by lower core pressure drop, taking advantage of potential power uprate from the lower maximum fuel temperature. Systematic design processes are presented in this work: fuel pin geometry selection, fuel assembly (FA) design, and core design. A relationship between pressure drops, coolant velocity, maximum fuel temperature, coolant channel diameter, and fuel volume fraction was introduced in a single graph used as a tool to select fuel pin geometry. Fuel fabrication capability also took place in consideration of FA design which led to 7 holes per FA, and two-dimensional temperature distribution studies were also carried out. Core design processes including radial zoning, axial zoning, and core optimization were conducted using Monte Carlo code MCS, which is UNIST CORE laboratory in-house code. The current core design uses 3 fuel enrichment levels and 3 FA types to control the local power distribution and power shift during its lifetime. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS2008

Moving Away from Ones and Zeros, Designing a Ground Data System Based on Higher Levels of Abstraction

Previous JPL ground systems have been designed with the Ground Data System (GDS) engineer in mind. The focus on these systems has been on packaging and delivery of low level information (frames, packets, telemetry values) to the end user. It was not that long ago when project teams would be huddled over a workstation, examining crude displays of telemetry bits organized in various ways, trying to determine the status of a spacecraft. Understanding the data often required additional levels of GDS expertise, or worse, transformation of the raw data into alternative formats followed by ingestion into other tools so that the data became meaningful. The primary focus was often to answer these types of questions: "Why did this particular frame fail Reed-Solomon decode? Why did this packet get marked as invalid? Why am I missing a block of telemetry from my query?" -- which are completely valid questions to ask from a GDS Engineer's point of view, and large families of tools have been designed to help answer these questions. But these are not the questions that most users care about - which are more like: "Why is the battery state of charge trending down? Show me a summary image report for the last traverse to the target. Show me a data accountability summary for the last DSN pass." Answers to these questions, which are what users are looking for, requires a higher level of abstraction and supporting tools than mining through ones and zeros. JPL has created a next generation capability called the Mission Data Processing and Control System (MPCS) which is designed to support this higher level of abstraction by providing customizable views of the ground system combining collections of lower level information into more meaningful ways. Instead of examining frames, packets, and individual telemetry data points -- MPCS is capable of providing comprehensive summary reports, product status, overall flight/ground event status, as well as payload health summaries. Based on these higher level views, end users can make tactical or strategic decisions, or drop into detailed analysis as needed. System designers need to continue building systems that support low level GDS troubleshooting - but the basic design of a GDS should be geared towards what end users actually need to see. This paper will describe the capabilities of MPCS that directly support these higher levels of abstraction, and which are being used today in missions such as the Mars Science Laboratory and other NASA missions.

MPCS↗
DOE OSTI2026

Selective Electrochemical End‐Group Removal Enhances Polymer Thermal Stability

Here we introduce an electrochemical strategy for the selective and quantitative removal of thiocarbonylthio end groups from polymers prepared by reversible addition–fragmentation chain transfer (RAFT) or photoiniferter polymerization. Our results indicate that applying a cathodic potential in an undivided cell promotes reductive cleavage of the thiocarbonylthio moiety, generating terminal polymer radicals that are efficiently capped with hydrogen atoms in the presence of benign donors. This transformation proceeds cleanly across diverse polymer backbones and end-group chemistries, including trithiocarbonates and dithiobenzoates, without chain coupling or degradation. Moreover, the applied potential can be tuned to enable chemoselective end-group removal in mixed-polymer systems, a level of control inaccessible by thermal, photochemical, or nucleophilic strategies. Beyond delivering colorless and optically transparent materials, electrochemical end-group removal significantly enhances polymer stability. Poly(methyl methacrylate) subjected to electrochemical end-group removal exhibited a T 95 of 342 °C, exceeding the stabilities of analogous polymers with end groups removed by aminolysis (T 95 = 260 °C) or radical-based methods (T 95 = 299 °C). These findings demonstrate redox-directed post-polymerization modification as a tool for designing robust, transparent, and thermally stable macromolecules and establish electrochemistry as a platform strategy in polymer synthesis and processing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Rapid generation of optimal generalized Monkhorst-Pack grids

In this report computational modeling of the properties of crystalline materials has become an increasingly important aspect of materials research, consuming hundreds of millions of CPU-hours at scientific computing centers around the world each year, if not more. A routine operation in such calculations is the evaluation of integrals over the Brillouin zone. We have previously demonstrated that performing such integrals using generalized Monkhorst-Pack k-point grids can roughly double the speed of these calculations relative to the widely-used traditional Monkhorst-Pack grids. However the generation of optimal generalized Monkhorst-Pack grids is not implemented in most software packages due to the computational cost and difficulty of identifying the best grids. To address this problem, we present new algorithms that allow rapid generation of optimal generalized Monkhorst-Pack grids on the fly. We demonstrate that the grids generated by these algorithms are on average significantly more efficient than those generated using existing algorithms across a range of grid densities. For grids that correspond to a real-space supercell with at least 50 Å between lattice points, which is sufficient to converge density functional theory calculations within 1 meV/atom for nearly all materials, our algorithm finds optimized grids in an average of 0.19 s on a single processing core. To facilitate the widespread adoption of this approach, we present new open-source tools including a library designed for integration with third-party software packages.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Engineering of non-model eukaryotes for bioenergy and biochemical production

The prospect of leveraging naturally occurring phenotypes to overcome bottlenecks constraining the bioeconomy has marshalled increased exploration of nonconventional organisms. This review discusses the status of non-model eukaryotic species in bioproduction, the evaluation criteria for effectively matching a candidate host to a biosynthetic process, and the genetic engineering tools needed for host domestication. Here, we present breakthroughs in genome editing and heterologous pathway design, delving into innovative spatiotemporal modulation strategies that potentiate more refined engineering capabilities. We cover current understanding of genetic instability and its ramifications for industrial scale-up, highlighting key factors and possible remedies. Finally, we propose future opportunities to expand the current collection of available hosts and provide guidance to benefit the broader bioeconomy.

60 APPLIED LIFE SCIENCES↗