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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Superconductivity in undoped BaFe 2 As 2 by tetrahedral geometry design

Fe-based superconductors exhibit a diverse interplay between charge, orbital, and magnetic ordering. Variations in atomic geometry affect electron hopping between Fe atoms and the Fermi surface topology, influencing magnetic frustration and the pairing strength through changes of orbital overlap and occupancies. Here, we experimentally demonstrate a systematic approach to realize superconductivity without chemical doping in BaFe 2 As 2 , employing geometric design within an epitaxial heterostructure. We control both tetragonality and orthorhombicity in BaFe 2 As 2 through superlattice engineering, which we experimentally find to induce superconductivity when the As−Fe−As bond angle approaches that in a regular tetrahedron. This approach to superlattice design could lead to insights into low-dimensional superconductivity in Fe-based superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Estimating biotic integrity to capture existence value of freshwater ecosystems

The US Environmental Protection Agency (EPA) uses a water quality index (WQI) to estimate benefits of proposed Clean Water Act regulations. The WQI is relevant to human use value, such as recreation, but may not fully capture aspects of nonuse value, such as existence value. Here, we identify an index of biological integrity to supplement the WQI in a forthcoming national stated preference survey that seeks to capture existence value of streams and lakes more accurately within the conterminous United States (CONUS). We used literature and focus group research to evaluate aquatic indices regularly reported by the EPA’s National Aquatic Resource Surveys. We chose an index that quantifies loss in biodiversity as the observed-to-expected (O/E) ratio of taxonomic composition because focus group participants easily understood its meaning and the environmental changes that would result in incremental improvements. However, available datasets of this index do not provide the spatial coverage to account for how conditions near survey respondents affect their willingness to pay for its improvement. Therefore, we modeled and interpolated the values of this index from sampled sites to 1.1 million stream segments and 297,071 lakes across the CONUS to provide the required coverage. The models explained 13 to 36% of the variation in O/E scores and demonstrate how modeling can provide data at the required density for benefits estimation. We close by discussing future work to improve performance of the models and to link biological condition with water quality and habitat models that will allow us to forecast changes resulting from regulatory options.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Outsourced hearing in an orb-weaving spider that uses its web as an auditory sensor

Hearing is a fundamental sense of many animals, including all mammals, birds, some reptiles, amphibians, fish, and arthropods. The auditory organs of these animals are extremely diverse in anatomy after hundreds of millions of years of evolution, yet all are made up of cellular tissue and are morphologically part of the bodies of animals. Here, we show that hearing in the orb-weaving spider Larinioides sclopetarius is not constrained by the organism’s body but is extended through outsourcing hearing to its extended phenotype, the proteinaceous, self-manufactured orb web. We find that the wispy, wheel-shaped orb web acts as a hyperacute acoustic antenna to capture the sound-induced air particle movements that approach the maximum physical efficiency better than the acoustic responsivity of all previously known eardrums. By sensing the motion of web threads, the spider remotely detects and localizes the source of an incoming airborne acoustic wave, such as those emitted by approaching prey or predators. By outsourcing its acoustic sensors to its web, the spider is released from body size constraints and permits the araneid spider to increase its sound-sensitive surface area enormously, up to 10,000 times greater than the spider itself. The spider also enables the flexibility to functionally adjust and regularly regenerate its external "eardrum" according to its needs. The outsourcing and supersizing of auditory function in spiders provides unique features for studying extended and regenerative sensing and designing novel acoustic flow detectors for precise fluid dynamic measurement and manipulation.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Anthropogenic climate change impacts exacerbate summer forest fires in California

Record-breaking summer forest fires have become a regular occurrence in California. Observations indicate a fivefold increase in summer burned area (BA) in forests in northern and central California during 1996 to 2021 relative to 1971 to 1995. While the higher temperature and increased dryness have been suggested to be the leading causes of increased BA, the extent to which BA changes are due to natural variability or anthropogenic climate change remains unresolved. Here, we develop a climate-driven model of summer BA evolution in California and combine it with natural-only and historical climate simulations to assess the importance of anthropogenic climate change on increased BA. Our results indicate that nearly all the observed increase in BA is due to anthropogenic climate change as historical model simulations accounting for anthropogenic forcing yield 172% (range 84 to 310%) more area burned than simulations with natural forcing only. We detect the signal of combined historical forcing on the observed BA emerging in 2001 with no detectable influence of the natural forcing alone. In addition, even when considering fuel limitations from fire-fuel feedbacks, a 3 to 52% increase in BA relative to the last decades is expected in the next decades (2031 to 2050), highlighting the need for proactive adaptations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Genome editing in plants using the compact editor CasΦ

Clustered regularly interspaced short palindromic repeats and CRISPR-associated proteins (CRISPR-Cas) systems have been developed as important tools for plant genome engineering. Here, we demonstrate that the hypercompact CasΦ nuclease is able to generate stably inherited gene edits in Arabidopsis, and that CasΦ guide RNAs can be expressed with either the Pol-III U6 promoter or a Pol-II promoter together with ribozyme mediated RNA processing. Using the Arabidopsis fwa epiallele, we show that CasΦ displays higher editing efficiency when the target locus is not DNA methylated, suggesting that CasΦ is sensitive to chromatin environment. Importantly, two CasΦ protein variants, vCasΦ and nCasΦ, both showed much higher editing efficiency relative to the wild-type CasΦ enzyme. Consistently, vCasΦ and nCasΦ yielded offspring plants with inherited edits at much higher rates compared to WTCasΦ. Extensive genomic analysis of gene edited plants showed no off-target editing, suggesting that CasΦ is highly specific. The hypercompact size, T-rich minimal protospacer adjacent motif (PAM), and wide range of working temperatures make CasΦ an excellent supplement to existing plant genome editing systems.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Atomic ionization: sd energy imbalance and Perdew–Zunger self-interaction correction energy penalty in 3d atoms

To accurately describe the energetics of transition metal systems, density functional approximations (DFAs) must provide a balanced description of s- and d- electrons. One measure of this is the sd transfer error, which has previously been defined as E ( 3 d n − 1 4 s 1 ) − E ( 3 d n − 2 4 s 2 ) . Theoretical concerns have been raised about this definition due to its evaluation of excited-state energies using ground-state DFAs. A more serious concern appears to be strong correlation in the 4s 2 configuration. Here, we define a ground-state measure of the sd energy imbalance, based on the errors of s- and d-electron second ionization energies of the 3d atoms, that effectively circumvents the aforementioned problems. We find an improved performance as we move from the local spin density approximation (LSDA) to the Perdew-Burke-Ernzerhof (PBE) generalized gradient approximation (GGA) to the regularized and restored Strongly Constrained and Appropriately Normed (r 2 SCAN) meta-GGA for first-row transition metal atoms. However, we find large (∼2 eV) ground-state sd energy imbalances when applying a Perdew–Zunger 1981 self-interaction correction. This is attributed to an “energy penalty” associated with the noded 3d orbitals. A local scaling of the self-interaction correction to LSDA results in a balance of s- and d-errors.

Science & Technology - Other Topics↗
DOE OSTI2025

Reply to Smith and Siegel: Most lithium hops in paddlewheel-claimed conductors occur without spatially and temporally correlated anion-group rotations

We appreciate the engagement from Smith and Siegel on the topic of the “paddlewheel effect” and are pleased to see alignment regarding the absence of a paddlewheel effect, in which large-angle anion-group rotations directly propel lithium hops. In our paper, we clearly state the ambiguity surrounding the term “paddlewheel” to describe lithium transport. We believe that science is not well served by this vague term or its regular redefinition which is why we distinguish three types of anion-group rotation events: large-angle rotations (n-fold rotation returning to a rotationally invariant configuration), librations (e.g., rotational vibrations), and static changes of orientation in response to the change of Li occupancy. Here, we directly evaluate the spatial and temporal correlation between such polyanion rotations and Li hops.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Experimental and theoretical evidence of universality in superfluid vortex reconnections

The minimum separation between reconnecting vortices in fluids and superfluids obeys a universal scaling law with respect to time. The prereconnection and the postreconnection prefactors of this scaling law are different, a property related to irreversibility and to energy transfer and dissipation mechanisms. In the present work, we determine the temperature dependence of these prefactors in superfluid helium from experiments and a numeric model which fully accounts for the coupled dynamics of the superfluid vortex lines and the thermal normal fluid component. At all temperatures, we observe a pre- and postreconnection asymmetry similar to that observed in other superfluids and in classical viscous fluids, indicating that vortex reconnections display a universal behavior independent of the small-scale regularizing dynamics. We also numerically show that each vortex reconnection event represents a sudden injection of energy in the normal fluid. Finally we argue that in a turbulent flow, these punctuated energy injections can sustain the normal fluid in a perturbed state, provided that the density of superfluid vortices is large enough.

Reconnections↗
DOE OSTI2020

Ground state wave functions for single-band Hubbard models from the Gutzwiller conjugate gradient minimisation theory

The Gutzwiller conjugate gradient minimisation (GCGM) theory is an ab initio quantum many-body theory for computing the ground-state properties of infinite systems. Previous applications of GCGM provides satisfying accuracy of ground-state energy of Hubbard models. In the current work, we address the problem of whether the obtained wave function is a good approximation for the true ground state by comparing the correlation functions with the benchmark data. Additionally, our results confirms the accuracy of the reproduced ground state of the regular Hubbard model, but with some exception for the frustrated Hubbard model.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

In-Canal Assay of High Specific Activity 60 Co at the Advanced Test Reactor

Production of high specific activity (HSA) 60 Co has recently resumed at the Advanced Test Reactor (ATR) at the Idaho National Laboratory. The technical steps of performing in-canal assay of HSA 60 Co targets at the ATR are described herein. The HSA targets are assayed on a regular basis, between cycles at the ATR, in order to assess the progress of activation. The targets are also assayed at the conclusion of the irradiation in order to provide activity estimates for the distributor and to be used for safety and shipping evaluations. These target assay activities must take place in the ATR canal to provide sufficient radiological shielding. Furthermore, a specialized assay fixture is used in conjunction with custom 60 Co radiation standards to assess the irradiated target. The specific activity of each irradiated target was determined by first measuring the 60 Co standards to determine a sensitivity factor. Then, each irradiated target was measured, and the integrated measurement was multiplied by the sensitivity factor to determine the total activity of the irradiated target. Finally, a correction factor was determined to adjust the reported activity, accounting for differences in the physical geometries of the standards and targets. These methods were used to accurately assay the gross activity of nine irradiated 60 Co targets, two of which were delivered to the distributor where confirmatory hot-cell assays were performed verifying the accuracy of the in-canal assay method.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2025

Personalized Tucker Decomposition: Modeling Commonality and Peculiarity on Tensor Data

In this paper, we propose a personalized Tucker decomposition (perTucker) to address the limitations of traditional tensor decomposition methods in capturing heterogeneity across different datasets. perTucker decomposes tensor data into shared global components and personalized local components. We introduce an order orthogonality assumption and develop a proximal gradient regularized block coordinate descent algorithm guaranteed to converge to a stationary point. The unique and common representations learned by perTucker reveal intrinsic statistical patterns in data and provide valuable information for a wide range of downstream analytics, including anomaly detection, source classification, and clustering. We demonstrate perTucker’s effectiveness through a simulation study and two case studies on solar flare detection and tonnage signal classification.

14 SOLAR ENERGY↗
DOE OSTI2020

On the Derivation of Quasi-Newton Formulas for Optimization in Function Spaces

Newton’s method is usually preferred when solving optimization problems due to its superior convergence properties compared to gradient-based or derivative-free optimization algorithms. However, deriving and computing second-order derivatives needed by Newton’s method often is not trivial and, in some cases, not possible. In such cases quasi-Newton algorithms are a great alternative. In this paper, we provide a new derivation of well-known quasi-Newton formulas in an infinite-dimensional Hilbert space setting. Furthermore, it is known that quasi-Newton update formulas are solutions to certain variational problems over the space of symmetric matrices. In this paper, we formulate similar variational problems over the space of bounded symmetric operators in Hilbert spaces. By changing the constraints of the variational problem we obtain updates (for the Hessian and Hessian inverse) not only for the Broyden-Fletcher-Goldfarb-Shanno (BFGS) quasi-Newton method but also for Davidon–Fletcher–Powell (DFP), Symmetric Rank One (SR1), and Powell-Symmetric-Broyden (PSB). In addition, for an inverse problem governed by a partial differential equation (PDE), we derive DFP and BFGS “structured” secant formulas that explicitly use the derivative of the regularization and only approximates the second derivative of the misfit term. We show numerical results that demonstrate the desired mesh-independence property and superior performance of the resulting quasi-Newton methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Semiclassical dynamics of Hawking radiation

Here, we consider gravity in 3+1 spacetime dimensions coupled to N scalar matter fields in a semiclassical limit where $N\to\infty$. The dynamical evolution of a black hole including the back-reaction of the Hawking radiation on the metric is formulated as an initial-value problem. The quantum stress-energy tensor is evaluated using a point-splitting regularization along spacelike geodesics. To account for the quantum entanglement of the matter fields, they are treated as a set of bilocal collective fields defined on spacelike hypersurfaces. The resulting semiclassical field equations include terms up to fourth order in derivatives that can be treated in a perturbative $\hbar$ expansion. The formulation we arrive at should be amenable to numerical simulation of time-dependent semiclassical spacetime.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Microfluidic cells for the 1–10 2 MPa pressure range

Thin membrane-delimited fluid cells supporting up to 1 at (0.1 MPa) of pressure are well known and commercially available for use in vacuum chambers of electron, photon, or various particle beam microscopies or spectroscopies. Hereby, we report on the development of fluid cells capable of working at 1–10 MPa, extending the analysis domain for investigating chemical, biochemical, or physical processes at pressures of interest in chemical synthesis, underwater biochemistry studies or underground geology. We explored ways to optimize cell membranes to better resist pressure beyond simply increasing the thickness or decreasing the size of the membranes, using finite element analysis and experimental validation via membrane bulging experiments and failure statistics. Fluid cell prototypes were fabricated using ∼75 nm-thick SiN x membranes, engineered to withstand 4.7 MPa (average value), compared to regular (un-engineered) membranes withstanding only 3.4 MPa (average value). The fluid cell prototypes include eight microchannels for feeding/evacuating the fluids and applying pressure into micro-reaction chambers, two electrodes for electrochemical or conduction measurements in the sample, and a possible pressure or temperature sensor, customizable for specific experiments.

hi-pressure↗
DOE OSTI2022

KATRIN: status and prospects for the neutrino mass and beyond

Abstract The Karlsruhe Tritium Neutrino (KATRIN) experiment is designed to measure a high-precision integral spectrum of the endpoint region of T 2 β decay, with the primary goal of probing the absolute mass scale of the neutrino. After a first tritium commissioning campaign in 2018, the experiment has been regularly running since 2019, and in its first two measurement campaigns has already achieved a sub-eV sensitivity. After 1000 days of data-taking, KATRIN’s design sensitivity is 0.2 eV at the 90% confidence level. In this white paper we describe the current status of KATRIN; explore prospects for measuring the neutrino mass and other physics observables, including sterile neutrinos and other beyond-Standard-Model hypotheses; and discuss research-and-development projects that may further improve the KATRIN sensitivity.

beyond standard model↗
DOE OSTI2024

Pion valence quark distribution at physical pion mass of N f = 2 + 1 + 1 lattice QCD

Abstract We present a state-of-the-art calculation of the unpolarized pion valence-quark distribution in the framework of large-momentum effective theory (LaMET) with improved handling of systematic errors as well as two-loop perturbative matching. We use lattice ensembles generated by the MILC collaboration at lattice spacinga≈ 0.09 fm, lattice volume 64 3 × 96,N f = 2 + 1 + 1 flavors of highly-improved staggered quarks and a physical pion mass. The LaMET matrix elements are calculated with pions boosted to momentumP z ≈ 1.72 GeV with high-statistics ofO(10 6 ) measurements. We study the pion PDF in both hybrid-ratio and hybrid-regularization-independent momentum subtraction (hybrid-RI/MOM) schemes and also compare the systematic errors with and without the addition of leading-renormalon resummation (LRR) and renormalization-group resummation (RGR) in both the renormalization and lightcone matching. The final lightcone PDF results are presented in the modified minimal-subtraction scheme at renormalization scaleμ= 2.0 GeV. We show that thex-dependent PDFs are compatible between the hybrid-ratio and hybrid-RI/MOM renormalization with the same improvements. We also show that systematics are greatly reduced by the simultaneous inclusion of RGR and LRR and that these methods are necessary if improved precision is to be reached with higher-order terms in renormalization and matching.

Physics↗
DOE OSTI2023

Electronic, magnetic, and structural properties of NiFeMnAl

Abstract Half-metallic Heusler compounds have been extensively studied in the recent years, both experimentally and theoretically, for potential applications in spin-based electronics. Here, we present the results of a combined theoretical and experimental study of the quaternary Heusler compound NiFeMnAl. Our calculations indicate that this material is half-metallic in the ground state and maintains its half-metallic electronic structure under a considerable range of external hydrostatic pressure and biaxial strain. NiFeMnAl crystallizes in the regular cubic Heusler structure, and exhibits ferromagnetic alignment. The practical feasibility of the proposed system is confirmed in the experimental section of this work. More specifically, a bulk ingot of NiFeMnAl was synthesized in A2 type disordered cubic structure using arc melting. It shows a high Curie temperature of about 468 K and a saturation magnetization of 2.3 μ B / f .u . The measured magnetization value is smaller than the one calculated for the ordered structure. This discrepancy is likely due to the A2 type atomic disorder, as demonstrated by our calculations. We hope that the presented results may be useful for researchers working on practical applications of spin-based electronics.

Physics↗
DOE OSTI2024

One-shot omnidirectional pressure integration through matrix inversion

In this work, we present a method to perform 2D and 3D omnidirectional pressure integration from velocity measurements with a single-iteration matrix inversion approach. This work builds upon our previous work, where the rotating parallel ray approach was extended to the limit of infinite rays by taking continuous projection integrals of the ray paths and recasting the problem as an iterative matrix inversion problem. This iterative matrix equation is now 'fast-forwarded' to the 'infinity' iteration, leading to a different matrix equation that can be solved in a single step, thereby presenting the same computational complexity as the Poisson equation. We observe computational speedups of ~10 6 when compared to brute-force omnidirectional integration methods, enabling the treatment of grids of ~10 9 points and potentially even larger in a desktop setup at the time of publication. Further examination of the boundary conditions of our one-shot method shows that omnidirectional pressure integration implements a boundary condition where the boundary points are treated as interior points to the extent that information is available. Finally, we show how the method can be extended from the regular grids typical of particle image velocimetry to the unstructured meshes characteristic of particle tracking velocimetry data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗