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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 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Assessing whole-sounder removal versus traditional control for reducing invasive wild pig ( Sus scrofa ) populations

Trapping is commonly used as the primary management tool in attempts to reduce invasive wild pigs (Sus scrofa), but traditional trapping techniques are often ineffective. However, recently developed traps permit the capture of entire social groups (sounders) of wild pigs, and the strategy of whole-sounder removal may achieve more effective control. Our objective was to experimentally compare traditional control (TC; primarily traditional trapping, but including hunting with dogs, and opportunistic shooting) and whole-sounder removal (WSR) strategies by assessing density reduction and removal rate after 1 and 2 years of treatment. After 1 year of trapping, average wild pig density on WSR units declined 53% and remained stable after the second year, whereas on TC units, pig density did not differ after trapping, although it declined 33% and remained stable after the second year of trapping. The median removal rate (percentage of uniquely marked pigs present at the beginning of each year that were removed) was 42.5% for WSR units and 0.0% for TC units during 2018 and were 29.6% from WSR units and 5.3% from TC units during 2019. WSR removal was more effective at reducing wild pig density than TC, but factors such as previous exposure of this population to traditional traps and the lack of barriers to recolonization from surrounding areas may have reduced WSR efficacy. WSR can effectively reduce wild pig density to a greater extent than TC, but managers should recognize the additional time and expense necessary for implementation.

Sus scrofa↗
DOE OSTI2021

Au and Pt Diffusion in Electrodeposited Amorphous Sb 2 Te 3 Thin Films

Amorphous Sb 2 Te 3 thin films are synthesized using electrodeposition in different thicknesses to explore their solid electrolytic nature with respect to some noble metals. Au and Pt are used as the substrate materials and thermally diffused into the Sb 2 Te 3 films under passivated and nonpassivated conditions. Rutherford backscattering spectrometry is used to study the Au and Pt diffusion into the films as a function of depth. It is found that Au diffuses into the Sb 2 Te 3 thin films even at room temperature. In contrast, there is no observable diffusion of Pt at room temperature. At a higher temperature (i.e., 200 °C), both Au and Pt diffuse into the Sb 2 Te 3 thin films and Au diffusion is more significant than Pt. Overall, the findings suggest that amorphous Sb 2 Te 3 can be used as a good solid electrolyte to permit the diffusion of some noble metals such as Au and Pt.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Process-oriented stochastic perturbations applied to the parametrization of turbulence and shallow convection for ensemble prediction

Weather forecasting nowadays often requires some estimation of uncertainties associated with the output of meteorological models, in order to better inform decision making, especially in the context of intense weather events. Ensemble prediction systems provide such information through sets of possible scenarios which are designed to represent various uncertainty sources, including model uncertainties. A wide variety of methods have been proposed to estimate model uncertainties, among which perturbation methods targeting uncertain processes are a promising research field. Here, we focus on the representation of small-scale variability by process-oriented perturbation schemes applied to two key physical processes, namely turbulence and shallow convection. The perturbations are applied to a single-column version of the convection-permitting AROME model, in three idealized boundary-layer cases. Large-eddy simulations (LESs) of the same cases serve as a reference for the subgrid variability that has to be represented, and the results are also compared to those given by the Stochastically Perturbed Parametrization Tendencies (SPPT) method, which is a method commonly used by weather forecast centres to represent model uncertainty. The spread produced by our process-oriented perturbations of turbulence and shallow convection does not represent all the small-scale variability implied by the LESs for temperature and humidity. However, it is of a similar order of magnitude for the wind, thanks to perturbations generated by the stochastic turbulence scheme. The dispersion is structurally different from what is obtained with SPPT. It is non-negligible in the lower levels, where SPPT perturbations are usually suppressed because of numerical instabilities, indicating a possible complementarity between the schemes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

The Quantum Condition Space

Abstract The fundamental properties of quantum physics are exploited to evaluate event probabilities with projection measurements. Next, to study what events can be specified by quantum methods, the concept of the condition space is introduced, which is found to be the dual space of the classical outcome space of bit strings. Like the classical outcome space generates the quantum state space, the condition space generates the quantum condition space being the central idea of this work. The quantum condition space permits the existence of entangled conditions having no classical equivalent. In addition, the quantum condition space is related to the quantum state space by a Fourier transform guaranteed by the Pontryagin duality, and therefore an entropic uncertainty principle can be defined. The quantum condition space offers a novel perspective of understanding quantum states with the duality picture. Furthermore, the quantum conditions have physical meanings and realizations of their own and thus may be studied for purposes beyond the original motivation of characterizing events for probability evaluation. Finally, the relation between the condition space and quantum circuits provides insights into how quantum states are collectively modified by quantum gates, which may lead to deeper understanding of the complexity of quantum circuits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Surface science insight note: A linear algebraic approach to elucidate native films on Fe 3 O 4 surface

Standard materials are often used to obtain spectra that can be compared to those from unknown samples. Spectra measured from these known substances are also used as a means of computing sensitivity factors to allow quantification by X-ray photoelectron spectroscopy (XPS) of less well-defined materials. Spectra from known materials also provide line shapes suitable for inclusion in spectral models which, when fitted to spectra, permit the chemical state for a sample to be assessed. Both types of information depend on isolating photoemission signals from the inelastically scattered signal. In this Insight note, technical issues associated with the use of XPS of as received Fe 3 O 4 powder sample surface are discussed. The Insight note is designed to show how linear algebraic techniques applied to data collected from a sample marketed as pure Fe 3 O 4 powder are used to verify that XPS has been performed on chemistry representative of the sample. The methods described in this Insight note can further be utilized in elucidating complex XPS data obtained from thin films formed or evolved during cyclic/non-steady use of complex (electro)catalyst surfaces, especially in the presence of contaminants.

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

Measuring and modeling soil moisture and runoff at solar farms using a disconnected impervious surface approach

Abstract Ground‐mounted photovoltaic sites are often treated as impervious surfaces in stormwater permits. This ignores the pervious soils beneath and between solar arrays and leads to an overestimation of runoff. Our objective was to improve solar farm stormwater hydrology models by explicitly considering the disconnected impervious nature of solar design and site characteristics. Experimental sites established on utility scale solar farms in Colorado, Georgia, Minnesota, New York, and Oregon had perennial vegetative plantings with mean precipitation ranging from 40.6 to 124.5 cm, and soil texture ranging from loamy sand to clay. Soil moisture measurements were collected beneath arrays, under drip edges, and in the vegetated area between arrays at each site. Hydrus‐3D models for soil moisture and stormwater hydrology were developed that accounted for precipitation falling on solar panels, drip edge redistribution of rainfall, infiltration, and runoff in the pervious areas between solar arrays and beneath panels. Drip edge runoff averaged 3‐ to 10‐times incident precipitation at the New York and Minnesota sites, respectively. Root mean square error values between measured sub‐hourly soil moisture and predicted moisture for large measured single storm events averaged 0.029 across all five sites. Predicted runoff depths were strongly affected by precipitation depth, soil texture, soil profile depth, and soil bulk density. Runoff depths across the five experimental sites averaged 13%, 25%, and 45% of the 2‐, 10‐, and 100‐year design storm depths, clearly showing that these solar farms do not behave like impervious surfaces, but rather as disconnected impervious surfaces with substantial infiltration of runoff in the vegetated areas between and beneath solar arrays.

Agriculture↗
DOE OSTI2025

Bridging Experiment and Theory to Reveal Compounds in K–Zn(Cd)–Bi Systems

This study investigates the facile hydride synthesis method guided by theoretical predictions to explore the K–T–Bi (T = Zn, Cd) phase spaces. Using an adaptive genetic algorithm (AGA) and density functional theory (DFT), candidate compositions are identified for experimental validation via a facile hydrides route, permitting experimental screening of K–Zn–Bi and “empty” K–Cd–Bi systems. The previously reported KZnBi and KZn 2 Bi 2 are synthesized alongside newly discovered KCdBi and KCd 2 Bi 2 . While the AGA and DFT predict the stability of these compounds, structural predictions align with the experiment only for KZnBi and KZn 2 Bi 2 . Single-crystal X-ray structure refinements confirm that KZnBi and KZn 2 Bi 2 adopt the hexagonal ZrBeSi- and tetragonal ThCr 2 Si 2 -structure types, respectively. KCdBi has tetragonal PbClF-structure type and KCd 2 Bi 2 belongs to the ThCr 2 Si 2 -structure type. A trend based on the ratio of the metal ionic radii allows to rationalize variation in the structure types within the ATBi family (A = Li–Cs), correctly identifying KCdBi as isostructural to NaZnBi. Thermal stability studied by high-temperature powder X-ray diffraction reveals that Zn-containing compounds melt at higher temperatures (821 K for KZn 2 Bi 2 ) than Cd-containing KCd 2 Bi 2 (635 K). This study highlights the efficacy of combining rapid synthesis techniques with predictive modeling, though structural predictions show some limitations in accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Single-Cell Metabolomics with Rapid Determination of Chemical Formulas from Isotopic Fine Structures

Metabolomic measurements can provide functional readouts of cellular states and phenotypes. Here, we present a protocol for single-cell metabolomics that permits direct untargeted detection of a broad number of metabolites under ambient conditions, without the need for sample processing, and with high confidence in the discovery and identification of the molecular formulas for detected metabolites. This protocol describes combining fiber-based laser ablation electrospray ionization (f-LAESI) with a 21 Tesla Fourier transform ion cyclotron resonance mass spectrometer (21T-FTICR-MS) to obtain high confidence molecular formula information about detected metabolites. The f-LAESI source utilizes mid-infrared laser ablation through a sharp optical fiber tip, affording direct ambient analysis of cells without the need for sample processing. Using the 21T-FTICR-MS as a mass analyzer enabled measurement of the isotopic fine structure (IFS) for numerous metabolites simultaneously from single cells, and the IFSs were in turn computationally processed to rapidly determine the corresponding elemental compositions. This metabolomics technique complements other single cell omics measurement methods, helping to resolve complex molecular interactions that take place within cells unattainable from single cell transcriptomic and proteomics methods.

mass spectrometry, FTICR, FTMS, ultrahigh mass res↗
DOE OSTI2020

3D Characterization of the Columnar-to-Equiaxed Transition in Additively Manufactured Inconel 718

Additive manufacturing (AM) provides enormous processing flexibility, enabling novel part geometries and optimized designs. Access to a local heat source further permits the potential for local microstructure control on the scale of individual melt pools, which can enable local control of part properties. In order to design tailored processing strategies for target microstructures, models predicting the columnar-to-equiaxed transition must be extended to the high solidification velocities and complex thermal histories present in AM. Here, we combine 3D characterization with advanced modeling techniques to develop a more complete understanding of the solidification process and evolution of microstructure during electron beam melting (EBM) of Inconel 718. Full calibration of existing microstructure prediction models demonstrates the differences between AM processes and more conventional welding techniques, underlying the need for accurate determination of key parameters that can only be measured directly in 3D. The ability to combine multisensor data in a consistent 3D framework via data fusion algorithms is essential to fully leverage these advanced characterization approaches. Thermal modeling provides insight on microstructure development within isolated solidification events and demonstrates the role of Marangoni effects on controlling solidification behavior.

Polonsky, Andrew↗
DOE OSTI2023

The INTERSECT Open Federated Architecture for the Laboratory of the Future

A federated instrument-to-edge-to-center architecture is needed to autonomously collect, transfer, store, process, curate, and archive scientific data and reduce human-in-the-loop needs with (a) common interfaces to leverage community and custom software, (b) pluggability to permit adaptable solutions, reuse, and digital twins, and (c) an open standard to enable adoption by science facilities world-wide. The Selfdriven Experiments for Science/Interconnected Science Ecosystem (INTERSECT) Open Architecture enables science breakthroughs using intelligent networked systems, instruments and facilities with autonomous experiments, “self-driving” laboratories, smart manufacturing and artificial intelligence (AI) driven design, discovery and evaluation. It creates an open federated architecture for the laboratory of the future using a novel approach, consisting of (1) science use case design patterns, (2) a system of systems architecture, and (3) a microservice architecture.

Engelmann, Christian↗
DOE OSTI2023

Asynchronous Execution of Heterogeneous Tasks in ML-Driven HPC Workflows

Heterogeneous scientific workflows consist of numerous types of tasks that require execution on heterogeneous resources. Asynchronous execution of those tasks is crucial to improve resource utilization, task throughput and reduce workflows' makespan. Therefore, middleware capable of scheduling and executing different task types across heterogeneous resources must enable asynchronous execution of tasks. In this paper, we investigate the requirements and properties of the asynchronous task execution of machine learning (ML)-driven high-performance computing (HPC) workflows. We model the degree of asynchronicity permitted for arbitrary workflows and propose key metrics that can be used to determine qualitative benefits when employing asynchronous execution. Our experiments represent relevant scientific drivers, we perform them at scale on Summit, and we show that the performance enhancements due to asynchronous execution are consistent with our model.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

CubeSats for Gamma-Ray Astronomy [Book Chapter]

After many years of flying in space primarily for educational purposes, CubeSats – tiny satellites with form factors corresponding to arrangements of “1U” units, or cubes, each 10 cm on a side – have come into their own as valuable platforms for technology advancement and scientific investigations. CubeSats offer comparatively rapid, low-cost access to space for payloads that can be built, tested, and operated by relatively small teams, with substantial contributions from students and early career researchers. Continuing advances in compact, low-power detectors, readout electronics, and flight computers have now enabled X-ray and gamma-ray sensing payloads that can fit within the constraints of CubeSat missions, permitting in-orbit demonstrations of new techniques and innovative high-energy astronomy observations. Gamma-ray-sensing CubeSats are certain to make an important contribution in the new era of multi-messenger, time-domain astronomy by detecting and localizing bright transients such as gamma-ray bursts, solar flares, and terrestrial gamma-ray flashes; however, other astrophysical science areas requiring long observations in a low-background environment, including gamma-ray polarimetry, studies of nuclear lines, and measurement of diffuse backgrounds, will likely benefit as well. Here we present the primary benefits of CubeSats for high-energy astronomy, highlight the scientific areas currently or soon to be studied, and review the missions that are currently operating, under development, or proposed. A rich portfolio of CubeSats for gamma-ray astronomy already exists, and the potential for a broad range of creative and scientifically productive missions in the near future is very high.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Resonant Landau-Zener conversion in multi-axion systems

Multiple axions may emerge in the low-energy effective theory of Nature. Generically, the potentials describing these axion fields are non-diagonal, leading to mass mixing between axion states which can be temperature-dependent due to QCD instanton effects. As the temperature of the Universe drops, level crossing can occur, causing resonant conversion between axion states. In this work, we present an analytic study of the cosmological evolution of multi-axion systems including adiabatic and non-adiabatic resonant conversion from one axion state into another during the misalignment process. We show how the Landau-Zener formalism accurately captures the non-adiabatic resonant conversion, permitting an analytic description of the relic abundances of each axion field for nearly any arbitrary two-state axion mass matrix. As an application, we study the mixing of a QCD axion with an axion-like-particle for specific potentials to identify the predictions for haloscope experiments. We conclude that the detection of an axion off the expected QCD mass-coupling line predicts other haloscope targets if it mixes with the QCD axion.

Axions and ALPs↗
DOE OSTI2021

Search for new phenomena in final states with b-jets and missing transverse momentum in $ \sqrt{\mathrm{s}} $ = 13 TeV pp collisions with the ATLAS detector

The results of a search for new phenomena in final states with b -jets and missing transverse momentum using 139 fb - 1 of proton-proton data collected at a centre-of-mass energy s = 13 TeV by the ATLAS detector at the LHC are reported. The analysis targets final states produced by the decay of a pair-produced supersymmetric bottom squark into a bottom quark and a stable neutralino. The analysis also seeks evidence for models of pair production of dark matter particles produced through the decay of a generic scalar or pseudoscalar mediator state in association with a pair of bottom quarks, and models of pair production of scalar third-generation down-type leptoquarks. No significant excess of events over the Standard Model background expectation is observed in any of the signal regions considered by the analysis. Bottom squark masses below 1270 GeV are excluded at 95% confidence level if the neutralino is massless. In the case of nearly mass-degenerate bottom squarks and neutralinos, the use of dedicated secondary-vertex identification techniques permits the exclusion of bottom squarks with masses up to 660 GeV for mass splittings between the squark and the neutralino of 10 GeV. These limits extend substantially beyond the regions of parameter space excluded by similar ATLAS searches performed previously.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Composing effective prediction at five points

Color-kinematics duality in the adjoint has proven key to the relationship between gauge and gravity theory scattering amplitude predictions. In recent work, we demonstrated that at four-point tree-level, a small number of color-dual EFT building blocks could encode all higher-derivative single-trace massless corrections to gauge and gravity theories compatible with adjoint double-copy. One critical aspect was the trivialization of building higher-derivative color-weights — indeed, it is the mixing of kinematics with non-adjoint-type color-weights (like the permutation-invariant d 4 ) which permits description via adjoint double-copy. Here we find that such ideas clarify the predictions of local five-point higher-dimensional operators as well. We demonstrate how a single scalar building block can be combined with color structures to build higher-derivative color factors that generate, through double copy, the amplitudes associated with higher-derivative gauge-theory operators. These may then be suitably mapped, through another double-copy, to higher-derivative corrections in gravity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Improved high-throughput screening technique to rapidly isolate Chlamydomonas transformants expressing recombinant proteins

Abstract The single-celled eukaryotic green alga Chlamydomonas reinhardtii has long been a model system for developing genetic tools for algae, and is also considered a potential platform for the production of high-value recombinant proteins. Identifying transformants with high levels of recombinant protein expression has been a challenge in this organism, as random integration of transgenes into the nuclear genome leads to low frequency of cell lines with high gene expression. Here, we describe the design of an optimized vector for the expression of recombinant proteins in Chlamydomonas , that when transformed and screened using a dual antibiotic selection, followed by screening using fluorescence activated cell sorting (FACS), permits rapid identification and isolation of microalgal transformants with high expression of a recombinant protein. This process greatly reduces the time required for the screening process, and can produce large populations of recombinant algae transformants with between 60 and 100% of cells producing the recombinant protein of interest, in as little as 3 weeks, that can then be used for whole population sequencing or individual clone analysis. Utilizing this new vector and high-throughput screening (HTS) process resulted in an order of magnitude improvement over existing methods, which normally produced under 1% of algae transformants expressing the protein of interest. This process can be applied to other algal strains and recombinant proteins to enhance screening efficiency, thereby speeding up the discovery and development of algal-derived recombinant protein products. Key points • A protein expression vector using double-antibiotic resistance genes was designed • Double antibiotic selection causes fewer colonies with more positive for phenotype • Coupling the new vector with FACS improves microalgal screening efficiency > 60%

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

The first ensemble of kilometer-scale simulations of a hydrological year over the third pole

An accurate understanding of the current and future water cycle over the Third Pole is of great societal importance, given the role this region plays as a water tower for densely populated areas downstream. An emerging and promising approach for skillful climate assessments over regions of complex terrain is kilometer-scale climate modeling. As a foundational step towards such simulations over the Third Pole, we present a multi-model and multi-physics ensemble of kilometer-scale regional simulations for the hydrological year of October 2019 to September 2020. The ensemble consists of 13 simulations performed by an international consortium of 10 research groups, configured with a horizontal grid spacing ranging from 2.2 to 4 km covering all of the Third Pole region. These simulations are driven by ERA5 and are part of a Coordinated Regional Climate Downscaling EXperiment Flagship Pilot Study on Convection-Permitting Third Pole. The simulations are compared against available gridded and in-situ observations and remote-sensing data, to assess the performance and spread of the model ensemble compared to the driving reanalysis during the cold and warm seasons. Although ensemble evaluation is hindered by large differences between the gridded precipitation datasets used as a reference over this region, we show that the ensemble improves on many warm-season precipitation metrics compared with ERA5, including most wet-day and hour statistics, and also adds value in the representation of wet spells in both seasons. As such, the ensemble will provide an invaluable resource for future improvements in the process understanding of the hydroclimate of this remote but important region.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

D-Band EPR and ENDOR Spectroscopy of 15 N-Labeled Photosystem I

For billions of years, nature has optimized the photosynthetic machinery that converts light energy into chemical energy. Key primary reactions of photosynthesis occur in large membrane protein-cofactor complexes. The light-induced sequential electron transfer reactions occur through a chain of donor/acceptor cofactors embedded in the protein matrix resulting in a long-lived transmembrane charge-separated state. EPR is the method of choice to study electron transfer and the interaction of protein environment with redox-active cofactors. However, the spectra of organic cofactor radicals typically are not fully resolved and severely overlap at conventional X-band EPR. Even at Q-band EPR, this overlap is present and often a serious problem. As a result, there is a large variation of the reported EPR data and limited understanding of electronic structures of several redox-active cofactors. These serious problems can often be overcome by the excellent spectral resolution provided by high-frequency EPR (HF EPR). In this work, we study the electronic structure of the primary electron donor P 700 and the secondary electron acceptor A 1 of Photosystem I (PSI) using 130 GHz (D-band) EPR and Electron-Nuclear-Double-Resonance (ENDOR) spectroscopy. PSI was isotopically labeled with 15 N (I = $\frac{1/2}$) to avoid quadrupolar interactions in the most abundant nitrogen isotope 14 N (I = 1) and simplify the ENDOR spectra. ENDOR spectroscopy is central for determining the hyperfine coupling of nitrogen atoms of the two chlorophyll molecules comprising oxidized P 700 and the involvement of protein nitrogen atoms with reduced A 1 . While HF ENDOR of A 1 - allows identification of two nitrogen atoms, HF ENDOR of P 700 + still does not permit unique assignment of the recorded hyperfine couplings.

15N↗