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

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Determining Utility System Value of Demand Flexibility From Grid-interactive Efficient Buildings

This report focuses on ways current methods and practices that establish the value to electric utility systems of distributed energy resource (DER) investments can be enhanced to determine the value of demand flexibility in grid-interactive efficient buildings that can provide grid services. The report introduces key valuation concepts that are applicable to demand flexibility that these buildings can provide and links to other documents that describe these concepts and their implementation in more detail.The scope of this report is limited to the valuation of economic benefits to the utility system. These are the foundational values on which other benefits (and costs) can be built. Establishing the economic value to the grid of demand flexibility provides the information needed to design programs, market rules, and rates that align the economic interest of utility customers with building owners and occupants. By nature, DERs directly impact customers and provide societal benefits external to the utility system. Jurisdictions can use utility system benefits and costs as the foundation of their economic analysis but align their primary cost-effectiveness metric with all applicable policy objectives, which may include customer and societal (non-utility system) impacts.This report suggests enhancements to current methods and practices that state and local policymakers, public utility commissions, state energy offices, utilities, state utility consumer representatives, and other stakeholders might support. These enhancements can improve the consistency and robustness of economic valuation of demand flexibility for grid services. The report concludes with a discussion of considerations for prioritizing implementation of these improvements.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Xylella fastidiosa modulates exopolysaccharide polymer length and the dynamics of biofilm development with a β-1,4-endoglucanase

Xylella fastidiosa is a Gram-negative bacterium that causes disease in many economically important crops. It colonizes the plant host xylem and the mouthparts of its insect vectors where it produces exopolysaccharide (EPS) and forms robust biofilms. Typically, the ability to form a biofilm enhances virulence, but X. fastidiosa does not fit neatly into that paradigm. Instead, X. fastidiosa enters into biofilms to attenuate its movement in the xylem, which, in turn, slows disease progression. In most of its over 600 known plant hosts, X. fastidiosa behaves as a benign commensal, but in some hosts like Vitis vinifera grapevines, it acts as a pathogen. Its ability to attenuate its own virulence in susceptible hosts may be a remnant of its commensal lifestyle in other hosts. Here, we demonstrate that X. fastidiosa utilizes a β-1,4 endoglucanase to cleave its self-produced β-1,4-glucan exopolysaccharide polymer to process it from a higher molecular weight to a lower molecular weight polymer. This processing mediates surface adherence of the cells and ultimately governs overall biofilm architecture, indicating enzymatic pruning of the EPS plays a key role in biofilm-mediated attenuation of X. fastidiosa in planta and, thus, is a key vestige that links its commensal behaviors to its parasitic behaviors in specific hosts.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Catabolism of β-5 linked aromatics by Novosphingobium aromaticivorans

ABSTRACT Aromatic compounds are an important source of commodity chemicals traditionally produced from fossil fuels. Aromatics derived from plant lignin can potentially be converted into commodity chemicals through depolymerization followed by microbial funneling of monomers and low molecular weight oligomers. This study investigates the catabolism of the β-5 linked aromatic dimer dehydrodiconiferyl alcohol (DC-A) by the bacterium Novosphingobium aromaticivorans . We used genome-wide screens to identify candidate genes involved in DC-A catabolism. Subsequent in vivo and in vitro analyses of these candidate genes elucidated a catabolic pathway composed of four required gene products and several partially redundant dehydrogenases that convert DC-A to aromatic monomers that can be funneled into the central aromatic metabolic pathway of N. aromaticivorans . Specifically, a newly identified γ-formaldehyde lyase, PcfL, opens the phenylcoumaran ring to form a stilbene and formaldehyde. A lignostilbene dioxygenase, LsdD, then cleaves the stilbene to generate the aromatic monomers vanillin and 5-formylferulate (5-FF). We also showed that the aldehyde dehydrogenase FerD oxidizes 5-FF before it is decarboxylated by LigW, yielding ferulic acid. We found that some enzymes involved in the β-5 catabolism pathway can act on multiple substrates and that some steps in the pathway can be mediated by multiple enzymes, providing new insights into the robust flexibility of aromatic catabolism in N. aromaticivorans . A comparative genomic analysis predicted that the newly discovered β-5 aromatic catabolic pathway is common within the order Sphingomonadales. IMPORTANCE In the transition to a circular bioeconomy, the plant polymer lignin holds promise as a renewable source of industrially important aromatic chemicals. However, since lignin contains aromatic subunits joined by various chemical linkages, producing single chemical products from this polymer can be challenging. One strategy to overcome this challenge is using microbes to funnel a mixture of lignin-derived aromatics into target chemical products. This approach requires strategies to cleave the major inter-unit linkages of lignin to release monomers for funneling into valuable products. In this study, we report newly discovered aspects of a pathway by which the Novosphingobium aromaticivorans DSM12444 catabolizes aromatics joined by the second most common inter-unit linkage in lignin, the β-5 linkage. This work advances our knowledge of aromatic catabolic pathways, laying the groundwork for future metabolic engineering of this and other microbes for optimized conversion of lignin into products.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Adaptive_Evolution_2026

Thermoanaerobacterium saccharolyticum, an anaerobic and thermophilic bacterium capable of metabolizing sugar monomers and soluble oligomers into ethanol, has been proposed for use in consolidated bioprocessing in coculture with compatible cellulolytic bacteria such asClostridium thermocellum. Although the mixed acid fermentation of both of these strains has been engineered to produce ethanol as the major fermentation product, the maximum titer produced thus far byC. thermocellum, about 3% (w/v) ethanol, is half that produced byT. saccharolyticum. There is thus motivation to understand the mechanistic basis of the robust ethanol pathway inT. saccharolyticumso that key features can be recapitulated inC. thermocellumand other organisms.Previously, we characterized theindividualrole of the main genes responsible for electron transfer in the ethanol production ofT. saccharolyticum. However, the consequences of thecombinedloss of function of all these genes have not been investigated, nor has the way in which fermentative metabolism adapts to such constraints. In this work, we combined knockouts of ferredoxin nicotinamide oxidoreductase (fnor) genes (nfnAandnfnB) and hydrogenase genes (hydAandhfsD) and studied their effects on fermentation and grow. We showed that these genetic modifications together impair growth and decrease electron transfer from reduced ferredoxin, thereby redirecting flux from the pyruvate ferredoxin oxidoreductase enzyme to the pyruvate formate lyase enzyme. We also performed adaptive evolution of these mutants to rescue their growth, and most notably, we observed a single nucleotide variation in the alcohol dehydrogenaseadhAgene. Through molecular dynamics simulations and enzymatic assays, we determined that this point mutation causes a structural change that impairs the AdhA specificity for the NADPH cofactor and increases NADH-linked activity to restore redox balance. These findings consolidate our understanding of the functioning of electron transfer pathways in this organism.

alcohol dehydrogenase↗
DOE OSTI2024

Geospatial Data Platform for All

Spatiotemporal data has evolved in scale due to augmented use in cross-domain applications. Simultaneously, there is substantial growth in the availability of Geographic Information Systems (GIS) data provided by the United States Geological Survey (USGS) along with other federal, state, county, or local agencies through open-data portals and public access APIs. However, data availability does not equate with accessibility. Large-scale analyses and applications require robust, performant data management with co-location of data storage and computing. The insufficiency of data management infrastructure compels researchers to adopt ad hoc project- specific GIS data storage solutions (e.g., copying data to High-Performance computer file systems). As an ad hoc storage strategy does not scale, it hampers cross-domain analyses causing difficulty in data reuse and utilizing existing code bases. Furthermore, GIS data is complex and requires expertise to analyze and manipulate due to its intricate data structures and data-specific projection transformations. Despite the challenges, we recognize that derived GIS data products, e.g., satellite or LIDAR-based images, can be used in downstream applications such as AI by domain, but non-GIS experts. To address the data needs and overcome the challenges, we are working towards a GIS Data Platform focused on efficient data storage, data discovery and access, and an API to enable common workflows. We propose a knowledge-graph (KG) approach for data discovery, whereby datasets are semantically linked to higher- level constructs such as projects and research areas. The semantic data links enable researchers to explore datasets in a top-down approach by specifying relevant and meaningful terms (assists in finding hidden data). An advantage is that the nodes and edges in a knowledge graph create built-in semantic documentation. Deeper spatiotemporal connections between data sources can be encoded via Graph Neural Networks (GNN) (Zhang et al., 2021). The KG approach can be extended to integrate the data itself in a Virtual KG (VKG). Our work will derive inspiration from large-scale VKG efforts that have been undertaken or are currently underway as part of the OpenStreetMap project (Ding et al., 2021). For DOE Data Days, we share the proposed geospatial data platform hybrid (cloud/on-prem) architecture, our work-to-date on storing, retrieving, and transforming LiDAR and raster data relevant to two important NREL use-cases, including the Renewable Energy Potential (reV) Model, and present our proposal for a KG based data discovery engine.

data platform↗
DOE OSTI2024

Digital Tools for the Preventive Conservation of Built Heritage: The Church of Santa Ana in Seville

Historic Building Information Modelling (HBIM) plays a pivotal role in heritage conservation endeavours, offering a robust framework for digitally documenting existing structures and supporting conservation practices. However, HBIM’s efficacy hinges upon the implementation of case-specific approaches to address the requirements and resources of each individual asset and context. This paper defines a flexible and generalisable workflow that encompasses various aspects (i.e., documentation, surveying, vulnerability assessment) to support risk-informed decision making in heritage management tailored to the peculiar conservation needs of the structure. This methodology includes an initial investigation covering historical data collection, metric and condition surveys and non-destructive testing. The second stage includes Finite Element Method (FEM) modelling and structural analysis. All data generated and processed are managed in a multi-purpose HBIM model. The methodology is tested on a relevant case study, namely, the church of Santa Ana in Seville, chosen for its historical significance, intricacy and susceptibility to seismic action. The defined level of detail of the HBIM model is sufficient to inform the structural analysis, being balanced by a more accurate representation of the alterations, through linked orthophotos and a comprehensive list of alphanumerical parameters. This ensures an adequate level of information, optimising the trade-off between model complexity, investigation time requirements, computational burden and reliability in the decision-making process. Field testing and FEM analysis provide valuable insight into the main sources of vulnerability in the building, including the connection between the tower and nave and the slenderness of the columns.

Chaves, Estefanía↗
DOE OSTI2021

Offline Arterial Signal Timing Optimization based on Virtual Phase Link Model - A Real-world Case Study

Conventional signal timing for arterial usually takes bottom-up approaches. Engineers optimize each individual intersection first and then coordinate them by adjusting the offsets. This work is based on the Virtual Phase-Link (VPL) model, a street traffic model designed for online traffic model predictive control, to obtain a top-down offline arterial signal timing. We Studied the Shallowford Rd. in Chattanooga, TN and found that the inconsistency in intersection capacities along the arterial could lead to some intersections becoming bottlenecks. Signal timing is a significant factor that affect the intersection capacities. We realized that the VPL-based model can guarantee the consistency in intersections along an arterial. We therefore adopted the VPL-based model and developed an offline signal timing optimization approach. The proposed timing derived from the VPL-based offline signal timing optimization showed very good results in simulation. The Chattanooga Department of Transportation adopted the optimized timing obtained from the proposed approach and gave positive feedbacks to the research team. We also collected field experiment data, which demonstrated overall energy reductions and speed improvements on some sections of the Shallowford Rd. arterial. We will continue the experiment when the COVID-19 pandemic impact subsides to have a more robust quantitative evaluation.

Wang, Qichao↗
NASA NTRS2018

A Prognostics Framework Development for Swarm Satellite Formations

Prognostics is the science of predicting the failure(s) of a component or a system and understanding how the performance will change in the event of a failure or degradation mechanism. With accurate predictions of possible failures, autonomous mitigative actions can be taken to correct/repair any issues or alert human operators of a failure threshold exceedance requiring condition-based maintenance. Although there is extensive research on failure predictions for a component or a system, there are significantly more opportunities to foray into failure predictions and prognostics for a system of systems such as an airspace consisting of multiple aircraft, a fleet of unmanned aerial vehicles, and a swarm of intelligent satellite systems. Failure prediction and mitigation are particularly important in autonomous systems such as satellite swarm systems that need effective resource management and minimal human interactions. Based on NASA's decadal survey, there is a clear need to prioritize the development of satellite swarm technology for studies of space physics and Earth science. The science community will propose future missions that return in-situ measurements from a 3-D (three-dimensional) volume of space, with relative spacecraft motion and inter-satellite baselines controlled according to the mission objectives. For such multi-spacecraft missions, it is required that ground operations resources do not scale with the number of satellites, thus compromising the swarm or leading to inefficiencies in resource allocation. Swarms of tens or hundreds of small satellites will require autonomy in attitude control, navigation and failure. Although significant research has been conducted in the areas of autonomous formation flying algorithms, less attention has been given to the development of resilient systems robust to failures.The focus of this research paper is the integration of model-based prognostics into the swarm dynamics control and decision-making algorithms. We simulate swarm management strategies for a subsystem failure to demonstrate the importance of failure predictions by comparing two cases: (i) no health information is provided to the system and utilized in the decision-making process and (2) system health information is obtained using prognostics and employed by the control system. One example scenario presented is for the GPS (Global Positioning System) system of an individual satellite to perform off-nominally due to increasing estimated error. In this scenario, the keep-out zone for that satellite would become more conservative, thereby decreasing the risk of collision. This is achieved via tuning the individual artificial repulsive functions assigned to each satellite.This paper is structured as follows. First we provide an overview of current swarm technology development, where we specifically use the term swarm to define multiple satellites flying in formation in similar orbits, with cross-link communication and station-keeping capabilities. Second, we give an introduction to the Swarm Orbital Dynamics Advisor (SODA), a tool that accepts high-level configuration commands and provides the orbital maneuvers required to achieve the prescribed formation configuration. Third, we provide the details of the model-based prognostics algorithm implementation in SODA. Finally, we present different case studies for potential component/subsystem failures and the swarm responses based with and without failure prediction information.

prognostics↗
DOE OSTI2021

Transient cycling of nitrogen, organic carbon and oxygen within the free-flowing Columbia River corridor: Linking exposure time dependent biogeochemical reactions to river stage fluctuations (Final project report)

The objective of this project was to develop next-generation techniques for representing the transformations of complex reaction networks like those impacting transient river-corridors, then apply them to develop upscaling tools. The project contributed significantly to the development of Lagrangian “mass transfer particle tracking” (MTPT) tools that are the first numerical framework that explicitly separates mixing and spreading processes; a crucial distinction for accurate representations of reaction rates across scales. The MTPT approach uses an operator splitting scheme where physical transport processes are simulated using classical random walk methods and each particle is treated as a “container” that carries with it any number of chemical species. Mixing between particles is simulated using a colocation-probability based mass transfer kernel and reactions are evaluated on each particle after mixing. The method is stable, accurate, and also allows the explicit modeling of residence time distributions of the individual containers of mass. The MTPT scheme allowed us to explore several research questions related to reactive transport in river corridors and complex reaction networks. We found that it is possible to quantify the exposure time distributions (ETDs) of reactants and that this does suggest some pathways to upscaling. However, comparable approximations can be obtained using simplified (reduced dimensionality) MTPT simulations in less time with similar uncertainty, so development of extensive ETD-based methods was not productive. The major findings are that i) the MTPT schemes are robust and highly accurate across a range of arbitrarily complex reactions, ii) the methods can be efficiently parallelized and the parallel performance characteristics of MTPT are predictable, and iii) the MTPT tools allow simultaneous tracking of residence time. The development of these research tools into efficient software packages continues. The methods are already available to the community because open-source, working examples have been included with all publications.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Linking international technical specifications for acoustic characterization of marine energy converter sounds with environmental compliance criteria

As new ocean energy technologies emerge and are deployed for testing and operations, sound emissions are a potential concern for environmental effects to marine life. Consistent acoustic measurement and data analysis methods can help promote comparisons of technologies and transferability between project sites. In 2022, acoustic emissions from a prototype scale wave energy converter (WEC) were characterized for a range of environmental conditions and power generation states in the coastal waters off southern California using a set of international technical specifications. Results from the international technical specification analyses were applied to United States regulatory threshold criteria for acoustic impacts to marine mammals and examined in the context of European underwater noise monitoring guidelines. Weighted 24 hour cumulative sound exposure levels SEL24h calculated from the highest power generation state WEC sound pressure levels were often more than 20 dB below threshold criteria for temporary threshold shifts in five relevant marine mammal hearing groups. Following European Union recommendations for analyses and reporting, WEC sound characterization in third octave bands centered at 63 Hz and 125 Hz show clear spatial decay of WEC-generated noise, with more pronounced attenuation at 63 Hz, and a less marked but still detectable gradient at 125 Hz, collectively suggesting a relatively confined acoustic footprint under the observed conditions. The value of the international technical specification approach is highlighted by the isolation of WEC sounds from the surrounding soundscape. This allows for a robust characterization of acoustic emissions through a range of device power generation and sea states. Furthermore, in threshold-based regulatory contexts like the U.S., this facilitates direct evaluation of source contributions, while in broader monitoring frameworks used in the E.U. it provides a reproducible foundation for assessing the contribution of emerging ocean energy technologies to the underwater acoustic environment.

Haxel, Joseph H. (ORCID:0000000273864761)↗
NASA NTRS2010

Aerosol-Induced Changes of Convective Cloud Anvils Produce Strong Climate Warming

The effect of aerosol on clouds poses one of the largest uncertainties in estimating the anthropogenic contribution to climate change. Small human-induced perturbations to cloud characteristics via aerosol pathways can create a change in the top-of-atmosphere radiative forcing of hundreds of Wm(exp-2) . Here we focus on links between aerosol and deep convective clouds of the Atlantic and Pacific Intertropical Convergence Zones, noting that the aerosol environment in each region is entirely different. The tops of these vertically developed clouds consisting of mostly ice can reach high levels of the atmosphere, overshooting the lower stratosphere and reaching altitudes greater than 16 km. We show a link between aerosol, clouds and the free atmosphere wind profile that can change the magnitude and sign of the overall climate radiative forcing. We find that increased aerosol loading is associated with taller cloud towers and anvils. The taller clouds reach levels of enhanced wind speeds that act to spread and thin the anvi1 clouds, increasing areal coverage and decreasing cloud optical depth. The radiative effect of this transition is to create a positive radiative forcing (warming) at top-of-atmosphere. Furthermore we introduce the cloud optical depth (r), cloud height (Z) forcing space and show that underestimation of radiative forcing is likely to occur in cases of non homogenous clouds. Specifically, the mean radiative forcing of towers and anvils in the same scene can be several times greater than simply calculating the forcing from the mean cloud optical depth in the scene. Limitations of the method are discussed, alternative sources of aerosol loading are tested and meteorological variance is restricted, but the trend of taller clouds; increased and thinner anvils associated with increased aerosol loading remains robust through all the different tests and perturbations.

Koren, I.↗
DOE OSTI2023

Updated Virophage Taxonomy and Distinction from Polinton-like Viruses

Virophages are small dsDNA viruses that hijack the machinery of giant viruses during the co-infection of a protist (i.e., microeukaryotic) host and represent an exceptional case of “hyperparasitism” in the viral world. While only a handful of virophages have been isolated, a vast diversity of virophage-like sequences have been uncovered from diverse metagenomes. Their wide ecological distribution, idiosyncratic infection and replication strategy, ability to integrate into protist and giant virus genomes and potential role in antiviral defense have made virophages a topic of broad interest. However, one limitation for further studies is the lack of clarity regarding the nomenclature and taxonomy of this group of viruses. Specifically, virophages have been linked in the literature to other “virophage-like” mobile genetic elements and viruses, including polinton-like viruses (PLVs), but there are no formal demarcation criteria and proper nomenclature for either group, i.e., virophage or PLVs. Here, as part of the ICTV Virophage Study Group, we leverage a large set of genomes gathered from published datasets as well as newly generated protist genomes to propose delineation criteria and classification methods at multiple taxonomic ranks for virophages ‘sensu stricto’, i.e., genomes related to the prototype isolates Sputnik and mavirus. Based on a combination of comparative genomics and phylogenetic analyses, we show that this group of virophages forms a cohesive taxon that we propose to establish at the class level and suggest a subdivision into four orders and seven families with distinctive ecogenomic features. Finally, to illustrate how the proposed delineation criteria and classification method would be used, we apply these to two recently published datasets, which we show include both virophages and other virophage-related elements. Overall, we see this proposed classification as a necessary first step to provide a robust taxonomic framework in this area of the virosphere, which will need to be expanded in the future to cover other virophage-related viruses such as PLVs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Development of 2nd generation aminomethyl spectinomycins that overcome native efflux in Mycobacterium abscessus

Mycobacterium abscessus (Mab), a nontuberculous mycobacterial (NTM) species, is an emerging pathogen with high intrinsic drug resistance. Current standard-of-care therapy results in poor outcomes, demonstrating the urgent need to develop effective antimycobacterial regimens. Through synthetic modification of spectinomycin (SPC), we have identified a distinct structural subclass of N-ethylene linked aminomethyl SPCs (eAmSPCs) that are up to 64-fold more potent against Mab over the parent SPC. Mechanism of action and crystallography studies demonstrate that the eAmSPCs display a mode of ribosomal inhibition consistent with SPC. However, they exert their increased antimicrobial activity through enhanced accumulation, largely by circumventing efflux mechanisms. The N-ethylene linkage within this series plays a critical role in avoiding TetV-mediated efflux, as lead eAmSPC 2593 displays a mere fourfold susceptibility improvement against Mab ΔtetV, in contrast to the 64-fold increase for SPC. Even a minor shortening of the linkage by a single carbon, akin to 1st generation AmSPC 1950, results in a substantial increase in MICs and a 16-fold rise in susceptibility against Mab ΔtetV. These shifts suggest that longer linkages might modify the kinetics of drug expulsion by TetV, ultimately shifting the equilibrium towards heightened intracellular concentrations and enhanced antimicrobial efficacy. Furthermore, lead eAmSPCs were also shown to synergize with various classes of anti-Mab antibiotics and retain activity against clinical isolates and other mycobacterial strains. Encouraging pharmacokinetic profiles coupled with robust efficacy in Mab murine infection models suggest that eAmSPCs hold the potential to be developed into treatments for Mab and other NTM infections.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2013

Aerogel-Based Multilayer Insulation with Micrometeoroid Protection

Ultra-low-density, highly hydrophobic, fiber-reinforced aerogel material integrated with MLI (aluminized Mylar reflectors and B4A Dacron separators) offers a highly effective insulation package by providing unsurpassed thermal performance and significant robustness, delivering substantial MMOD protection via the addition of a novel, durable, external aerogel layer. The hydrophobic nature of the aerogel is an important property for maintaining thermal performance if the material is exposed to the environment (i.e. rain, snow, etc.) during ground installations. The hybrid aerogel/MLI/MMOD solution affords an attractive alternative because it will perform thermally in the same range as MLI at all vacuum levels (including high vacuum), and offers significant protection from micrometeoroid damage. During this effort, the required low-density and resilient aerogel materials have been developed that are needed to optimize the thermal performance for space (high vacuum) cryotank applications. The proposed insulation/MMOD package is composed of two sections: a stack of interleaved aerogel layers and MLI intended for cryotank thermal insulation, and a 1.5- to 1-in. (.2.5- to 3.8- cm) thick aerogel layer (on top of the insulation portion) for MMOD protection. Learning that low-density aerogel cannot withstand the hypervelocity impact test conditions, the innovators decided during the course of the program to fabricate a high-density and strong material based on a cross-linked aerogel (X-aerogel; developed elsewhere by the innovators) for MMOD protection. This system has shown a very high compressive strength that is capable of withstanding high-impact tests if a proper configuration of the MMOD aerogel layer is used. It was learned that by stacking two X-aerogel layers [1.5-in. (.3.8-cm) thick] separated by an air gap, the system would be able to hold the threat at a speed of 5 km/s and gpass h the test. The first aerogel panel stopped the projectile from damaging the second aerogel panel. The impacted X-aerogel (the back specimen from the successful test) was further tested in comparison to another similar sample (not impacted) at Kennedy Space Center for thermal conductivity evaluation at cryogenic conditions. The specimens were tested under high vacuum and cryogenic temperatures, using Cryostat 500. The results show that the specimen did not lose a significant amount of thermal performance due to the impact test, especially at high vacuum.

Begag, Redouane↗
NASA NTRS2009

Linear Actuator Has Long Stroke and High Resolution

The term precision linear actuator, direct drive ( PLADD ) refers to a robust linear actuator designed to be capable of repeatedly performing, over a lifetime of the order of 5 to 10 years, positioning maneuvers that include, variously, submicron increments or slews of the order of a centimeter. The PLADD is capable of both long stroke (120 mm) and high resolution (repeatable increments of 20 nm). Unlike precise linear actuators of prior design, the PLADD contains no gears, levers, or hydraulic converters. The PLADD, now at the prototype stage of development, is intended for original use as a coarse-positioning actuator in a spaceborne interferometer. The PLADD could also be adapted to terrestrial applications in which there are requirements for long stroke and high resolution: potential applications include medical imaging and fabrication of semiconductor devices. The PLADD (see figure) includes a commercially available ball-screw actuator driven directly by a commercially available three-phase brushless DC motor. The ball-screw actuator comprises a spring-preloaded ball nut on a ball screw that is restrained against rotation as described below. The motor is coupled directly (that is, without an intervening gear train) to a drive link that, in turn, is coupled to the ball nut. By eliminating the gear train, the direct-drive design eliminates the complexity, backlash, and potential for misalignment associated with a gear train. To prevent inadvertent movement, there is a brake that includes flexured levers compressed against the drive link by preload springs. This is a power-off brake: There are also piezoelectric stacks that can be activated to oppose the springs and push the levers away from the drive link. Hence, power must be applied to the piezoelectric stacks to release the drive link from braking. To help ensure long operational life, all of the mechanical drive components are immersed in an oil bath within hermetically sealed bellows. The outer end of the bellows holds the outer end of the ball screw, thereby preventing rotation of the ball screw. Positioning is controlled by an electronic control system that includes digital and analog subsystems that interact with the motor and brake and with two sensor/encoder units: a Hall-effect-sensor rotation encoder and a linear glass-scale encoder. This system implements a proportional + integral + derivative control algorithm that results in variation of voltage commands to each of the three pairs of windings of the brushless DC motor. In one of two alternative control modes, the voltages are applied to the windings in a trapezoidal commutation scheme on the basis of timing signals obtained from the Hall-effect sensors; this scheme yields relatively coarse positioning - 24 steps per motor revolution. The second control mode involves a sinusoidal commutation scheme in which the output of the linear glass-scale encoder is transposed to rotational increments to yield much finer position feedback - more than 400,000 steps per revolution.

Cook, Brant T.↗
DOE OSTI2022

COMPILE: a GWAS computational pipeline for gene discovery in complex genomes

Abstract Background Genome-Wide Association Studies (GWAS) are used to identify genes and alleles that contribute to quantitative traits in large and genetically diverse populations. However, traits with complex genetic architectures create an enormous computational load for discovery of candidate genes with acceptable statistical certainty. We developed a streamlined computational pipeline for GWAS (COMPILE) to accelerate identification and annotation of candidate maize genes associated with a quantitative trait, and then matches maize genes to their closest rice and Arabidopsis homologs by sequence similarity. Results COMPILE executed GWAS using a Mixed Linear Model that incorporated, without compression, recent advancements in population structure control, then linked significant Quantitative Trait Loci (QTL) to candidate genes and RNA regulatory elements contained in any genome. COMPILE was validated using published data to identify QTL associated with the traits of α-tocopherol biosynthesis and flowering time, and identified published candidate genes as well as additional genes and non-coding RNAs. We then applied COMPILE to 274 genotypes of the maize Goodman Association Panel to identify candidate loci contributing to resistance of maize stems to penetration by larvae of the European Corn Borer ( Ostrinia nubilalis ). Candidate genes included those that encode a gene of unknown function, WRKY and MYB-like transcriptional factors, receptor-kinase signaling, riboflavin synthesis, nucleotide-sugar interconversion, and prolyl hydroxylation. Expression of the gene of unknown function has been associated with pathogen stress in maize and in rice homologs closest in sequence identity. Conclusions The relative speed of data analysis using COMPILE allowed comparison of population size and compression. Limitations in population size and diversity are major constraints for a trait and are not overcome by increasing marker density. COMPILE is customizable and is readily adaptable for application to species with robust genomic and proteome databases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Heterogenous catalysis for oxygen tolerant photoredox atom transfer radical polymerization and small-molecule dehalogenation

Heterogeneous photocatalysts (PCs) have garnered attention for their sustainability and cost-effectiveness. Despite the existence of various types of these PCs, their synthesis often involves complex, multi-step procedures and laborious purification. Herein, we propose a simple method for attaching small-molecule photocatalytic species onto crosslinked 3-D polymer networks as insoluble scaffolds to create robust heterogeneous PCs. The highly swellable poly(ethylene glycol)-based ChemMatrix (CM) resin, known for its amphiphilic properties and high functional group loading, facilitated the covalent immobilization of the photoredox dye Eosin Y (EY), but also streamlined functionalization with Ir( III ) complexes. The resulting heterogeneous CM-EY demonstrated efficient photocatalytic performance in open-to-air dual photoredox catalysis of atom transfer radical polymerization (photo-ATRP) under green light. This was confirmed by the well-controlled synthesis of polymers with molecular masses ranging from 20 kDa to 300 kDa and low dispersities. Furthermore, CM-EY exhibited excellent photostability and recyclability over multiple cycles of ATRP. The heterogeneous catalysis of photo-ATRP provided high temporal control and enabled benign conditions for synthesizing protein-polymer hybrids (PPH). When combined with the initiator-modified CM (CM-BIB), CM-EY facilitated the solid-phase synthesis of homopolymers and block copolymers with recyclable performance. However, the coordinatively bound Ir@CM showed decreased catalytic activity and efficiency toward photoredox dehalogenation due to the leaching of active species during recycling. This study highlights the advantages of the covalent linking of catalysts to solid supports over non-covalent interactions, underscoring the potential of functionalized polymer resin as a promising scaffold. Such an approach offers customization and tunability, presenting opportunities for innovation in green chemistry.

Kapil, Kriti↗
DOE OSTI2022

Identifying intragenic functional modules of genomic variations associated with cancer phenotypes by learning representation of association networks

Background Genome-wide Association Studies (GWAS) aims to uncover the link between genomic variation and phenotype. They have been actively applied in cancer biology to investigate associations between variations and cancer phenotypes, such as susceptibility to certain types of cancer and predisposed responsiveness to specific treatments. Since GWAS primarily focuses on finding associations between individual genomic variations and cancer phenotypes, there are limitations in understanding the mechanisms by which cancer phenotypes are cooperatively affected by more than one genomic variation. Results This paper proposes a network representation learning approach to learn associations among genomic variations using a prostate cancer cohort. The learned associations are encoded into representations that can be used to identify functional modules of genomic variations within genes associated with early- and late-onset prostate cancer. The proposed method was applied to a prostate cancer cohort provided by the Veterans Administration’s Million Veteran Program to identify candidates for functional modules associated with early-onset prostate cancer. The cohort included 33,159 prostate cancer patients, 3181 early-onset patients, and 29,978 late-onset patients. The reproducibility of the proposed approach clearly showed that the proposed approach can improve the model performance in terms of robustness. Conclusions To our knowledge, this is the first attempt to use a network representation learning approach to learn associations among genomic variations within genes. Associations learned in this way can lead to an understanding of the underlying mechanisms of how genomic variations cooperatively affect each cancer phenotype. This method can reveal unknown knowledge in the field of cancer biology and can be utilized to design more advanced cancer-targeted therapies.

60 APPLIED LIFE SCIENCES↗