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

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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Adaptable Monitoring Package Development and Deployment: Lessons Learned for Integrated Instrumentation at Marine Energy Sites

Integrated instrumentation packages are an attractive option for environmental and ecological monitoring at marine energy sites, as they can support a range of sensors in a form factor compact enough for the operational constraints posed by energetic waves and currents. Here we present details of the architecture and performance for one such system—the Adaptable Monitoring Package—which supports active acoustic, passive acoustic, and optical sensing to quantify the physical environment and animal presence at marine energy sites. we describe cabled and autonomous deployments and contrast the relatively limited system capabilities in an autonomous operating mode with more expansive capabilities, including real-time data processing, afforded by shore power or in situ power harvesting from waves. Across these deployments, we describe sensor performance, outcomes for biological target classification algorithms using data from multibeam sonars and optical cameras, and the effectiveness of measures to limit biofouling and corrosion. On the basis of these experiences, we discuss the demonstrated requirements for integrated instrumentation, possible operational concepts for monitoring the environmental and ecological effects of marine energy converters using such systems, and the engineering trade-offs inherent in their development. Overall, we find that integrated instrumentation can provide powerful capabilities for observing rare events, managing the volume of data collected, and mitigating potential bias to marine animal behavior. These capabilities may be as relevant to the broader oceanographic community as they are to the emerging marine energy sector.

16 TIDAL AND WAVE POWER↗
DOE OSTI2023

Exclusion and Verification of Remote Nuclear Reactors with a 1-kiloton Gd -Doped Water Detector

To date, antineutrino experiments built for the purpose of demonstrating a nonproliferation capability have typically employed organic scintillators situated as close to the core as possible (typically at a distance of a few meters to tens of meters) and have not exceeded a few tons in size. One problem with this approach is that proximity to the reactor core requires accommodation by the host facility. Water Cherenkov detectors located offsite, at distances of a few kilometers or greater, may facilitate nonintrusive monitoring and verification of reactor activities over a large area. As the standoff distance increases, the detector target mass must scale accordingly. This paper quantifies the degree to which a kiloton-scale gadolinium-doped water Cherenkov detector can exclude the existence of undeclared reactors within a specified distance, and remotely detect the presence of a hidden reactor in the presence of declared reactors, by verifying the operational power and standoff distance using a Feldman-Cousins-based likelihood analysis. A 1-kton scale (fiducial) water Cherenkov detector can exclude gigawatt-scale nuclear reactors up to tens of kilometers within a year. In conclusion, when attempting to identify the specific range and power of a reactor, the detector energy resolution is not sufficient to delineate between the two.

42 ENGINEERING↗
DOE OSTI2025

Measurements of short-lived fission product yields from photofission of 238 U using 13.0 MeV monoenergetic photons

Photon-induced fission product yield (FPY) measurements were conducted on the isotope 238U. Fission was induced using Eγ = 13.0 MeV monoenergetic photons produced by the Triangle Universities Nuclear Laboratory’s (TUNL’s) High Intensity γ-ray Source (HIγS) facility. Short-lived FPYs were measured by performing cyclic activation of the sample using a rapid target transfer system. Following activation, the 238U target was rapidly (0.4 s) transferred to a counting station consisting of two well-shielded high-purity germanium (HPGe) detectors. The irradiation-counting cycle was repeated until the summed data had sufficient statistical accuracy. Twenty-eight unique fission products with half-lives ranging from 1 s to 450 s were identified, and their cumulative FPYs determined. Furthermore, the results are compared with previous independent FPY measurements using inverse kinematics. Good agreement between the data sets is found despite the different excitation energy distributions of the fissioning nucleus in the experiments.

Physics - Nuclear physics and radiation physics↗
DOE OSTI2023

Simultaneous stabilization and control of the n = 1 and n = 2 resistive wall mode

Abstract DIII-D experiments demonstrate simultaneous stability measurements and control of resistive wall modes (RWMs) with toroidal mode numbers n = 1 and n = 2. RWMs with n > 1 are sometimes observed on DIII-D following the successful feedback stabilization of the n = 1 mode, motivating the development of multi- n control. A new model-based multi-mode feedback algorithm based on the VALEN physics code has been implemented on the DIII-D tokamak using a real-time GPU installed directly into the DIII-D plasma control system. In addition to stabilizing RWMs, the feedback seeks to control the stable plasma error field response, enabling compensation of the typically unaddressed DIII-D n = 2 error field component. Experiments recently demonstrated this algorithm’s ability to simultaneously control n = 1 and n = 2 perturbed fields for the first time in a tokamak, using reactor relevant external coils. Control was maintained for hundreds of wall-times above the n = 1 no-wall pressure limit and approaching the n = 1 and n = 2 ideal-wall limits. Furthermore, a rotating non-zero target was set for the feedback, allowing stability to be assessed by monitoring the rotating plasma response (PR) while maintaining control. This novel technique can be viewed as a closed-loop extension of active MHD spectroscopy, which has been used to validate stability models through comparisons of the PR to applied, open-loop perturbations. The closed-loop response measurements are consistent with open-loop MHD spectroscopy data over a wide range of β N approaching the n = 1 ideal-wall limit. These PR measurements were then fit to produce both VALEN and single-mode stability models. These models allowed for important plasma stability information to be determined and have been shown to agree with experimentally observed RWM growth rates.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Mixed Ionic Electronic Conducting Quaternary Perovskites: Materials by Design for Solar Thermochemical Hydrogen

The innovative research conducted by Arizona State University and Princeton University in the project "Mixed Ionic-Electronic Conducting Quaternary Perovskites: Materials by Design for Solar Thermochemical Hydrogen" marks a significant stride forward in thermochemical water splitting. Through an intricate blend of computational design and experimental validation, the project delved into the promising potential of Mixed Ionic Electronic Conducting (MIEC) perovskites. These complex materials, characterized by their unique redox-active nature and adaptability in stoichiometry, present a promising frontier for efficient solar thermochemical hydrogen production. Firstly, the research enhanced the science by utilizing state-of-the-art computational methodologies to unravel the nuanced chemical potentials of MIEC perovskites. By simulating various off-stoichiometric scenarios and redox conditions, the team was able to predict material behaviors under diverse environmental conditions, a feat unachievable through conventional experimental methodologies alone. This approach not only fast-tracks the material screening process, significantly reducing the time from laboratory re-search to practical application, but also uncovers trends and correlations that are pivotal for future materials innovation. Regarding technical effectiveness, the project stands out in its economic feasibility. Traditional methods of materials discovery are often marred by high costs and extensive timeframes, owing to the iterative nature of experimental processes. However, by employing theoretical computations and validating these findings with targeted experiments, the project introduced a cost-effective paradigm for materials discovery and the first ever prediction, synthesis, and preliminary validation of a material solely from computational and theoretical considerations. This synergy between computation and experimentation expedites the discovery of optimal materials conducive to high-efficiency solar-to-hydrogen conversion processes. Furthermore, the public stands to benefit substantially from this research. The success of MIEC perovskites in solar thermochemical applications heralds a shift towards lower cost and lower electricity input for clean hydrogen production, hence potentially impacting climate and energy resilience. By improving the efficiency of solar-to-hydrogen conversions, the research paves the way for reduced dependency on fossil fuels, addressing the urgent global need for accessible and renewable energy sources. Moreover, the project's advancements contribute to scientific literacy in renewable energy technologies, empowering society through knowledge and spurring future innovations. In essence, this research project demonstrates significant progress in the realm of advanced water splitting through solar thermochemistry. Through its groundbreaking approaches in computational materials science and its implications for real-world applications, it holds the promise of a cleaner, more energy-resilient future.

08 HYDROGEN↗
DOE OSTI2024

A High-Field Polarized 3 He Target for Jefferson Lab’s CLAS12 Spectrometer

Polarized 3He nuclear targets are invaluable surrogates for polarized neutron targets in spin-dependent scattering studies of the structure of matter. Traditional polarized 3He targets have seen steady improvements and active use over the last three decades, however they have been limited to operation in low magnetic fields. This has precluded their use in spectrometers that utilize high-magnetic-field tracking systems, such as Jefferson Lab's CLAS12 spectrometer. Developments in high-magnetic-field metastability exchange optical pumping of 3He, recently incorporated into the design of a polarized 3He ion source for RHIC and the EIC, could enable a new, polarized 3He fixed target to operate within high fields. Combining high-field techniques with the double-cell cryogenic target design used for the MIT-Bates 88-02 experiment, polarization and target density comparable to traditional polarized 3He targets could be reached while within a high magnetic field environment. We discuss the conceptual design for such a target, show our progress in this target's development, and outline plans for in-beams tests in Jefferson Lab's Hall B.

Maxwell, James↗
DOE OSTI2025

Role of the Mobile Active Site Flap in IMP Dehydrogenase Inhibitor Binding

Inosine 5′-monophosphate dehydrogenase (IMPDH) is a promising antibiotic target. This enzyme catalyzes the NAD-dependent oxidation of inosine 5′-monophosphate (IMP) to xanthosine 5′-monophosphate (XMP), which is the rate-limiting step in guanine nucleotide biosynthesis. Bacterial IMPDH-specific inhibitors have been developed that bind to the NAD + site. These inhibitors display varied affinities to different bacterial IMPDHs that are not easily rationalized by X-ray crystal structures of enzyme–inhibitor complexes. Inspection of X-ray crystal structures of 25 enzyme–inhibitor complexes, including 10 newly described, suggested that a mobile active site flap may be a structural determinant of inhibitor potency. Saturation transfer difference NMR experiments also suggested that the flap may contact the inhibitors to varying extents in different IMPDHs. Flap residue Leu413 contacted some inhibitors but was not structured in the crystal structures of other inhibitor complexes. The substitution of Leu413 with Phe or Ala in Bacillus anthracis IMPDH had inhibitor-selective effects, suggesting residue 413 could be a structural determinant of affinity. Curiously, the Ala substitution increased the potency of most inhibitors, even those that contacted Leu413 in the crystal structures. Presteady-state and steady-state kinetics experiments showed that the Leu413Ala substitution had comparable effects on inhibitor binding to the noncovalent E·IMP complex and the covalent intermediate E-XMP*, suggesting that the flap had similar interactions in both complexes. These results demonstrate that contacts do not necessarily indicate favorable interactions, and poorly structured mobile regions should not be discounted when assessing binding determinants.

Conformation↗
DOE OSTI2020

Mining a human transcriptome database for chemical modulators of NRF2

Nuclear factor erythroid-2 related factor 2 (NRF2) encoded by the NFE2L2 gene is a transcription factor critical for protecting cells from chemically-induced oxidative stress. We developed computational procedures to identify chemical modulators of NRF2 in a large database of human microarray data. A gene expression biomarker was built from statistically-filtered gene lists derived from microarray experiments in primary human hepatocytes and cancer cell lines exposed to NRF2-activating chemicals (oltipraz, sulforaphane, CDDOIm) or in which the NRF2 suppressor Keap1 was knocked down by siRNA. Directionally consistent biomarker genes were further filtered for those dependent on NRF2 using a microarray dataset from cells after NFE2L2 siRNA knockdown. The resulting 143-gene biomarker was evaluated as a predictive tool using the correlation-based Running Fisher algorithm. Using 59 gene expression comparisons from chemically-treated cells with known NRF2 activating potential, the biomarker gave a balanced accuracy of 93%. The biomarker was comprised of many well-known NRF2 target genes (AKR1B10, AKR1C1, NQO1, TXNRD1, SRXN1, GCLC, GCLM), 69% of which were found to be bound directly by NRF2 using ChIP-Seq. NRF2 activity was assessed across ~9840 microarray comparisons from ~1460 studies examining the effects of ~2260 chemicals in human cell lines. A total of 260 and 43 chemicals were found to activate or suppress NRF2, respectively, most of which have not been previously reported to modulate NRF2 activity. Using a NRF2-responsive reporter gene in HepG2 cells, we confirmed the activity of a set of chemicals predicted using the biomarker. The biomarker will be useful for future gene expression screening studies of environmentally-relevant chemicals.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Mechanism of the Comonomer Effect in LLDPE from Ethylene/1-Hexene Using a Quinoline-Amine Hafnium Catalyst

Polymers of ethylene and copolymers of ethylene and 1-hexene are synthesized by utilizing a single-site hafnium catalyst activated with tris(pentafluorophenyl)borane. Polymer production increases sharply as compared to the homopolymerization of ethylene with the addition of just a small amount of 1-hexene-a phenomenon known as the "comonomer effect." A mechanism behind the comonomer effect is proposed where the activation-initiation step plays the key part. When only a small fraction of the precatalyst is initially active, high molecular weight (170 000 g mol -1 , Đ 1.6) polymer chains grow, forming a physical gel structure that traps catalyst, monomer, and solvent molecules, thereby shutting down the reaction-this scenario plays out in the case of homopolymerization of ethylene. 1-Hexene, when present, slows down the chain growth, thereby lowering the molecular weight and preventing the formation of a gel, which in turn allows for more catalytic sites to be initiated; the reaction continues, resulting in a larger amount of polymer of lower molecular weight (25 000 g mol -1 ). The proposed mechanism is validated in a series of experiments where targeted variation of the activation/initiation steps is shown to produce, depending on the condition, either a small amount of high molecular weight physical gel or a large amount of low molecular weight polymer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

First Measurement of Inclusive Muon Neutrino Charged Current Triple Differential Cross Section on Argon

The field of accelerator neutrino experiments is entering an era of precision oscillation measurements where the remaining unknown neutrino measurements will be determined. The upcoming DUNE and Hyper-K experiments aim to determine the neutrino mass hierarchy and degree of Charge-Parity (CP) violation in the neutrino sector, providing potential insight on the matter-antimatter imbalance observed in the universe. However, these experiments require highly accurate measurements, and neutrino cross section modeling uncertainties may limit their capabilities. Cross section measurements at current- generation experiments can aid the development of neutrino interaction models to reduce these uncertainties. This is especially true for measurements of neutrino energy, as it drives neutrino oscillations and is of key importance to oscillation experiments. The MicroBooNE experiment uses a Liquid Argon Time Projection Chamber (LArTPC) to produce neutrino-argon cross sections as one of its physics goals. The MicroBooNE detector’s fully active volume, precision reconstruction, and calorimetry information are leveraged in the Wire-Cell analysis to produce a muon neutrino selection that is 92% pure while maintaining 68% efficiency. A reconstruction chain featuring a fully 3D charge reconstruction and a graph-based particle trajectory fit are used to produce accurate measurements of lepton kinematics as well as visible hadronic energy produced in a neutrino interaction. This thesis presents the first neutrino-argon triple-differential cross section measurement, targeting inclusive charged-current final states. Wiener SVD unfolding is used to produce a measurement over neutrino energy, muon momentum, and muon scattering angle. A series of constrained goodness of fit tests are used to demonstrate the validity of MicroBooNE’s model in describing the distribution of reconstructed kinematics seen in data to ensure the accuracy of unfolding. The validated unfolding to neutrino energy represents a step forward in the field of neutrino cross sections, and demonstrates the capabilities of the LArTPC detector.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Description of FY25 Theory and Simulation Performance Target: Development of an integrated modeling framework for fusion reactor design and assessment

The urgency to deliver fusion power is growing now more than ever, with increasing pressure for both public programs and private companies to meet milestones timelines and overcome significant remaining technical challenges to ensure growth of a nascent fusion industry in time to meet rapidly growing clean energy demands. With incredible advancements in computation and years of investment in fusion model development and validation, integrated modeling is poised to fill a key role in accelerating the timeline to a fusion pilot plant (FPP). Future fusion pilot plants will operate in regimes far beyond current experience, and device design will rely on physics-based prediction and extrapolation. Many concepts will also rely on simulation to assess safety (shielding, tritium management, materials activation and lifetimes), economics and scalability before the decision to build. Importantly, integrated simulation can be used to reveal and solve the complexities of system integration that may otherwise not be apparent in physical components or models developed in isolation. New experimental test facilities that produce relevant conditions to validate and resolve key technical challenges for various subsystems (materials, blankets, fuel cycle, etc.) have been repeatedly called for by the fusion community but are not yet realized. Integrated modeling has an important role in identifying realistic load conditions (thermal, electromagnetic, plasma, neutron and photon loads, etc.) and defining the components and experiments for these test facilities in order to ensure meaningful validation that sufficiently reduces modeling uncertainties and technical risk for the full integrated reactor. The Fusion REactor Design and Assessment (FREDA) SciDAC project is building a component-based integrated modeling framework & data structure to enable self-consistent, multi-fidelity, iterative optimization workflows for the fusion reactor design process. FREDA aims to shorten the time to viable designs by providing a set of flexible workflows to support the various stages of the design process using an integrated model hierarchy, ranging from the simple analytic descriptions to the highest fidelity, theory-based plasma and engineering modeling developed by the fusion and fission communities. These tools are expected to be needed for timely support of FPP design in the milestone program and in the FIRE collaboratives. The plasma simulation backbone of FREDA is IPS-FASTRAN with newly developed coupled Core-Edge Pedestal-SOL (CESOL) workflows, which is being extended to the far-SOL region up to the plasma facing components. FREDA incorporates the FERMI engineering modeling suite and will enable self-consistent evaluation of the thermal shields, limiters, blanket, magnets, and other surrounding structures with predictions of temperatures, erosion, dpa, activation, tritium generation and transport, creep, corrosion, material degradation, etc. Parametric generation of 3D CAD enables rapid iteration of component geometry in response to plasma and loading specifications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Data, figures, animations, and scripts associated with the manuscript "Integrated Effects of Site Hydrology and Vegetation on Exchange Fluxes and Carbon Cycling at the Coastal Terrestrial Aquatic Interface"

This package contains the data, figures, animations, and scripts used in "Integrated Effects of Site Hydrology and Vegetation on Exchange Fluxes and Carbon Cycling at the Coastal Terrestrial Aquatic Interface" (Li et al., 2023). This study examines the interactions between soil, vegetation and hydrologic conditions in coastal areas, with a focus on the Chesapeake Bay region. The researchers used a mechanistic model called ATS-PFLOTRAN to explore how these interactions affect exchange process in different regions and the carbon/nitrogen cycle across the terrestrial-aquatic interface (TAI). Simulation scenarios isolate the effects of control factors and reaction constants derived from laboratory experiments. The results show a carbon cycle "hot zone" in coastal wetlands and in the transition zone between wetlands and uplands. Transpiration enhances fluxes between the surface and subsurface domains and increases dissolved oxygen in TAI. The decomposition of leaf-derived organic carbon provides an additional source of carbon for aerobic respiration and denitrification in the TAI. Microbial activity plays a key role in controlling redox conditions and their variability. This modeling study improves the understanding of complex TAI interactions and facilitates the representation of coastal ecosystems in larger-scale Earth system models.Several files can be found from this data package.1. Readme,md: This file describe the Title, Target Journal, Target submission date, Co-author, Science Questions, Hypotheses, Key words, Key message, Model and Data, Repo Structure. The user can read this file first and then go to details.2. mesh.zip: This file contains the mesh file for simulation cases. 3. Figure.zip: This file contains figures used in the manuscript . 4. animation.zip: This file contains animations used in the manuscript . 5. Data.zip: This file contains all required input data, such as concentration and flow boundaries. Also, it contains the DEM and processes results on area fraction. 6. Simulation_setup_and_results.zip: This file contains setup of cases used in the manuscript . The result files are too large, if you need that data, please contact to the Author. 7. notebooks.zip: This file contains the Jupyter notebooks for performing sensitivity analysis and other pre-process and post-process analyses.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Super-relaxed myosins contribute to respiratory muscle hibernation in mechanically ventilated patients

Patients receiving mechanical ventilation in the intensive care unit (ICU) frequently develop contractile weakness of the diaphragm. Consequently, they may experience difficulty weaning from mechanical ventilation, which increases mortality and poses a high economic burden. Because of a lack of knowledge regarding the molecular changes in the diaphragm, no treatment is currently available to improve diaphragm contractility. We compared diaphragm biopsies from ventilated ICU patients (N= 54) to those of non-ICU patients undergoing thoracic surgery (N= 27). By integrating data from myofiber force measurements, x-ray diffraction experiments, and biochemical assays with clinical data, we found that in myofibers isolated from the diaphragm of ventilated ICU patients, myosin is trapped in an energy-sparing, super-relaxed state, which impairs the binding of myosin to actin during diaphragm contraction. Studies on quadriceps biopsies of ICU patients and on the diaphragm of previously healthy mechanically ventilated rats suggested that the super-relaxed myosins are specific to the diaphragm and not a result of critical illness. Exposing slow- and fast-twitch myofibers isolated from the diaphragm biopsies to small-molecule compounds activating troponin restored contractile force in vitro. These findings support the continued development of drugs that target sarcomere proteins to increase the calcium sensitivity of myofibers for the treatment of ICU-acquired diaphragm weakness.

Cell Biology↗
DOE OSTI2023

Inhibition of the C1s Protease and the Classical Complement Pathway by 6-(4-Phenylpiperazin-1-yl)Pyridine-3-Carboximidamide and Chemical Analogs

Abstract The classical pathway (CP) is a potent mechanism for initiating complement activity and is a driver of pathology in many complement-mediated diseases. The CP is initiated via activation of complement component C1, which consists of the pattern recognition molecule C1q bound to a tetrameric assembly of proteases C1r and C1s. Enzymatically active C1s provides the catalytic basis for cleavage of the downstream CP components, C4 and C2, and is therefore an attractive target for therapeutic intervention in CP-driven diseases. Although an anti-C1s mAb has been Food and Drug Administration approved, identifying small-molecule C1s inhibitors remains a priority. In this study, we describe 6-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide (A1) as a selective, competitive inhibitor of C1s. A1 was identified through a virtual screen for small molecules that interact with the C1s substrate recognition site. Subsequent functional studies revealed that A1 dose-dependently inhibits CP activation by heparin-induced immune complexes, CP-driven lysis of Ab-sensitized sheep erythrocytes, CP activation in a pathway-specific ELISA, and cleavage of C2 by C1s. Biochemical experiments demonstrated that A1 binds directly to C1s with a K d of ∼9.8 μM and competitively inhibits its activity with an inhibition constant (K i) of ∼5.8 μM. A 1.8-Å-resolution crystal structure revealed the physical basis for C1s inhibition by A1 and provided information on the structure–activity relationship of the A1 scaffold, which was supported by evaluating a panel of A1 analogs. Taken together, our work identifies A1 as a new class of small-molecule C1s inhibitor and lays the foundation for development of increasingly potent and selective A1 analogs for both research and therapeutic purposes.

Immunology↗
DOE OSTI2025

NUMI Flux Systematic Uncertainties

The Imaging Cosmic And Rare Underground Signals (ICARUS) detector is a 476 t active liquid argon time projection chamber neutrino detector at Fermilab. ICARUS lies 795 m downstream and 5.75◦ off-axis from the Neutrinos at the Main Injector (NuMI) beam. To create a neutrino beam NuMI directs pulsed beam of 120 GeV protons onto a graphite target to create hadrons, which are then focused by magnetic horns and allowed to decay into neutrinos. At the ICARUS off-axis angle the neutrino flux originates from the decays of unfocused/antifocused pions decays and from high-transverse momentum kaon decays. These contributions allow ICARUS to observe a significant flux of (anti-)electron and (anti-)muon neutrinos in a kinematic region relevant to the upcoming DUNE experiment. These factors also introduce various model uncertainties that have not been studied in detail by existing on-axis experiments. This poster will explore the systematic uncertainties in the NuMI flux at ICARUS that arise from uncertainties on hadron interaction cross sections and beamline operation conditions.

Alrahman, Fatima Abd [Houston U.]↗
DOE OSTI2023

A modERN resource: identification of Drosophila transcription factor candidate target genes using RNAi

Transcription factors (TFs) play a key role in development and in cellular responses to the environment by activating or repressing the transcription of target genes in precise spatial and temporal patterns. In order to develop a catalog of target genes of Drosophila melanogaster TFs, the modERN consortium systematically knocked down the expression of TFs using RNAi in whole embryos followed by RNA-seq. We generated data for 45 TFs which have 18 different DNA-binding domains and are expressed in 15 of the 16 organ systems. The range of inactivation of the targeted TFs by RNAi ranged from log2fold change -3.52 to +0.49. The TFs also showed remarkable heterogeneity in the numbers of candidate target genes identified, with some generating thousands of candidates and others only tens. We present detailed analysis from five experiments, including those for three TFs that have been the focus of previous functional studies (ERR, sens, and zfh2) and two previously uncharacterized TFs (sens-2 and CG32006), as well as short vignettes for selected additional experiments to illustrate the utility of this resource. The RNA-seq datasets are available through the ENCODE DCC (http://encodeproject.org) and the Sequence Read Archive (SRA). TF and target gene expression patterns can be found here: https://insitu.fruitfly.org. These studies provide data that facilitate scientific inquiries into the functions of individual TFs in key developmental, metabolic, defensive, and homeostatic regulatory pathways, as well as provide a broader perspective on how individual TFs work together in local networks during embryogenesis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Controlling Structural, Electronic, and Energy Flow Dynamics of Catalytic Processes through Tailored Nanostructures

MoS 2 (molybdenum disulfide) is a highly-versatile catalyst material for support of numerous reactions from hydrodesulfurization and denitrogenation to the focus of this renewal proposal: hydrogenation of CO/CO 2 towards (higher) alcohols. At the same time, MoS 2 is a non-toxic, environmentally-benign and rather inert material- which under ambient conditions for some time has served as a lubricant and, more recently, as next-generation electronic material. The apparent contrast between inertness and stability in ambient, and catalytic activity under reactive conditions is puzzling and calls for a synergistic theoretical and experimental investigation with the long-term objective of enabling the rational design of MoS 2 -based catalysts for alcohol-formation reactions by providing a microscopic understanding of the environmental factors that determines site activity and selectivity. Our research project seeks answers to the questions (a) what conformation does MoS 2 adopt under reaction conditions (as opposed to that under ultrahigh vacuum and low temperatures)?; (b) what reaction pathways exist on such a material?; (c) how can the local environment of the active sites be manipulated so as to make MoS 2 an efficient catalyst for production of higher alcohol from syngas? In particular, research strategies will explore how the basal plane composed of sulfur atoms can be activated so as to exhibit a reactivity of its own, by addressing three research targets and building on extensive preliminary and enabling work: (1) vacancies and vacancy aggregates on the basal plane; (2) non-local catalyst transformation through alkali doping, hydrogenation and phase transition; (3) fabrication of a metal-nanoparticle-activated MoS 2 system, in which particle anchoring, reactive sites and pathways as well as selectivity are controlled by design, as an example of predictive development of a catalyst material,. All strategies are directed to improve the efficacy of the key reactive sites and selectivity of chemical pathways by design, to replace the inefficient methodology of trial and error in catalyst development. This research project represents a synergistic combination of computational guidance, foundational surface-science-based experiments and validation under reactive conditions that aims at transformative new insights into the working of MoS 2 -based hydrogenation-catalysts, a topic squarely at the center of the interest of DOE BES. Guided and led by Talat Rahman, a computational physicist, this project will apply density functional theory to understand structure, reaction pathways and chemical potentials associated with MoS 2 -based CO/CO 2 hydrogenation, augmented by kinetic Monte Carlo methods for reaction rates and prefactors as well as ab-initio molecular dynamics for evaluation of thermal stability. Complementary experimental input and validation will originate from co-PI Ludwig Bartels, a physical chemist and materials scientist, whose group focuses on local imaging and preparation of MoS 2 materials, from co-PI Peter Dowben, an experimental physicist, whose group is expert in the spectroscopy of occupied and unoccupied electronic states, and from senior collaborator Michael White of Brookhaven National Laboratory, whose group generates high-resolution electronic and activity information on size-selected well-defined metal chalcogenide clusters. This collaborative effort will enable a comprehensive understanding of the correlation of structural integrity and catalytic activity of MoS 2 in forms ranging from extended films to individual particles with known geometries and binding sites. Alcohol formation from syngas is a rapidly emerging application that has great potential through facile, economic, and decentralized biomass gasification. CO 2 activation is one of the most pressing concerns of our time: increasing CO 2 levels in the atmosphere change the climate and expose the globe to environmental transformations with the potential for enormous economic and societal impact. We will investigate CO/CO 2 hydrogenation via an interdisciplinary research collaboration with established synergy – one that, in accordance with the mission of the DOE, involves accredited Hispanic-Serving Institutions and that, through student exchange with international collaborators and National Labs, will directly benefit a broad spectrum of communities and generate human resources in sciences essential to their future.

2D materials↗
DOE OSTI2023

National Solar Jobs Accelerator (Final Technical Report (FTR))

The aptitudes and experiences gained through military service—such as dynamic leadership, teamwork and critical thinking skills, technical specialization, and a mission-completion work ethic—make veterans exceptional candidates for a wide range of solar energy careers. The solar industry offers a highly collaborative and purpose-driven work environment that resonates with service members and veterans looking to rise to their next challenge, and solar employers are eager to tap into this valuable talent pool. From October 2019 - February 2023, The National Solar Jobs Accelerator (publicly the Solar Ready Vets Network TM (SRV Network; SRVN)) enhanced and streamlined options for military service members and veterans to pursue solar training, certification, and employment, while advancing solar employers’ efforts and capacity to invest in military talent as part of a long-term workforce development strategy. The SRVN was led by the Interstate Renewable Energy Council (IREC) in partnership with the Solar Energy Industries Association (SEIA), the US Chamber of Commerce Foundation’s Hiring Our Heroes program (HOH) and the North American Board of Certified Energy Practitioners (NABCEP). Through several direct-impact and indirect, high-impact capacity building initiatives aligned with six key objectives, the SRV Network strengthened solar career pathways, and promoted increased representation of military talent across all levels and sectors of the solar workforce. A work-based learning Corporate Fellowship model connected transitioning service members with on-the-job experience in leadership roles with solar employers nationwide. The project advanced broader veteran recruitment and talent development by expanding GI Bill eligibility and streamlining veterans’ pathways for solar training and credentialing, supported direct connections to jobs with top solar employers, and led coordination among key education and industry partners to advance registered apprenticeships aligned with solar career pathways. To ensure that the project best served the needs of all stakeholders, an Advisory Committee of military-connected solar professionals, solar employers, and training providers met biannually to guide project activities and sustainability plans. The project team engaged the broader “SRV Network” (comprised of over 2,000 veterans, employers and training organizations) through regular newsletters and targeted outreach to share resources, hiring fairs, webinars, and other opportunities for engagement. The work done under this award builds on the previous iterations of the Department of Energy’s Solar Ready Vets ® program. As the solar industry continues to grow rapidly over the next decade, the military community will continue to be a highly valuable source of talent. The relationships established and work accomplished through this project will have an enduring positive impact well beyond the funding period.

14 SOLAR ENERGY↗