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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Elliptically-Contoured Tensor-variate Distributions with Application to Image Learning

Statistical analysis of tensor-valued data has largely used the tensor-variate normal (TVN) distribution that may be inadequate for data arising from distributions with heavier or lighter tails. We study a general family of elliptically contoured (EC) TV distributions and derive its characterizations, moments, marginal, and conditional distributions. We describe procedures for maximum likelihood estimation from data that are (1) uncorrelated draws from an EC distribution, (2) from a scale mixture of the TVN distribution, and (3) from an underlying but unknown EC distribution, for which we extend Tyler’s robust estimator. A detailed simulation study highlights the benefits of choosing an EC distribution over the TVN for heavier-tailed data. We develop TV classification rules using discriminant analysis and EC errors and show that they better predict cats and dogs from images in the Animal Faces-HQ dataset than the TVN-based rules. A novel tensor-on-tensor regression and TV analysis of variance (TANOVA) framework under EC errors is also demonstrated to better characterize gender, age, and ethnic origin than the usual TVN-based TANOVA in the celebrated labeled faces of the wild dataset.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Tropical High Cloud Feedback Relationships to Climate Sensitivity

Clouds constitute a large portion of uncertainty in predictions of equilibrium climate sensitivity (ECS). While low cloud feedbacks have been the focus of intermodel studies due to their high variability among global climate models, tropical high cloud feedbacks also exhibit considerable uncertainty. Here, we apply the cloud radiative kernel technique of Zelinka et al. to 22 models across the CMIP5 and CMIP6 ensembles to survey tropical high cloud feedbacks and analyze their relationship to ECS. We find that the net high cloud feedback and its altitude and optical depth feedback components are significantly positively correlated with ECS in the tropical mean. On the other hand, the tropical mean high cloud amount feedback is not correlated with ECS. These relationships are most pronounced outside of areas of strong climatological ascent, suggesting the importance of thin cirrus feedbacks. Finally, we explore connections between high cloud feedbacks, climate sensitivity, and mean state high cloud properties. In general, high ECS models are cloudier in the upper troposphere but have a thinner high cloud population. Furthermore, we find that having more thin cirrus in the mean state relates to more positive high cloud altitude and optical depth feedbacks, and it either amplifies or dampens the high cloud amount feedback depending on the large-scale dynamical regime (amplifying in descent and dampening in ascent). In summary, our analysis highlights the importance of tropical high cloud feedbacks for driving intermodel spread in ECS and suggests that mean state high cloud characteristics might provide a unique opportunity for observationally constraining high cloud feedbacks.

atmosphere↗
DOE OSTI2015

Semiconductor-electrocatalyst contacts: theory, experiment, and applications to solar water photoelectrolysis

Semiconductor photoelectrodes coated with electrocatalysts are key components of photoelectrochemical (PEC) energy conversion and storage systems. Such systems could provide a way to convert the energy in sunlight directly into energy stored in a fuel like hydrogen gas to power our modern society without using fossil fuels. Despite an intense effort aimed at optimizing these materials, there has been little systematic work focused on the semiconductor-electrocatalyst (SC|EC) interface. The SC|EC interface is important because it is responsible for collecting the photoexcited electron-hole pairs generated in the semiconductor. During the performance period we initiated a fundamental effort to understand interfacial electron transfer between electrocatalysts and bulk semiconductors. We developed an experimental technique, dual-working-electrode (DWE) photoelectrochemistry, allowing for direct electrical measurement of the SC-EC interface in situ. We also developed the first theory of the SC|EC interface and applied the theory through numerical simulation to explain the measured interfacial charge transfer properties of the SC|EC junction. We discovered that porous, ion-permeable, redox-active catalysts such as Ni-(Fe) oxyhydroxides form so-called “adaptive” junctions where the effective interfacial barrier height for electron transfer depends on the charge state of the catalyst. This is in sharp contrast to interface properties of dense ion-impermeable catalysts, which we found form buried junctions that could be described by simple equivalent electrical circuits. These results elucidated a design principle for catalyzed photoelectrodes - high-performance photoelectrodes with direct SC|EC junctions use soft deposition techniques that yield ion-permeable catalysts. This work thus provides a foundation for the development of improved photoelectrodes that are practically relevant because they provide a mechanism to directly convert and store solar energy in the form of hydrogen gas, a renewable chemical fuel.

08 HYDROGEN↗
DOE OSTI2018

Envision Charlotte Project Final Report

The Envision Charlotte Project (EC Project), supported by partners at the Center for Climate and Energy Solutions, the University of North Carolina at Charlotte’s Center for Sustainably Integrated Buildings and Sites and the City of Charlotte, has successfully demonstrated that existing buildings can benefit from operations improvements and low-cost efficiency upgrades, and that behavioral change campaigns can be effectively designed for measurability, longevity and impact. Support from this grant gave Envision Charlotte and its partners the resources and flexibility to demonstrate a variety of approaches to improve coordination with stakeholders in the implementation of programs to reduce the consumption of energy, water and waste. The project team also gained insights into the motivations and abilities that influence stakeholder engagement in sustainability initiatives at multiple levels. Importantly, as this report describes, strong partnerships between nonprofits, industry partners and research institutions can produce tangible impacts and replicable results in building efficiency. Further, building operators working alongside student researchers can form productive relationships that can advance building energy management goals. Key Findings of the EC Project This project focused on advancing solutions to energy efficiency in U.S. commercial buildings. The Building Re-Tuning™ Training (BRT) developed by the U.S. DOE’s Pacific Northwest National Lab (PNNL), designed to detect energy savings opportunities and implement improvements with resources and online tools, provided the starting point for the curriculum developed by stakeholders in the EC Project. Although the project partners encountered some issues with data consistency, the overall project outcomes fell short of the energy savings stated in the original proposal, and the total participating building targets were lower than anticipated, important findings, outcomes and lessons learned were achieved. EC Project grantees observed that the PNNL BRT, as currently written, was not compatible with the skills of average frontline mechanical personnel in the Charlotte region where the grant program was performed. Frontline staff are not, typically, energy managers, engineers or building commissioning agents, but they can play a key role in building performance. As detailed in this report, the grantees therefore focused on changes to the BRT that improved the level of training and competency of the frontline workers in this region. Among the technical observations related to improving the BRT that were observed in the EC Project: centralized facilities management often has an impact on building performance; operators can be overly reliant on service contracts; individual behaviors matter, and technology cannot be viewed as a crutch; current Building Automation Systems (BAS) are often too complex to support building efficiency optimization, but BAS coupled with appropriate training can support better outcomes; the “perfectly optimized” building is not a near-term possibility, but better education, especially of executives and managers, on the role of behavioral intervention is a promising direction the building science community can and should pursue; a lack of standards and protocols, and competition between proprietary software from service contracts, remain challenges for this industry. These technical observations, in turn, informed the EC Project’s overall findings, which were: Accomplishing building efficiency is a process of education for all involved in the building design, construction and operation supply chain. Building operators, as a professional class, have an opportunity for further training and education that will lead to better on-the-job performance. An updated Building Re-Tuning™ Training curriculum, based on the findings of this report, could be an avenue for these operators’ professional development.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Groundwater Inflows to the Columbia River Along the Hanford Reach and Associated Nitrate Concentrations

Healthy river ecosystems require the interaction of many physical and biological processes to maintain their status. One physical process supporting biogeochemical cycling is hydrologic exchange (i.e., hydrologic exchange flows, HEFs) between relatively fast-flowing channel waters and slower-flowing surface and subsurface waters (lateral and vertical). Land uses adjacent to rivers have the potential to alter the water quality of off-channel surface and subsurface waters, and HEFs therefore have the potential to deliver solutes associated with river-adjacent land uses to rivers. HEFs can be nonpoint, diffuse sources of pollution, making the ultimate pollution source difficult to identify, especially in large rivers. Here, we seek to identify HEFs in the Columbia River near Richland, WA by looking for anomalies in temperature and electrical conductivity (EC) along the bed of the river in February, June, July, August, and November 2018. These are ultimately the “ends” of HEFs as they are locations of subsurface inflow to the river. We found these anomalies to be a combination of warmer or colder and higher (but not lower) EC than river water. We identified a majority of warm anomalies in February and July 2018, and majority cold anomalies in June, August, and November 2018. High-EC anomalies were found mostly in February, August, and November. Combined, we observe a shift from warm, high EC anomalies dominating in February to equivalent EC, warm anomalies in June, to equivalent EC, cool anomalies dominating July. In August, we also measured dissolved nitrate ($NO^-_3$) in-situ to determine whether anomalies were associated with increased $NO^-_3$ loading to the river, especially along the eastern shoreline, which is dominated by agricultural land use. Inflows along the eastern shoreline have greater concentrations of nitrate than river water (up to 10 mg $N–NO^-_3$/L). This research demonstrates that HEFs are temporally and spatially dynamic transferring heat and solutes to rivers.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Passive Acoustic Monitoring Provides Insights into Avian Use of Energycane Cropping Systems in Southern Florida

Birds are important indicators of ecosystem health and provide a range of benefits to society. It is important, therefore, to understand the impacts of agricultural land use changes on bird populations. The cultivation of energycane (EC)—a sugarcane hybrid—for biofuel production represents one form of agricultural land use change in southern Florida. We used passive acoustic monitoring (PAM) to examine bird community use of experimental EC fields and other agricultural land uses at two study sites in southern Florida. We deployed 16 acoustic recorders in different study plots and used the automatic species identifier BirdNET to identify 40 focal bird species. We found seasonal differences in daily avian species diversity and richness between EC experimental plots and reference agricultural fields (corn fields, orchards, pastureland), and between time periods (pre-planting, post-planting). Daily avian species diversity and richness were lower in the EC experimental plots during Fall and Winter months when plants reached maximum height (>400 cm in some areas). Despite seasonal differences in daily measures of species diversity and richness, we found no differences in cumulative species richness, suggesting that there may be little overall (season-long) effects of EC production. These findings could provide insight to avian seasonal habitat preferences and underscore the potential limitations of PAM in areas experiencing dynamic vegetation changes. More research is needed to better understand if utilization of EC cropping systems results in positive or negative effects on avian populations (e.g., foraging habitat quality, predator–prey dynamics, nest success).

BirdNET↗
NASA NTRS1996

Alterations of Body Mass Gain of Neonates (P7&P14) During Certrifugation AT 2G

Previous research has shown animal body mass to be significantly affected by centrifugation. At the onset of centrifugation, animals have a selective loss of fat, causing an initial body mass loss. Body mass gain will resume at the same rate as uncentrifuged animals, but this subsequent gain will be lower. For this study, two different ages of Sprague Hawley neonate families were observed during centrifugation. Eight litters (dam with eight neonates) of postnatal day (PN) seven and four litters (dam with ten neonates) of PN 14 were separated into two separate groups each, centrifuge (+2G(sub z)) and environmental controls (EC) and placed into either the centrifuge or an animal holding unit in the centrifuge rotunda for a total of 16 days. P7: Total litter start mass of +2G(sub z) litter = 138.90 g/end = 311.0 g EC litter = 150.85 g/end = 516.9 g. P14: Total litter start mass of +2G(sub z) litter = 287.70 g/end = 762.5g; EC litter = 245 g/end = 942.9 g. An initial body mass loss was observed in both groups of +2G(sub z) animals for two days after the onset of centrifugation, but then an increase began to occur. Literature suggests adult animals at +2G(sub z), will have an initial loss, but will resume similar growth rates over time as compared to control animals. The P7 +2G(sub z) animals began to gain body mass, but showed a significantly slower growth rate than their EC animals for the duration of the test (pace). The P14 +2G(sub z) animals began to show similar growth rates to their EC after day nine. At day 16, both groups of +2Gz animals were significantly smaller than the EC animals (pace). At +2Gz, animals experience an initial body mass loss. Older animals are able to resume similar growth rates as their controls, but younger animals showed growth rates to be significantly reduced.

Baer, L. A.↗
NASA NTRS1999

Efferent projections of the ectostriatum in the pigeon (Columba livia)

The ectostriatum is a major visual component of the avian telencephalon. The core region of the ectostriatum (Ec) receives visual input from the optic tectum through thalamic nuclei. In the present study, the efferent projections of the ectostriatum were investigated by using the anterograde tracers Phaseolus vulgaris leucoagglutinin and biotinylated dextran amine. Projection patterns resulting from these tracers were confirmed by the retrograde tracer cholera toxin subunit B. When anterograde tracers were injected in Ec, primary projections were seen traveling dorsolaterally to the belt region of the ectostriatum (Ep) and the neostriatal area immediately surrounding Ep (Ep2). Neurons in Ep sent projections primarily to the overlying Ep2. The efferents of Ep2 traveled dorsolaterally to terminate in three telencephalic regions, from anterior to posterior: (1) neostriatum frontale, pars lateralis (NFL), (2) area temporo-parieto-occipitalis (TPO), and (3) neostriatum intermedium, pars lateralis (NIL). A part of the archistriatum intermedium and the lateral part of the neostriatum caudale also received somewhat minor projections. In addition, some neurons in Ec were also the source of direct, but minor, projections to the NFL, TPO, NIL, and archistriatum intermedium. The topographical relationship among the primary (Ec), secondary (Ep and Ep2), and tertiary (NFL, TPO, NIL) areas indicate that the neural populations for visual processing are organized along the rostral-caudal axis. Thus, the anterior Ec sent efferents to the anterior Ep, which in turn sent projections to anterior Ep2. Neurons in the anterior Ep2 sent projections to NFL and the anterior TPO. Similarly, the intermediate and posterior Ec sent projections to corresponding parts of Ep, whose efferents projected to intermediate and posterior Ep2, respectively. The intermediate Ep2 gave rise to major projections to TPO, whereas posterior Ep2 neurons sent efferents primarily to NIL. The organization of this neural circuit is compared with those of other sensory circuits in the avian telencephalon, as well as the laminar arrangement of the mammalian isocortex.

Non-NASA Center↗
NASA NTRS2007

The EBIT Calorimeter Spectrometer: A New, Permanent User Facility at the LLNL EBIT

The EBIT Calorimeter Spectrometer (ECS) has recently been completed and is currently being installed at the EBIT facility at the Lawrence Livermore National Laboratory. The ECS will replace the smaller XRS/EBIT spectrometer that has been in almost continuous operation since 2000. The XRS/EBIT was based on a spare laboratory cryostat and an engineering model detector system from the Suzaku/XRS observatory. The new ECS spectrometer was built from the ground up to be a low maintenance, high performance microcalorimeter spectrometer with 4 eV resolution at 6 keV, 32 detector channels, 10 us event timing, and capable of uninterrupted acquisition sessions of over 70 hours at 50 mK. The XRSIEBIT program has been extremely successful, producing over two-dozen refereed publications on topics such as laboratory astrophysics, atomic physics, nuclear physics, and calibration of the spectrometers for the National Ignition Facility, with many more publications in preparation. The ECS spectrometer will continue this work into the future with improved spectral resolution, integration times, and ease-of-use. We designed the ECS instrument with TES detectors in mind by using the same highly successful magnetic shielding as our laboratory TES cryostats. This design will lead to a future TES instrument at the LLNL EBIT. This proposed future instrument would include a hybrid detector system with 0.8 eV resolution in the band from 0.1-1.0 keV, 2 eV from 0.1-10 keV, and 30 eV from 0.5-100 keV, with high quantum efficiency in each band. Here we discuss the legacy of the XRS/EBIT program, the performance of the new ECS spectrometer, and plans for a future TES spectrometer.

Porter, S.↗
NASA NTRS2012

Electrochemical Ultracapacitors Using Graphitic Nanostacks

Electrochemical ultracapacitors (ECs) have been developed using graphitic nanostacks as the electrode material. The advantages of this technology will be the reduction of device size due to superior power densities and relative powers compared to traditional activated carbon electrodes. External testing showed that these materials display reduced discharge response times compared to state-of-the-art materials. Such applications are advantageous for pulsed power applications such as burst communications (satellites, cell phones), electromechanical actuators, and battery load leveling in electric vehicles. These carbon nanostructures are highly conductive and offer an ordered mesopore network. These attributes will provide more complete electrolyte wetting, and faster release of stored charge compared to activated carbon. Electrochemical capacitor (EC) electrode materials were developed using commercially available nanomaterials and modifying them to exploit their energy storage properties. These materials would be an improvement over current ECs that employ activated carbon as the electrode material. Commercially available graphite nanofibers (GNFs) are used as precursor materials for the synthesis of graphitic nanostacks (GNSs). These materials offer much greater surface area than graphite flakes. Additionally, these materials offer a superior electrical conductivity and a greater average pore size compared to activated carbon electrodes. The state of the art in EC development uses activated carbon (AC) as the electrode material. AC has a high surface area, but its small average pore size inhibits electrolyte ingress/egress. Additionally, AC has a higher resistivity, which generates parasitic heating in high-power applications. This work focuses on fabricating EC from carbon that has a very different structure by increasing the surface area of the GNF by intercalation or exfoliation of the graphitic basal planes. Additionally, various functionalities to the GNS surface will be added that can exhibit pseudocapacitance. This pseudocapacitance exhibits faradaic (charge transfer) properties that can further increase the overall relative and volumetric capacitance of the material. A process is also proposed to use GNF as a precursor material to fabricate GNS that will be used as EC electrodes. This results in much better electrical conductivity than activated carbon. This is advantageous for high-pulsed-power applications to reduce parasitic heating. Larger average pore size allows more complete electrolyte wetting (faster charge transfer kinetics). These properties contribute to a lowered equivalent series resistance (ESR), increased specific power, shorter charging times, and decreased parasitic heating. The high density of basal plane edges provides nucleation sites for activation (addition of hydrophilic functional groups) that facilitate electrolyte wetting, and will contribute to pseudocapacitance.

Marotta, Christopher↗
NASA NTRS2018

Probing Neodymium Isotopic Variations in the Inner Solar System

One of the key problems in planetary science is the identification of the building blocks of Earth, and whether they exist within our current collection of meteorites. Stable mass independent isotopic anomalies, usually nucleosynthetic in origin, are a key tool in fingerprinting material coming from different accretionary regions within the protoplanetary disk. For a number of isotopic systems such as O, Ni, Ti and Cr, enstatite chondrites (EC) appear to be the strongest candidates for Earth's building blocks, despite their low Mg/Si ratios relative to the bulk Earth. It has been proposed that Earth, the Moon-forming impactor and enstatite chondrites all were originally sourced from the same reservoir in the protoplanetary disk, but subsequently experienced divergent chemical evolution pathways. This was recently challenged by who used the correlation between Mo and Nd isotopes in bulk meteorites to argue that such a reservoir does not exist as the isotopic composition of enstatite chondrites is resolvable from Earth. However, in detail the Nd isotopic ratios of EC ((142)Nd/(144)Nd, (148)Nd/(144)Nd, (150)Nd/(144)Nd) show considerable variability, and overlap significantly with the isotopic composition of both the bulk Earth and ordinary chondrites (OC). previously identified Nd isotopic variability in EC, linking it to the degree of equilibration the meteorite had experienced, however they only focused on collecting high precision (142)Nd/(144)Nd, which also has contributions from the decay of the short-lived Sm-146 nuclide (t(sub 1/2) ~103 Myr), making identification of nucleosynthetic anomalies less clear. While the study of reports all the Nd isotopic ratios measured at high precision, only equilibrated EC were analyzed. Therefore, with the currently published data it is unclear to what extent thermal equilibration in the EC is responsible for the variation observed in the stable Nd isotopic ratios, and whether the EC reservoir can be resolved from Earth. In order to better understand the genetic relationship between enstatite chondrites and the Earth we are carrying out a more systematic study including both equilibrated and unequilibrated enstatite chondrites, focusing on high precision analysis of all the stable Nd isotopic ratios.

SOLAR SYSTEM↗
DOE OSTI2018

Internal Variability and Disequilibrium Confound Estimates of Climate Sensitivity From Observations

An emerging literature suggests that estimates of equilibrium climate sensitivity (ECS) derived from recent observations and energy balance models are biased low because models project more positive climate feedback in the far future. Here we use simulations from the Coupled Model Intercomparison Project Phase 5 (CMIP5) to show that across models, ECS inferred from the recent historical period (1979–2005) is indeed almost uniformly lower than that inferred from simulations subject to abrupt increases in CO2 radiative forcing. However, ECS inferred from simulations in which sea surface temperatures are prescribed according to observations is lower still. ECS inferred from simulations with prescribed sea surface temperatures is strongly linked to changes to tropical marine low clouds. However, feedbacks from these clouds are a weak constraint on long-term model ECS. One interpretation is that observations of recent climate changes constitute a poor direct proxy for long-term sensitivity.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Ethylene Carbonate–Free Electrolytes for High–Nickel Layered Oxide Cathodes in Lithium–Ion Batteries

Layered lithium nickel oxide (LiNiO 2 ) can provide very high energy density among intercalation cathode materials for lithium-ion batteries, but suffers from poor cycle life and thermal-abuse tolerance with large lithium utilization. In addition to stabilization of the active cathode material, a concurrent development of electrolyte systems of better compatibility is critical to overcome these limitations for practical applications. Here, with nonaqueous electrolytes based on exclusively aprotic acyclic carbonates free of ethylene carbonate (EC), superior electrochemical and thermal characteristics are obtained with an ultrahigh-nickel cathode (LiNi 0.94 Co 0.06 O 2 ), capable of reaching a 235 mA h g –1 specific capacity. Pouch-type graphite | LiNi 0.94 Co 0.06 O 2 cells in EC-free electrolytes withstand several hundred charge–discharge cycles with minor degradation at both ambient and elevated temperatures. In thermal-abuse tests, the cathode at full charge, while reacting aggressively with EC-based electrolytes below 200 °C, shows suppressed self-heating without EC. Through 3D chemical and structural analyses, the intriguing impact of EC is visualized in aggravating unwanted surface parasitic reactions and irreversible bulk structural degradation of the cathode at high voltages. Finally, these results provide important insights in designing high-energy electrodes for long-lasting and reliable lithium-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2019

A High‐Throughput Screening Method to Identify Compounds Displaying Human Vascular Embryonic Toxicity

Abstract This article describes a screening platform to identify compounds that affect human embryonic vascular development. The procedure comprises the generation of human embryonic‐like endothelial cells (ECs) from human pluripotent stem cells (hPSCs) and subsequent maturation under arterial flow conditions; the use of these cells for the high‐throughput screening of small molecules that specifically inhibit the survival of embryonic‐like ECs; the confirmation of the hits in embryonic‐like ECs cultured under flow shear stress; and final validation in mouse embryonic ECs. The embryonic‐like ECs express embryonic genes including DLL1 , EPHB2 , LYN , TEK , ID1, NRP2, CAST, FLT1, IGF1, DKK3, NIN, LEF1 , and SORBS3 . The entire screening procedure (without the validation step) can be completed within 1 month. This platform is an alternative/complement to standard animal protocols for assessing the effects of chemicals on embryonic vascular development. © 2019 by John Wiley & Sons, Inc.

Rosa, Susana↗
DOE OSTI2023

Solvation Effects on the Dielectric Constant of 1 M LiPF6 in Ethylene Carbonate: Ethyl Methyl Carbonate 3:7

We report the dielectric constant of 1 M LiPF 6 in EC:EMC 3:7 w/w (ethylene carbonate/ethyl methyl carbonate) in addition to neat EC:EMC 3:7 w/w. Using three Debye relaxations, the static permittivity value, or dielectric constant, is extrapolated to 18.5, which is compared to 18.7 for the neat solvent mixture. The EC solvent is found to strongly coordinate with the Li + cations of the salt, which results in a loss of dielectric contribution to the electrolyte. However, the small amplitude and large uncertainty in relaxation frequency for EMC cloud definitive identification of the Li + solvation shell. Importantly, the loss of the free EC permittivity contribution due to Li + solvation is almost completely balanced by the positive contribution of the associated LiPF 6 salt, demonstrating that a significant quantity of dipolar ion pairs exists in 1 M LiPF 6 in EC:EMC 3:7.

25 ENERGY STORAGE↗
DOE OSTI2020

Solution structure for an Encephalitozoon cuniculi adrenodoxin-like protein in the oxidized state

Encephalitozoon cuniculi is a unicellular, obligate intracellular eukaryotic parasite in the Microsporidia family and one of the agents responsible for microsporidosis infections in humans. Like most Microsporidia, the genome of E. cuniculi is markedly reduced and the organism contains mitochondria-like organelles called mitosomes instead of mitochondria. Here we report the solution NMR structure for a protein physically associated with mitosome-like organelles in E. cuniculi, the 128-residue, adrenodoxin-like protein Ec-Adx (UniProt ID Q8SV19) in the [2Fe-2S] ferredoxin superfamily. Oxidized Ec-Adx contains a mixed four-strand β-sheet, β2-β1-β4-β3 (↓↑↑↓), loosely encircled by three α-helices and two 310-helices. This fold is similar to the structure observed in other adrenodoxin and adrenodoxin-like proteins except for the absence of a fifth anti-parallel β-strand next to β3 and the position of α3. Cross peaks are missing or cannot be unambiguously assigned for 20 amide resonances in the 1 H- 15 N HSQC spectrum of Ec-Adx. These missing residues are clustered primarily in two regions, G48-V61 and L94-L98, containing the four cysteine residues predicted to ligate the paramagnetic [2Fe-2S] cluster. Missing amide resonances in 1 H- 15 N HSQC spectra are detrimental to NMR-based solution structure calculations because 1 H- 1 H NOE restraints are absent (glass half-empty) and this may account for the absent β-strand (β5) and the position of α3 in oxidized Ec-Adx. On the other hand, the missing amide resonances unambiguously identify the presence, and immediate environment, of the paramagnetic [2Fe-2S] cluster in oxidized Ec-Adx (glass half-full).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Correlation between cation order/disorder and the electrocaloric effect in the MLCCs of complex perovskite ferroelectrics

The physical properties (dielectric, ferroelectric, piezoelectric, etc.) of complex perovskite ferroelectrics depend on the degree of order/disorder and the scale of the ordered domains. In this study, the electrocaloric (EC) properties of three representative complex perovskite ferroelectrics, Pb(Mg 1/3 Nb 2/3 )O 3 -8PbTiO 3 (PMN-8PT), 1mol% Sm-doped Pb(Mg 1/3 Nb 2/3 )O 3 -8PbTiO 3 (1S-PMN-8PT) and Pb(Sc 1/2 Ta 1/2 )O 3 (PST) are evaluated. Multi-layer ceramic capacitors (MLCCs) with identical structural configurations were fabricated for these three compounds, and their EC properties were characterized by direct measurement using a thermocouple. The EC temperature change of PMN-8PT, 1S-PMN-8PT and PST MLCCs under 20 V μm –1 at room temperature were found to be 1.42 K, 1.54 K, and 3.10 K, respectively. X-ray diffraction and high-resolution transmission electron microscopy data suggests that the high EC performance of PST is related to the ordering of B-site cations (Sc 3+ and Ta 5+ ) with the ordering parameter S = 0.82 and a long coherence length of ~100 nm, such that the sample transitioned from a relaxor ferroelectric to a normal ferroelectric. Furthermore, these results provide pathway towards design of high performance EC materials required for solid state refrigeration and air-conditioning technologies.

36 MATERIALS SCIENCE↗