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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 OSTI2022

Route Optimization for Energy Efficient Airport Shuttle Operations - A Case Study from Dallas Fort Worth International Airport

Air travel and requisite surface traffic supporting passenger arrival/departure constitutes a significant portion of travel and emissions in cities with large airports. An airport trip can segment into three parts namely: i) travel from a location in the city to the airport; ii) travel from a parking lot or rental car center to the terminal (i.e., within the airport premises), and iii) travel inside the terminal. Depending on the airport access mode all or a part of these legs comprise a traveler’s journey to the airport. The priority of airport ground transport management teams is to provide passengers with a seamless travel experience within the airport, so it is understandable that within airport shuttle routes might not be optimized for minimizing energy consumption. Solutions that meet the dual objective of reducing energy consumption from airport shuttle operations without compromising on passenger travel experience are key to improving system efficiency. There is currently a dearth of research and tools that can inform airports in making such decisions. Addressing this need, this research effort puts forth an optimization model that generates optimal shuttle routes for a given set of constraints, and a discrete-event simulator that evaluates the optimal solutions in a stochastic environment to understand the tradeoffs between passenger wait times, and within airport shuttle energy consumption. The proposed set of tools are tested in the context of optimizing airport shuttles routes within the Dallas Fort Worth International Airport (DFW). In addition to shuttle spatial positioning, and passenger demand information, high-fidelity vehicle data was collected using data loggers installed on DFW shuttles. Results show that 20% energy reduction in shuttle operations is possible with a modest two-minute increase in average passenger wait times. The tools developed in this research effort are designed to be generalizable and can help optimize shuttle operations planning at any major airport.

air travel↗
DOE OSTI2019

Alternative outlets for sustaining photosynthetic electron transport during dark-to-light transitions

Environmental stresses dramatically impact the balance between the production of photosynthetically derived energetic electrons and Calvin–Benson–Bassham cycle (CBBC) activity; an imbalance promotes accumulation of reactive oxygen species and causes cell damage. Hence, photosynthetic organisms have developed several strategies to route electrons toward alternative outlets that allow for storage or harmless dissipation of their energy. In this work, we explore the activities of three essential outlets associated with Chlamydomonas reinhardtii photosynthetic electron transport: (i) reduction of O 2 to H 2 O through flavodiiron proteins (FLVs) and (ii) plastid terminal oxidases (PTOX) and (iii) the synthesis of starch. Real-time measurements of O 2 exchange have demonstrated that FLVs immediately engage during dark-to-light transitions, allowing electron transport when the CBBC is not fully activated. Under these conditions, we quantified maximal FLV activity and its overall capacity to direct photosynthetic electrons toward O 2 reduction. However, when starch synthesis is compromised, a greater proportion of the electrons is directed toward O 2 reduction through both the FLVs and PTOX, suggesting an important role for starch synthesis in priming/regulating CBBC and electron transport. Moreover, partitioning energized electrons between sustainable (starch; energetic electrons are recaptured) and nonsustainable (H 2 O; energetic electrons are not recaptured) outlets is part of the energy management strategy of photosynthetic organisms that allows them to cope with the fluctuating conditions encountered in nature. Finally, unmasking the repertoire and control of such energetic reactions offers new directions for rational redesign and optimization of photosynthesis to satisfy global demands for food and other resources.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Novel small molecule FGF 23 inhibitors increase serum phosphate and improve skeletal abnormalities in Hyp mice

We report that excess fibroblast growth factor 23 (FGF23) causes hereditary hypophosphatemic rickets, such as X-linked hypophosphatemia (XLH) and tumor induced osteomalacia (TIO). A small molecule that specifically binds to FGF23 to prevent activation of the FGFR/a-Klotho complex has potential advantages over the currently approved systemically administered FGF23 blocking antibody. Using structure-based drug design we previously identified ZINC13407541 (N-[[2-(2-phenylethenyl)cyclopenten-1-yl]methylidene]hydroxylamine) as a small molecule antagonist for FGF23. Additional structure-activity studies developed a series of ZINC13407541 analogues with enhanced drug-like properties. In this study, we tested in a pre-clinical Hyp mouse homologue of XLH a direct connect analogue (8n) [(E)-2-(4-(tert-butyl)phenyl)cyclopent-1-ene-1-carbaldehyde oxime] that exhibited the greatest stability in microsomal assays, and 13a [(E)-2-((E)-4-methylstyryl)benzaldehyde oxime] that exhibited increased in vitro potency. Using cryo-electron microscopy (Cryo-EM) structure and computational docking, we identified a key binding residue (Q156) of the FGF23 antagonists, ZINC13407541 and its analogues (8n and 13a) in the N-terminal domain of FGF23 protein. Site-directed mutagenesis and bimolecular fluorescence complementation (BiFC)-fluorescence resonance energy transfer (FRET) assay confirmed the binding site of these three antagonists. We found that pharmacological inhibition of FGF23 with either of these compounds blocked FGF23 signaling and increased serum phosphate and 1,25(OH)2D concentrations in Hyp mice. Long-term parenteral treatment with 8n or 13a also enhanced linear bone growth, increased mineralization of bone, and narrowed the growth plate in Hyp mice. The more potent 13a compound had greater therapeutic effects in Hyp mice. Further optimization of these FGF23 inhibitors may lead to versatile drugs to treat excess FGF23-mediated disorders.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Where Have All of the Electrons Gone? Understanding the Role of Alternative Electron Flow and O 2 Reduction in Balancing Cellular Redox (Final Technical Report)

An informed understanding of the fundamentals of light-driven electron transfer reactions in photoautotrophic organisms is necessary to enable improved photosynthetic efficiencies for the production of renewable fuels and novel biomaterials. To obtain high photosynthetic yields, light energy must be efficiently coupled to the fixation of CO 2 . Sub-optimal environmental conditions and metabolic routing (caused by blocks in biosynthetic routes) can severely impact the conversion of light energy to biomass and lead to reactive oxygen production, which in turn can cause cellular damage and productivity losses. Hence, plants, algae, and photosynthetic bacteria have evolved a network of alternative outlets to sustain the flow of photosynthetically derived-electrons. Our research was focused on the nature and integration of these outlets. The data obtained in this project will inform efforts to rationally engineer crop plants and algae to improve photosynthetic yields by enhancing electron transfer reactions to CO 2 reduction and targeted biomass accumulation. A major project research thrust was focused on identifying and quantifying the flow of photosynthetic reductant through electron transfer circuits that result in the light-dependent reduction of O 2 . New energy management strategies were identified that are used when normal carbon assimilation pathways are compromised due to nutrient deprivation, and/or by a reduction in starch synthesis/carbon storage, all conditions resulting in highly reduced intracellular redox pools. The green alga Chlamydomonas reinhardtii, and likely many other algae, have multiple O 2 -reducing pathways that play critical roles in maintaining cellular metabolic balance and scavenging electrons that could potentially cause cellular damage, which in some instances leads to reduced photosynthetic yields but increased fitness. We explored the activities of three essential outlets associated with Chlamydomonas reinhardtii photosynthetic electron transport: (1) reduction of O 2 to H 2 O through Flavodiiron proteins (FLVs) and (2) Plastid Terminal Oxidases (PTOX), and (3) the synthesis of starch. Real-time measurements of O 2 exchange demonstrated that FLVs immediately engage during dark to light transitions, allowing electron transport when the CBBC is not fully activated. Under these conditions, we quantified, for the first time, maximal FLV activity and its overall capacity to direct photosynthetic electrons towards O 2 reduction. However, when starch synthesis is compromised, a greater proportion of electrons is directed toward O 2 reduction through the FLVs, while PTOX, which is sensitive to the PQ pool redox state, is activated. This suggests, that starch synthesis has an important role in priming/regulating CBBC and electron transport. We also identified a biological ‘switch’ in the green alga Chlamydomonas reinhardtii that reversibly restricts photosynthetic electron transport (PET) at the cytochrome b 6 f complex when reductant and ATP generated by PET are in excess of the capacity of carbon metabolism to utilize these products; we specifically show a restriction at this switch when sta6 mutant cells, which cannot synthesize starch, are limited for nitrogen (growth inhibition) and subjected to a dark to light transition. This restriction causes diminished electron flow to PSI, which prevents PSI photodamage, and the plastid alternative oxidase (PTOX) becomes fully activated, serving as an electron valve that dissipates excitation energy absorbed by PSII, thereby lessening PSII photoinhibition. Furthermore, illumination of the cells following the dark acclimation gradually diminishes the restriction at the switch. Future engineering of these switches may allow more effective electron transfer to lipid (biofuel) pathways and diminish the number of electrons “wasted” in the reduction of O 2 to water. Lastly, we explored metabolic routing of electrons during algal fermentation and discovered multiple novel pathways that are activated when the preferred anoxic routes are blocked. These provide valuable products (e.g. lactate, glycerol) that can be used in broad portfolio of biotechnological applications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

A tri-level optimization model for interdependent infrastructure network resilience against compound hazard events

Resilient operation of interdependent infrastructures against compound hazard events is essential for maintaining societal well-being. To address consequence assessment challenges in this problem space, we propose a novel policy-guided tri-level optimization model applied to a proof-of-concept case study with fuel distribution and transportation networks – encompassing one realistic network; one fictitious, yet realistic network; as well as networks drawn from three synthetic distributions. Mathematically, our approach takes the form of a defender-attacker-defender (DAD) model—a multi-agent tri-level optimization, comprised of a defender, attacker, and an operator acting in sequence. Here, in this study, our notional operator may choose proxy actions to operate an interdependent system comprised of fuel terminals and gas stations (functioning as supplies) and a transportation network with traffic flow (functioning as demand) to minimize unmet demand at gas stations. A notional attacker aims to hypothetically disrupt normal operations by reducing supply at the supply terminals, and the notional defender aims to identify best proxy defense policy options which include hardening supply terminals or allowing alternative distribution methods such as trucking reserve supplies. We solve our DAD formulation at a metropolitan scale and present practical defense policy insights against hypothetical compound hazards. We demonstrate the generalizability of our framework by presenting results for a realistic network; a fictitious, yet realistic network; as well as for three networks drawn from synthetic distributions. Additionally, we demonstrate the scalability of the framework by investigating runtime performance as a function of the network size. Steps for future research are also discussed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Center for Tokamak Transients Simulations

The major goals for the Center for Tokamak Transients Simulations (CTTS) were to develop detailed numerical simulations of disruptive transients in tokamak experiments and to use them in theoretical studies of the thermal-quench (TQ) and current-quench (CQ) phases of disruption. The University of Wisconsin-Madison component of CTTS contributed relevant development for the NIMROD code (https://nimrodteam.org) and applied it to disruptions that involve global vertical displacement. Code-development contributions include boundary conditions that represent sheath effects which occur when tokamak plasma is in contact with the surrounding vessel wall during vertical displacement events (VDEs). We also implemented a reduced model of energetic runaway electrons (REs) to simulate the effect of these energetic electrons on the CQ phase of tokamak disruptions. Our computations of VDEs include 2D and 3D verification through benchmarks with two other widely used macroscale plasma simulation codes, M3D-C1 and JOREK. Over nonlinear evolution to the final termination of plasma current, the 2D simulation results on magnetic axis location, toroidal current, and halo current track each other well. With the 3D benchmark computation, all three codes found the same qualitative behavior of the asymmetric instabilities having increasing growth rate after contact with the wall, followed by nonlinear excitation of other toroidal harmonics. Our NIMROD computations for an idealized configuration show agreement with an analytical assessment by V. D. Pustovitov [Nucl. Fusion 55, 113032 (2015)] that the plasma and non-ideal wall remain in force-balance such that net forces only result from magnetic stresses over the outer surface of the wall. Our study of the influence of boundary conditions on VDEs shows that extended-MHD simulations of VDEs are sensitive to electron energy transport to the wall and that boundary conditions on flow are only significant to the extent that they influence the electron energy transport. Resistive-MHD NIMROD simulations of the tokamak discharges in the Madison Symmetric Torus show that magnetic perturbations of poloidal wavenumber m=3 lead to chaotic magnetic topology over the edge region, which helps deconfine energetic electrons. A second area of RE study shows that the coupled resistive MHD/reduced RE model reproduces the resistive-hose particle-beam instability. With respect to educational opportunities, this effort involved and supported four graduate students at the University of Wisconsin-Madison and one postdoctoral associate. The results of this study have been disseminated through journal publications, conference presentations, technical reports, and PhD dissertations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Structure of LARP7 Protein p65–telomerase RNA Complex in Telomerase Revealed by Cryo-EM and NMR

La-related protein 7 (LARP7) are a family of RNA chaperones that protect the 3'-end of RNA and are components of specific ribonucleoprotein complexes (RNP). Here, in Tetrahymena thermophila telomerase, LARP7 protein p65 together with telomerase reverse transcriptase (TERT) and telomerase RNA (TER) form the core RNP. p65 has four known domains—N-terminal domain (NTD), La motif (LaM), RNA recognition motif 1 (RRM1), and C-terminal xRRM2. To date, only the xRRM2 and LaM and their interactions with TER have been structurally characterized. Conformational dynamics leading to low resolution in cryo-EM density maps have limited our understanding of how full-length p65 specifically recognizes and remodels TER for telomerase assembly. Here, we combined focused classification of Tetrahymena telomerase cryo-EM maps with NMR spectroscopy to determine the structure of p65–TER. Three previously unknown helices are identified, one in the otherwise intrinsically disordered NTD that binds the La module, one that extends RRM1, and another preceding xRRM2, that stabilize p65–TER interactions. The extended La module (αN, LaM and RRM1) interacts with the four 3' terminal U nucleotides, while LaM and αN additionally interact with TER pseudoknot, and LaM with stem 1 and 5' end. Our results reveal the extensive p65–TER interactions that promote TER 3'-end protection, TER folding, and core RNP assembly and stabilization. The structure of full-length p65 with TER also sheds light on the biological roles of genuine La and LARP7 proteins as RNA chaperones and core RNP components.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Node-Accessible Zirconium MOFs

High-stability, zirconium-based metal–organic frameworks are attractive as heterogeneous catalysts and as model supports for uniform arrays of subsequently constructed heterogeneous catalysts—for example, MOF-node-grafted metal–oxy and metal–sulfur clusters. For hexa-Zr(IV)-MOFs characterized by nodes that are less than 12-connected, sites not used for linkers are ideally occupied by reactive and displaceable OH/H 2 O pairs. Here, the desired pairs are ideal for grafting the aforementioned catalytic clusters, while aqua-ligand lability renders them effective for exposing highly Lewis-acidic Zr(IV) sites (catalytic sites) to candidate reactants. New single-crystal X-ray studies of an eight-connected Zr-MOF, NU-1000, reveal that conventional activation fully removes modulator ligands, but replaces them with three node-blocking formate ligands (from solvent decomposition) and only one OH/H 2 O pair, not four—a largely overlooked complication that now appears to be general for Zr-MOFs. Here we describe an alternative activation protocol that effectively removes modulators, avoids formate, and installs the full complement of terminal OH/H 2 O pairs. It does so via an unusual isolatable intermediate featuring eight aqua ligands and four non-ligated chlorides—again as supported by single-crystal X-ray data. We find that complete replacement of node-blocking modulators/formate with the originally envisioned OH/OH 2 pairs has striking consequences; here we touch upon just three. First, elimination of unrecognized formate renders aqua ligands much more thermally labile, enabling open Zr(IV) sites to be obtained at lower temperature. Second, in the absence of formate, which otherwise links and locks pairs of node Zr(IV) ions, reversible removal of aqua ligands engenders reversible contraction of MOF meso- and micropores, as evidenced by X-ray diffraction. Third, formate replacement with OH/OH 2 pairs renders NU-1000 ca.10× more active for catalytic hydrolytic degradation of a representative simulant of G-type chemical warfare agents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

The N-terminal domain of gastrulation brain homeobox 2 (Gbx2) is required for iridophore specification in zebrafish

Highlights: • Iridophore formation is suppressed by gbx2 knockdown in zebrafish. • gbx2 is expressed in neural crest cells and iridophores during development. • gbx2 knockdown leads to apoptosis of neural crest cells. • The N-terminal domain of Gbx2 rescues the phenotype of gbx2 knockdown. Although body color pattern formation by pigment cells plays critical roles in animals, pigment cell specification has not yet been fully elucidated. In zebrafish, there are three chromatophores: melanophore, iridophore, and xanthophore, that are derived from neural crest cells (NCCs). A recent study has reported the differentially expressed genes between melanophores and iridophores. Based on transcriptome data, we identified that Gbx2 is required for iridophore specification during development. In support of this, iridophore formation is suppressed by gbx2 knockdown by morpholino antisense oligonucleotide, at 72 h post fertilization (hpf) in zebrafish. Moreover, gbx2 is expressed in sox10-expressing NCCs and guanine crystal plates-containing iridophores during development at 24 and 48 hpf, respectively. In gbx2 knockdown zebrafish embryos, apoptosis of sox10-expressing NCCs was detected at 24 hpf without any effect on the formation of melanophores and xanthophores at 48 hpf. We further observed that the N-terminal domain of Gbx2 is able to rescue the iridophore formation defect caused by gbx2 knockdown. Our study provides insights into the requirement of N-terminal domain of Gbx2 for iridophore specification in zebrafish.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Spectroscopic Characterization, Computational Investigation, and Comparisons of ECX – (E = As, P, and N; X = S and O) Anions

Three newly-synthesized [Na+(221-kryptofix)] salts containing AsCO–, PCO–, and PCS– anions were successfully electrosprayed into the vacuum, and the ECX– (E = As, P; X = O, S) anions were investigated by negative ion photoelectron spectroscopy (NIPES) and high resolution photoelectron imaging spectroscopy. For each ECX– anion, a well-resolved NIPE spectrum was obtained, in which every major peak is split into a doublet. The splittings are attributed to spin-orbit coupling (SOC) in the ECX• radicals. Vibrational progressions in the NIPE spectra of ECX– were assigned to the symmetric and antisymmetric stretching modes in ECX• radicals. The electron affinities (EAs) and SOC splittings of ECX• are determined from the NIPE spectra to be: AsCO•: EA = 2.414 ± 0.002 eV, SOC splitting = 988 cm-1; PCO•: EA = 2.670 ± 0.005 eV, SOC splitting = 175 cm-1; PCS•: EA = 2.850 ± 0.005 eV, SOC splitting = 300 cm-1. Calculations using the B3LYP, CASPT2, and CCSD(T) methods all predict linear geometries for both the anions and neutral radicals. The calculated EAs and SOC splittings for ECX• are in excellent agreement with the experimentally-measured values. The simulated NIPE spectra, based on the calculated Franck-Condon factors, and SOC splittings nicely reproduce all of the observed spectral peaks, thus allowing unambiguous spectral assignments. The finding that PCS has the greatest EA of the three triatomic molecules considered here is counterintuitive based upon electronegativity considerations, but understandable in terms of the HOMO of PCS– having the greatest degree of delocalization onto both terminal atoms.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2023

The catalytic domains of Streptococcus mutans glucosyltransferases: a structural analysis

Streptococcus mutans, found in the human oral cavity, is a significant contributor to the pathogenesis of dental caries. This bacterium expresses three genetically distinct types of glucosyltransferases named GtfB (GTF-I), GtfC (GTF-SI) and GtfD (GTF-S) that play critical roles in the development of dental plaque. The catalytic domains of GtfB, GtfC and GtfD contain conserved active-site residues for the overall enzymatic activity that relate to hydrolytic glycosidic cleavage of sucrose to glucose and fructose, release of fructose and generation of a glycosyl-enzyme intermediate in the reducing end. In a subsequent transglycosylation step, the glucosyl moiety is transferred to the nonreducing end of an acceptor to form a growing glucan polymer chain made up of glucose molecules. It has been proposed that both sucrose breakdown and glucan synthesis occur in the same active site of the catalytic domain, although the active site does not appear to be large enough to accommodate both functions. These three enzymes belong to glycoside hydrolase family 70 (GH70), which shows homology to glycoside hydrolase family 13 (GH13). GtfC synthesizes both soluble and insoluble glucans (α-1,3 and α-1,6 glycosidic linkages), while GtfB and GtfD synthesize only insoluble or soluble glucans, respectively. Here, crystal structures of the catalytic domains of GtfB and GtfD are reported. These structures are compared with previously determined structures of the catalytic domain of GtfC. With this work, apo structures and inhibitor-complex structures with acarbose are now available for the catalytic domains of GtfC and GtfB. The structure of GtfC with maltose allows further identification and comparison of active-site residues. A model of sucrose binding to GtfB is also included. The new structure of the catalytic domain of GtfD affords a structural comparison of the three S. mutans glycosyltransferases. Unfortunately, the catalytic domain of GtfD is not complete since crystallization resulted in the structure of a truncated protein lacking approximately 200 N-terminal residues of domain IV.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

A Hybrid Index for Characterizing Drought Based on a Nonparametric Kernel Estimator

This study develops a nonparametric multivariate drought index, namely, the nonparametric multivariate standardized drought index (NMSDI), by considering the variations of both precipitation and streamflow. Building upon previous efforts in constructing nonparametric multivariate drought index, the nonparametric kernel estimator is used to derive the joint distribution of precipitation and streamflow, thus providing additional insights into drought-index development. The proposed NMSDI is applied in the Wei River basin (WRB), on the basis of which the drought-evolution characteristics are investigated. Three main results were found: 1) In general, NMSDI captures drought onset in a way that is similar to that of the standardized precipitation index and captures drought termination and persistence in a way that is similar to that of the standardized streamflow index. We report the drought events identified by NMSDI match well with historical drought records in the WRB. Performance is also consistent with that of an existing multivariate standardized drought index at various time scales, confirming the validity of the newly constructed NMSDI in drought detections. 2) An increasing risk of drought has been detected for past decades and will persist to a certain extent in the future in most areas of the WRB. 3) The identified changepoints of annual NMSDI are mainly concentrated in the early 1970s and mid-1990s, coincident with extensive water use and soil conservation practices. In summary, this study highlights a nonparametric multivariable drought index that can efficiently and comprehensively be used for drought detections and predictions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Computationally Robust Line Outage Detection and Identification in Three-Phase Networks

Detection and identification of individual phase outages remains a challenging problem due to insufficient metering in three-phase unbalanced power networks. This problem was tackled for the transmission systems in our previous work as documented in [1]. In this paper, this work is extended to detect phase outages in three-phase unbalanced systems using only the sparse estimation method. In addition, further improvements are introduced to increase the estimation accuracy for the virtual power injections at the terminal buses of disconnected lines, once the disconnected line is identified by sparse estimation methods. Simulation results are provided to experimentally validate the increased accuracy in detecting phase outages while decreasing the computational time by using the proposed approach.

Sparse Estimation, Line Outage, Phase Outage, LASS↗
DOE OSTI2017

Comparison of Virtual Oscillator and Droop Control: Preprint

Virtual oscillator control and droop control are two techniques that can be used to ensure synchronization and power sharing of parallel inverters in islanded operation. VOC relies on the implementation of non-linear Van der Pol oscillator equations in the control system of the inverter, acting upon the time-domain instantaneous inverter current and terminal voltage. On the other hand, DC explicitly computes active and reactive power produced by the inverter and relies on limited bandwidth low-pass filters. Even though both methods can be engineered to produce the same steady-state characteristics, their dynamic performances are significantly different. This paper presents analytical and experimental results that aim to compare both methods. It is shown that VOC is inherently faster and enables minimizing the circulating currents. The results are verified using three 120V, 1kW inverters.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Structure of the respiratory MBS complex reveals iron-sulfur cluster catalyzed sulfane sulfur reduction in ancient life

Abstract Modern day aerobic respiration in mitochondria involving complex I converts redox energy into chemical energy and likely evolved from a simple anaerobic system now represented by hydrogen gas-evolving hydrogenase (MBH) where protons are the terminal electron acceptor. Here we present the cryo-EM structure of an early ancestor in the evolution of complex I, the elemental sulfur (S 0 )-reducing reductase MBS. Three highly conserved protein loops linking cytoplasmic and membrane domains enable scalable energy conversion in all three complexes. MBS contains two proton pumps compared to one in MBH and likely conserves twice the energy. The structure also reveals evolutionary adaptations of MBH that enabled S 0 reduction by MBS catalyzed by a site-differentiated iron-sulfur cluster without participation of protons or amino acid residues. This is the simplest mechanism proposed for reduction of inorganic or organic disulfides. It is of fundamental significance in the iron and sulfur-rich volcanic environments of early earth and possibly the origin of life. MBS provides a new perspective on the evolution of modern-day respiratory complexes and of catalysis by biological iron-sulfur clusters.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

MIS High-Purity Plutonium Oxide Metal Oxidation Product BLO-39-11-14-004 (SSR132 and 132A): Final Report

A high-purity, reactor-grade plutonium dioxide material from the Material Identification and Surveillance (MIS) Program inventory has been studied with regard to gas generation and corrosion in a storage environment. BLO-39-11-14-004 is a high specific power oxide that represents Hanford process plutonium oxides from oxalate process product, oxalate precipitation of impure plutonium and pure mixed uranium/plutonium nitrate solutions, PFP NDA and impure and scrap plutonium oxides 80-85% from PFP and the 300 area. It also represents plutonium oxides from oxalate precipitation at LANL and Savannah River. After calcination to 950 °C, the material contained 80% plutonium and 7% americium with no major impurities. This study followed over time the gas pressure of a sample with nominally 0.5 wt% water in a sealed container with an internal volume scaled to 1/500th of the volume of a 3013 container. A leak occurred in the original reactor (SSR132) which was terminated after 3 years. The sample was reloaded (SSR132A) and an additional set of data was collected. Results from both loadings are discussed. Gas compositions were measured periodically over three (SSR132) and four and a half (SSR132A) year periods. The maximum observed gas pressures were 93 kPa and 94 kPa, respectively. The increase over the initial pressure was primarily due to generation of nitrogen gas. For SSR132, the maximum observed gas pressure for hydrogen was 1.2 kPa and oxygen was 9.3 kPa (includes oxygen from leak). For SSR132A, the maximum observed gas pressure for hydrogen was 5.5 kPa and oxygen was 0.9 kPa. At the completion of the study, the internal components of the sealed container showed limited signs of corrosion.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

HEMP Testing of Substation Yard Circuit Breaker Control and Protective Relay Circuits

There are concerns about the effects of High-Altitude Electromagnetic Pulses (HEMP) on the electric power grid. Activities to date tested and analyzed vulnerability of digital protective relays (DPRs) used in power substations, but the effect of HEMP on the greater substation environment is not well known. This work establishes a method of testing the vulnerability of circuit breaker control and protective relay circuits to the radiated E1 pulse associated with HEMP based on coupling to the cables in a substation yard. Two DPRs from Schweitzer Engineering Laboratories, Inc. were independently tested. The test setup also included a typical cable in a substation yard with return plane to emulate the ground grid and other ground conductors near the yard cable, cabinetry housing the installed DPRs, station battery and battery charger, terminal block elements, and a breaker simulator to emulate a substation yard configuration. The DPRs were powered from the station battery and the transformer inputs energized with a three-phase source to maintain typical operating conditions during the tests. Vulnerability testing consisted of a conducted E1 pulse injected into the center of the yard cable of the DPR circuits. Current measurements on the yard cable and DPR inputs indicated significant attenuation of the conducted pulse arriving at the control house equipment from the emulated substation yard. This reduction was quantified with respect to the equivalent open-circuit voltage on the yard cable. No equipment damage or undesired operation occurred on the tested circuits for values below 180 kV, which is significantly higher than the anticipated coupling to a substation yard cable.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2015

Investigation of defect-induced abnormal body current in fin field-effect-transistors

This letter investigates the mechanism of abnormal body current at the linear region in n-channel high-k/metal gate stack fin field effect transistors. Unlike body current, which is generated by impact ionization at high drain voltages, abnormal body current was found to increase with decreasing drain voltages. Notably, the unusual body leakage only occurs in three-dimensional structure devices. Based on measurements under different operation conditions, the abnormal body current can be attributed to fin surface defect-induced leakage current, and the mechanism is electron tunneling to the fin via the defects, resulting in holes left at the body terminal.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗