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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Grain Boundary Plane Measurement Using Transmission Electron Microscopy Automated Crystallographic Orientation Mapping for Atom Probe Tomography Specimens

Abstract Grain boundaries are critical in determining the properties of materials, including mechanical stability, conductivity, and corrosion resistance. The specific properties of materials depend not only on the misorientation of the crystals, the three most commonly characterized parameters, but also on the angle of the grain boundary plane between the two crystals, the final two parameters in the five-parameter macroscopic description of the grain boundary. The method presented here allows for the direct measurement of all five parameters of the grain boundary in a transmission electron microscopy specimen of various morphologies. This is especially applicable to atom probe specimens, where only a single-tilt axis is generally available, allowing the crystallographic description to be matched to the detailed chemical data available in the atom probe tomography. This method provides a platform for efficient grain boundary analysis in unique samples, saving operator time and allowing for ease of acquisition and interpretation in comparison with traditional electron diffraction methods.

Materials Science↗
DOE OSTI2022

Successive neutron alignments in the yrast, negative-parity band of oblate-deformed Tl 199

The negative-parity band structure built on the proton h 9/2 state in 199 Tl has been established up to an excitation energy of 7 MeV and spin of (51/2) ℏ. The level scheme has been extended with the inclusion of fourteen new transitions de-exciting levels at high spin. The ΔI = 1 γ rays are found to be more prominently visible in the spectra when comparing to Δ I = 2 transitions. Rotation alignments are evident at frequencies of 0.22 and 0.30 MeV with both being attributed to the breaking of pairs of neutrons in the i 13/2 subshell. Since 199 Tl is expected to have weak oblate deformation, and lies in a transitional region where competing contributions to the spin are expected from collective rotation and the angular momentum of high-j nucleons, calculations using both the principal axis cranking (PAC) and tilted axis cranking (TAC) formalisms have been performed to understand its structure. Both the PAC and TAC calculations are found to provide a satisfactory description of the evolution of excitation energies with spin. The PAC calculations give a good account of the experimental crossing frequencies and associated spins. Furthermore, the structure of the yrast, negative-parity band in 199 Tl may be primarily understood in terms of the collective rotation of a moderately deformed oblate nucleus, along with contributions to the angular momentum from two pairs of rotation-aligned i 13/2 neutrons.

190 ≤ A ≤ 219↗
DOE OSTI2021

High-field spin-flop state in green dioptase

The high-field magnetic properties and magnetic order of the gem mineral green dioptase Cu 6 [Si 6 O 18 ] .6 H 2 O have been studied by means of single-crystal neutron diffraction in magnetic fields up to 21 T and magnetization measurements up to 30 T. In zero field, the Cu 2+ moments in the antiferromagnetic chains are oriented along the c axis with a small off-axis tilt. For a field applied parallel to the c axis, the magnetization shows a spin-flop-like transition at B*=12.2 T at 1.5 K. Neutron diffraction experiments show a smooth behavior in the intensities of the magnetic reflections without any change in the periodicity of the magnetic structure. Bulk and microscopic observations are well described by a model of ferromagnetically coupled antiferromagnetic X X Z spin-$\frac{1}{2}$ chains, taking into account a change of the local easy-axis direction. We demonstrate that the magnetic structure evolves smoothly from a deformed Néel state at low fields to a deformed spin-flop state in a high field via a strong crossover around B*. The results are generalized for different values of interchain coupling and spin anisotropy.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Deformation of Néel-type skyrmions revealed by Lorentz transmission electron microscopy

Néel-type magnetic skyrmions in multilayers are promising candidates for ultra-low power spintronic devices. To image the Néel-type skyrmions using Lorentz transmission electron microscopy (L-TEM), the samples must be tilted. Thus, the external magnetic field consists of both in-plane and out-of-plane components. To date, it is still not well known on the effect of the in-plane magnetic field on the L-TEM images, leading to ambiguities in retrieving the structure of Néel-type skyrmions. Here, Néel-type skyrmions in three [Pt/Co/Ta]$_{20}$ multilayer samples, with the easy magnetization axis being tuned from the out-of-plane to the in-plane direction by increasing the Co thickness from 1.8 to 2.2 nm, are imaged. When using a smaller defocus value (-2 mm) and a higher magnification (×9100) of L-TEM, a surprising dark-bright-dark-bright double contrasted pattern, instead of the previously reported dark-bright contrasted pattern, is observed. The additional dark-bright contrasted pattern becomes more evident for thicker Co layer samples in which the magnetization axis tilts more toward the in-plane direction. Further analysis, via a combination of magnetic force microscopy experiments, micromagnetic simulations, and micromagnetic analysis to Lorentz TEM simulation, shows that the additional dark-bright features originate from the deformation of the Néel-type skyrmions within an in-plane magnetic field.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Probing degradation at solid-state battery interfaces using machine-learning interatomic potential

Solid-state batteries featuring fast ion-conducting solid electrolytes are promising next-generation energy storage technologies, yet challenges remain for practical deployment due to electro-chemo-mechanical instabilities at solid-solid interfaces. These interfaces, which include homogeneous/internal interfaces such as grain boundaries (GBs) and heterogeneous/external interfaces between solid-electrolyte and electrode materials, can impede Li-ion transport, deteriorate performance, and eventually lead to cell failure. Here, in this study, we leverage large-scale molecular simulations, enabled by validated machine-learning interatomic potentials, to directly probe the onset of interfacial degradation at the garnet Li 7 La 3 Zr 2 O 12 (LLZO) solid-electrolyte/LiCoO 2 (LCO) cathode interface. By surveying different interfacial geometries and compositions, it is found that Li-deficient interfaces can lead to severe interfacial disordering with cation mixing and Co interdiffusion from LCO into LLZO. By contrast, Li-sufficient interfaces are less disordered, although elemental segregation with local ordering is observed. As a consequence of Co interdiffusion, Co-rich regions are formed at the GBs of LLZO due to cation segregation and trapping effects. This behavior is independent of the GB tilting axis, degree of disorder at the GBs, and Co concentration, which implies Co clustering at GBs is a general phenomenon in polycrystalline LLZO and can dictate its overall transport and mechanical properties. Our findings elucidate the underlying fundamental mechanisms that give rise to experimentally observed physicochemical properties and provide guidelines for interface design that can mitigate interfacial degradation and improve cycling performance.

25 ENERGY STORAGE↗
DOE OSTI2021

Minimizing Crinkling of Soft Specimens Using Holey Gold Films on Molybdenum Grids for Cryogenic Electron Microscopy

We introduce a novel composite holey gold support that prevents cryo-crinkling and reduces beam-induced motion of soft specimens, building on the previously introduced all-gold support. The composite holey gold support for high-resolution cryogenic electron microscopy of soft crystalline membranes was fabricated in two steps. In the first step, a holey gold film was transferred on top of a molybdenum grid. In the second step, a continuous thin carbon film was transferred onto the holey gold film. This support (Au/Mo grid) was used to image crystalline synthetic polymer membranes. The low thermal expansion of Mo is not only expected to avoid cryo-crinkling of the membrane when the grids are cooled to cryogenic temperatures, but it may also act to reduce whatever crinkling existed even before cooling. Here, the Au/Mo grid exhibits excellent performance with specimens tilted to 45°. This is demonstrated by quantifying beam-induced motion and differences in local defocus values. In addition, images of specimens on the Au/Mo grids that are tilted at 45° show high-resolution information of the crystalline membranes that, after lattice-unbending, extends beyond 1.5 Å in the direction perpendicular to the tilt axis.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Octupole correlations near Te 110

The lifetime of the 2 + and 9 – , 11 – , 13 – , 15 – states in the neutron-deficient 110 Te was measured for the first time using the recoil distance Doppler shift technique. The reported value of the reduced transition probability B(E2; $0$$^{+}_{g.s}$ → 2 + ) = 4.3(8) × 10 3 e 2 fm 4 supports the systematic for even-mass Te isotopes and was interpreted in the framework of the large-scale shell model and cranked shell model calculations. The measured reduced transition probabilities in the negative-parity yrast band revealed the upward trend towards the high spins. Furthermore, the enhanced collectivity is discussed in terms of the tilted axis cranking approach and the symmetry configuration mixing method with the Gogny D1S interaction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Crystal structure of an RNA/DNA strand exchange junction

Short segments of RNA displace one strand of a DNA duplex during diverse processes including transcription and CRISPR-mediated immunity and genome editing. These strand exchange events involve the intersection of two geometrically distinct helix types—an RNA:DNA hybrid (A-form) and a DNA:DNA homoduplex (B-form). Although previous evidence suggests that these two helices can stack on each other, it is unknown what local geometric adjustments could enable A-on-B stacking. Here we report the X-ray crystal structure of an RNA-5′/DNA-3′ strand exchange junction at an anisotropic resolution of 1.6 to 2.2 Å. The structure reveals that the A-to-B helical transition involves a combination of helical axis misalignment, helical axis tilting and compression of the DNA strand within the RNA:DNA helix, where nucleotides exhibit a mixture of A- and B-form geometry. These structural principles explain previous observations of conformational stability in RNA/DNA exchange junctions, enabling a nucleic acid architecture that is repeatedly populated during biological strand exchange events.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Canted antiferromagnetism in the quasi-one-dimensional iron chalcogenide BaFe 2 Se 4

We report the synthesis and physical properties studies of quasi-one-dimensional (quais-1D) iron chalcogenide BaFe 2 Se 4 which shares the FeSe 4 tetrahedra building motif commonly seen in the iron chalcogenide superconductors. A high-quality polycrystalline sample was achieved by solid-state reaction method and characterized by x-ray diffraction, electrical resistivity, magnetic susceptibility, and neutron diffraction measurements. BaFe 2 Se 4 is a narrow gap semiconductor that magnetically orders at ~310 K. Therefore, both neutron powder diffraction results and isothermal M-H loops suggest a canted antiferromagnetic structure where Fe sublattices are antiferromagnetically ordered along the c-axis quasi-1D chain direction, resulting in a net ferromagnetic moment in the perpendicular direction along the a axis with tilted angle of 18.7° towards the b axis.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Correcting Diamagnetic-Loop Measurements for Beam Corkscrew Motion

Diamagnetic loops (DML) are used as a non-invasive method for measurements of beam size in electron beam accelerators that use solenoidal magnetic transport. The loop fundamentally measures the magnetic flux excluded by a diamagnetic object. One of the sources of background in these measurements is the flux produced by a straight filamentary current that is offset from the axis and tilted in the plane orthogonal to the offset. This was only a small effect in our experiments, because the beam was steered to be centered on average at the DML. However, we devoted some time to understanding and quantifying the effect, and we recount that effort in this report.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Earth as an Exoplanet. I. Time Variable Thermal Emission Using Spatially Resolved Moderate Imaging Spectroradiometer Data

Among the more than 4000 exoplanets known today, some terrestrial planets have been detected in the so-called habitable zone of their host stars and their number is expected to increase in the near future, energizing a drive to understand and interpret the eagerly awaited wealth of data to identify signs of life beyond our solar system. So far, Earth remains the best and only example of a habitable (and inhabited) world. Although, it seems extremely unlikely that any other exoplanets will be true Earth twins, it is important to explore and understand the full range of spectral signatures and variability of Earth in order to inform the design of future instruments and missions, and understand their diagnostic power as well as potential limitations. In this work we use Earth observation data collected by the MODIS instrument aboard the Aqua satellite. The complete data set comprises 15 years of thermal emission observations in the 3.66–14.40 μm range for five different locations on Earth (Amazon Rainforest, Antarctica, Arctic, Indian Ocean, and the Sahara Desert). We then determine flux levels and variations as a function of wavelength and surface type (i.e., climate zone and surface thermal properties) and investigate whether periodic signals indicating Earth’s tilted rotation axis can be detected. Our findings suggest that (1) viewing geometry plays an important role when thermal emission data is analyzed as Earth’s spectrum varies by a factor of three and more depending on the dominant surface type underneath; (2) typically strong absorption bands from CO 2 (15 μm) and O 3 (9.65 μm) are significantly less pronounced and partially absent in data from the polar regions implying that estimating correct abundance levels for these molecules might be challenging in these cases; and (3) the time-resolved thermal emission spectrum encodes information about seasons/planetary obliquity, but the significance depends on the viewing geometry and spectral band considered.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Sum frequency generation (SFG) microscopy analysis of cellulose microfibrils in Physcomitrium patens gametophore leaf

Physcomitrium patens is a good model system to study the structure and function relationships of cellulose synthase (CESA) proteins since the life cycle of moss is short and genetic modification is relatively easy. Here, we report a microscopic sum frequency generation (SFG) vibrational spectroscopy analysis of P. patens leaves in a never-dried and fully hydrated state. Using imaging-SFG spectroscopy, cellulose microfibril (CMF) organization in the midrib, laminar, and marginal regions of the gametophore leaf were analyzed separately. The azimuth angle dependence of SFG signals showed that CMFs in the thick stereid cell walls in the midrib are highly aligned along the microfibril angle of ~ 30° with respect to the midrib axis. CMFs in the marginal cell walls also are preferentially tilted toward the longitudinal axis of leaf with the characteristic features of secondary cell walls. On the other hand, CMFs in the lamina cell walls have no preferential orientation and their SFG intensity is low, which is consistent with the primary cell wall property. Finally, the thick walls and highly aligned CMFs in the midrib and marginal cells of P. patens leaves are consistent with their support function.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Continuous sensor suite measurements of weather, energy, soil and flux at four PumpHouse sites at the East River, Colorado

The purpose of this package is to monitor energy and water fluxes using a comprehensive set of sensors integrated on a tripod set up at 4 locations at the East River watershed in Colorado in the Upper Colorado River Basin as part of the Scientific Focus Area (SFA) research led by the Lawrence Berkeley National Lab (LBNL). This is a continuous sensor suite measurements of weather, energy, soil and flux at four East River pumphouse sites (ER-PHS1, ER-PHS2, ER-PHS3 and ER-PHS4) include: (1) soil CO2 concentration, CO2 flux and heat flux from soil surface; (2) photosynthetic active radiation flux at 1 m; (3) incoming/outcoming short and long wave radiation at 1 m, and user calculated net short and long wave radiation; (4) oxygen concentration and surface infrared temperature; (5) soil volumetric water content, temperature, and electrical conductivity at 10, 30, 60, 115 cm depth 115 cm depth; (6) soil matric potential and temperature at 30 cm depth; (7) incoming short wave radiation at 3 m height; (8) rainfall precipitation; (9) lightning strikes and strike distances; (10) wind direction and speed, maximum wind gust at 3 m; (11) air temperature, vapor pressure and barometric pressure at 3 m; (12) X _axis_level and Y_axis_level_(degree), tilt of the ATMOS 41 sensor; (13) maximum rainfall rate; (14) relative humidity sensor temperature at 3 m; (15) internally calculated vapor pressure deficit at 3 m with vapor pressure, relative humidity and sensor temperature measurements; (16) user calculated vapor pressure.These datasets contain data from Oct 11 2019 to March 20, 2020, and new datasets will be updated on annual basis. Files uploaded in Excel and Word, with copies in csv and pdf format.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Shading and Energy Impacts for Farmer-Friendly Agrivoltaics Arrays

When designing agrivoltaic solar arrays, farmers’ natural row tilling directions might be reasonable choices for array alignment, especially in cases where the tilling direction helps prevent soil erosion or has other benefits for the farmer’s operations. We examined the light field and energy production effects when installing arrays that have azimuth values that deviate from the typical ideal for three important array types: fixed-tilt, single-axis tracking, and vertical bifacial arrays. On a fractional annual energy production basis, though, all three array types lose very little output when rotated away from their ideal. This offers farmers and solar developers a wider range of system design to possibly align solar array rows with the farmer’s preferred tilling directions.

14 SOLAR ENERGY↗
DOE OSTI2024

Advantages and Disadvantages of Vertical Solar Racking for Agrivoltaic Systems

Vertical bifacial systems can provide benefits for agriculture compared to conventional solar farm designs, but gaps remain in understanding key features related to vegetative shading, electricity production, and microclimate. This study evaluates the advantages and disadvantages of vertical bifacial systems for agrivoltaics compared to traditional fixed tilt and single axis tracking (SAT) designs based on solar radiation data from the Northeastern US.

Williams, Henry J↗
DOE OSTI2022

Magnetic Structure and Spin Fluctuation in Colossal Magnetoresistance Ferrimagnet Mn 3 Si 2 Te 6

The ferrimagnetic insulator Mn 3 Si 2 Te 6 , which features a Curie temperature T c at 78 K and a delicate yet consequential magnetic frustration, exhibits colossal magnetoresistance (CMR) when the magnetic field is applied along the magnetic hard axis, surprisingly inconsistent with existing precedents [Y. Ni, H. Zhao, Y. Zhang, B. Hu, I. Kimchi, and G. Cao, Phys. Rev. B 103, L161105 (2021)]. This discovery motivates a thorough single-crystal neutron diffraction study in order to gain insights into the magnetic structure and its hidden correlation with the new type of CMR. Here we report a noncollinear magnetic structure below the T c where the moments lie predominantly within the basal plane but tilt toward the c axis by ≈10° at ambient conditions. A substantial magnetic diffuse scattering decays slowly and persists well above the T c . The evolution of the spin correlation lengths agrees well with the electrical resistivity, underscoring the role of spin fluctuation contributing to the magnetoresistivity near the transition. Further, application of magnetic field along the c axis renders a swift occurrence of CMR but only a slow tilting of the magnetic moments toward the c axis. The unparalleled changes indicate a nonconsequential role of magnetic polarization.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Quantifying Error in Photovoltaic Installation Metadata: Preprint

In this research, we quantify the level of metadata error for a fleet of 2860 photovoltaic (PV) systems, using metadata values provided by fleet owners. Using satellite imagery and time series analysis techniques available in open-source Python packages Panel-Segmentation and PVAnalytics, respectively, we evaluate the accuracy of PV system metadata such as location, azimuth, tilt, and mounting configuration (fixed tilt vs. tracking). We find that approximately 75% of provided latitude-longitude coordinates are within 190 meters of the actual solar installation. We were unable to link 7.8% of latitude-longitude coordinates to any solar installation via satellite imagery analysis. We evaluate the level of error in owner-provided mounting configuration (fixed tilt vs. single-axis tracking), finding only 8 systems with an incorrect mounting configuration. When evaluating azimuth and tilt parameters, we find that approximately 64% of the data is correct, with data for 860 systems (approximately 30%) not provided by system owners. To illustrate the importance of having correct solar metadata, we evaluate how incorrect metadata affects solar performance estimates by modeling system AC energy output at ground-truth vs. incorrect latitude-longitude coordinates, mounting configurations, and azimuth-tilt configurations. Energy output estimates can vary significantly if incorrect metadata parameters are used, with incorrect mounting configuration leading to the largest discrepancy with over 20% variation in expected energy output.

azimuth↗
DOE OSTI2024

Cold Climate Degradation: An Analysis of Double-Axis Tracked, E-W Vertical, and Fixed-Tilt Photovoltaic Deployments in Alaska

As countries around the world transition towards renewable energy, there is increasing interest in using photovoltaic (PV) technologies to help decarbonize remote northern communities due to their scalability and affordability. However, a major barrier towards large-scale adoption of PV in cold climates is performance uncertainty under extreme environmental conditions including snowfall, freeze-thaw cycles, and high wind loads. Existing literature on PV degradation rates in the North is relatively limited, with published degradation rates varying between -0.2%/year (Sweden) to -1.3%/year (Scotland). At this workshop, we will present preliminary results on the long-term performance of two diverse photovoltaic sites located in Fairbanks, Alaska at 64.8 degrees N: a monofacial Al-BSF double-axis tracking site maintained by the Cold Climate Housing Research Center (CCHRC), and a bifacial PERC/SHJ E-W vertical and south-facing fixed-tilt site maintained by the Alaska Center Energy and Power (ACEP). CCHRC data has been collected over a period of 15 years, while ACEP site data has been collected over 4 years. Using the degradation analysis tool, RdTools, we will present annual system degradation rates, seasonal performance ratio, and identify potential cold climate failure mechanisms for commercially available PV technologies. This analysis will add to existing literature by directly comparing the performance of multiple PV configurations in Alaska.

bifacial↗