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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Ultrafast perturbation of magnetic domains by optical pumping in a ferromagnetic multilayer

Ultrafast optical pumping of systems with spatially nonuniform magnetic textures is known to cause far-from-equilibrium spin transport effects, such as the broadening of domain-walls. Here, we study the dynamics of labyrinth domain networks in ferromagnetic CoFe/Ni multilayers subject to a femtosecond optical pump and find an ultrafast domain dilation by 6% within 1.6 ps. This surprising result is based on the unambiguous determination of a harmonically-related shift of ultrafast magnetic X-ray diffraction for the first- and third-order rings. Domain dilation is plausible from conservation of momentum arguments, whereby inelastic scattering from a hot, quasi-ballistic, radial current transfers momentum to the magnetic domains. Our results suggest a potentially rich variety of unexpected physical phenomena associated with far-from-equilibrium inelastic electron-magnon scattering processes in the presence of spin textures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Spin magnetometry as a probe of stripe superconductivity in twisted bilayer graphene

The discovery of alternating superconducting and insulating ground states in magic angle graphene has suggested an intriguing analogy with cuprate high-T c materials. In this paper we argue that the network states of small angle twisted bilayer graphene (TBG) afford a further perspective on the cuprates by emulating their stripe-ordered phases, as in La 1.875 Ba 0.125 CuO 4 . We show that the spin and valley quantum numbers of stripes in TBG graphene fractionalize, developing characteristic signatures in the tunneling density of states and the magnetic noise spectrum of impurity spins. By examining the coupling between the charge rivers we determine the superconducting transition temperature. Our study suggests that twisted bilayer graphene can be used for a controlled emulation of stripe superconductivity and quantum sensing experiments of emergent anyonic excitations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Nanoparticle self-assemblies with modern complexity

Thanks to decades of tireless efforts, nanoparticle assemblies have reached at an extremely high level of controllability, sophistication, and complexity, with new insights provided by integration with graph theory, cutting-edge characterization, and machine learning (ML)-based computation and modeling, as well as with ever-diversifying applications in energy, catalysis, biomedicine, optics, electronics, magnetics, organic biosynthesis, and quantum technology. Nanoparticle assemblies can be crystalline, known as superlattices or supracrystals. Their assembly entails a transition from disorder—dispersed nanoparticles—to order, which can be achieved through classical nucleation pathways or nonclassical pathways via prenucleation precursors or particle aggregation. Further, the periodic lattices allow facile manipulations of electrons, phonons, photons, and even spins, leading to advanced device components and metamaterials. Meanwhile, aperiodic assemblies out of nanoparticles, such as gels, networks, and amorphous solids, also start to attract attentions. Despite the loss of periodicity, symmetry-lowering or symmetry-breaking three-dimensional (3D) structures emerge with unique properties, such as chiroptical activity, topological mechanical strength, and quantum entanglement. Real-space imaging such as electron microscopy and X-ray based tomography methods are utilized to characterize these complex structures, while mathematical tools such as graph theories are in need to describe such complex structures. This issue aims to provide a timely review of the efforts in this greatly broadened materials design space including experiment, simulation, theory, and applications. Nine top experts (and their teams) from four countries deliver six review papers, summarizing fundamental mechanistic understandings of nanoparticle assemblies, highlighted with the developments of state-of-the-art in situ characterization tools and ML-assisted reverse engineering, and newly emergent applications of nanoarchitectures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Vanadium spin qubits as telecom quantum emitters in silicon carbide

Solid-state quantum emitters with spin registers are promising platforms for quantum communication, yet few emit in the narrow telecom band necessary for low-loss fiber networks. Here, we create and isolate near-surface single vanadium dopants in silicon carbide (SiC) with stable and narrow emission in the O band, with brightness allowing cavity-free detection in a wafer-scale material. In vanadium ensembles, we characterize the complex d 1 orbital physics in all five available sites in 4H-SiC and 6H-SiC. The optical transitions are sensitive to mass shifts from local silicon and carbon isotopes, enabling optically resolved nuclear spin registers. Optically detected magnetic resonance in the ground and excited orbital states reveals a variety of hyperfine interactions with the vanadium nuclear spin and clock transitions for quantum memories. Last, we demonstrate coherent quantum control of the spin state. These results provide a path for telecom emitters in the solid state for quantum applications.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Patterning Metal Grids for GaAs Solar Cells with Cracked Film Lithography: Quantifying the Cost/Performance Tradeoff

We introduce cracked film lithography (CFL) as a way to reduce the cost of III–V photovoltaics (PV). We spin-coat nanoparticle suspensions onto GaAs thin-film device stacks. The suspensions dry in seconds, forming crack networks that we use as templates through which to electroplate the solar cells’ front metal grids. For the first time, we show that heating the crack template allows it to flow and refill cracks, which decreases crack footprint and improves final grid transmittance. We demonstrate 24.7%-efficient single-junction GaAs solar cells using vacuum-free CFL grids. These devices are only 1.7% (absolute) less efficient than the baseline grids patterned by photolithography with the loss mostly resulting from the reduced transparency of the CFL pattern. Additional optimization could decrease this difference. Initial cost modeling suggests that CFL is more scalable than photolithography: In particular, CFL’s lower materials and equipment costs could greatly reduce the levelized cost of electricity of III–V PV at scale, a potential step toward terrestrial deployment.

14 SOLAR ENERGY↗
DOE OSTI2025

Laser activation of single group-IV colour centres in diamond

Abstract Spin-photon interfaces based on group-IV colour centres in diamond offer a promising platform for quantum networks. A key challenge in the field is realising precise single-defect positioning and activation, which is crucial for scalable device fabrication. Here we address this problem by demonstrating a two-step fabrication method for tin vacancy (SnV − ) centres that uses site-controlled ion implantation followed by local femtosecond laser annealing with in-situ spectral monitoring. The ion implantation is performed with sub-50 nm resolution and a dosage that is controlled from hundreds of ions down to single ions per site, limited by Poissonian statistics. Using this approach, we successfully demonstrate site-selective creation and modification of single SnV − centres. Our in-situ spectral monitoring opens a window onto materials tuning at the single defect level, and provides new insight into defect structures and dynamics during the annealing process. While demonstrated for SnV − centres, this versatile approach can be readily generalised to other implanted colour centres in diamond and wide-bandgap materials.

Science & Technology - Other Topics↗
DOE OSTI2022

Effect of localization on photoluminescence and zero-field splitting of silicon color centers

The study of defect centers in silicon has been recently reinvigorated by their potential applications in optical quantum information processing. A number of silicon defect centers emit single photons in the telecommunication O-band, making them promising building blocks for quantum networks between computing nodes. The two-carbon G-center, self-interstitial W-center, and spin-1/2 T-center are the most intensively studied silicon defect centers, yet despite this, there is no consensus on the precise configurations of defect atoms in these centers, and their electronic structures remain ambiguous. Here, in this work, we employ ab initio density functional theory to characterize these defect centers, providing insight into the relaxed structures, band structures, and photoluminescence spectra, which are compared to experimental results. Motivation is provided for how these properties are intimately related to the localization of electronic states in the defect centers. In particular, we present the calculation of the zero-field splitting for the excited triplet state of the G-center defect as the structure is linearly interpolated from the A-configuration to the B-configuration, showing a sudden increase in the magnitude of the D zz component of the zero-field-splitting tensor. By performing projections onto the local orbital states of the defect, we analyze this transition in terms of the symmetry and bonding character of the G-center defect, which sheds light on its potential application as a spin-photon interface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1991

The control network of Mercury: April 1991

Features identified on Mariner 10 high resolution images of Mercury, acquired during three flybys between 1974 and 1975, form the basis of Mercury's planetwide control network. Although images from all three flybys are used in the net, the large amount of contiguous coverage from the second flyby, a southern bright-side pass, make these images the strongest contributors to the control net. Mercury is in synchronous rotation with a period of 58.6462 days and its spin axis is approximately normal to the equatorial plane. The 20 degree meridian is defined by the crater Hun Kal, located just south of the equator. The control network computations involve the photogrammetric determination of control point coordinates and an analytical triangulation solution. The current control network computations for Mercury are performed in the J2000 coordinate system according to the International Astronomical Union (IAU) convention. In recent years, updates to the control network have included improved trajectory solutions and modification of the standard radii (2439) at several points based on Earth-based radar altimetry data. The current status of the control network calculations is presented. Improvements were made to existing control points and new control points were added to the net to strengthen the overall network and improve the standard error of measurement.

Davies, Merton E.↗
DOE OSTI2022

Dynamic heterogeneity and nanophase separation in rubber-toughened amine-cured highly cross-linked polymer networks

Solid state nuclear magnetic resonance (NMR) spectroscopy and small-to wide-angle X-ray scattering (SWAXS) methods were used to characterize the heterogeneous dynamics and polymer domain structure in rubber modified thermoset materials containing the diglycidyl ether of bisphenol A (DGEBA) epoxy resin and a mixture of Jeffamine reactive rubber and 4,4-diaminodicyclohexylmethane (PACM) amine curing agent. The polymer chain dynamics and morphologies as a function of the PACM/Jeffamine ratio were determined. Using dipolar-filtered NMR experiments, the resulting networks are shown to be composed of mobile and rigid regions that are separated on nanometer length scales, along with a dynamically immobilized interface region. Proton NMR spin diffusion experiments measured the dimensions of the mobile phase to range between 9 and 66 nm and varied with the relative PACM concentration. Solid state 13 C magic angle spinning NMR experiments show that the highly mobile phase is composed entirely of the dynamically flexible polyether chains of the Jeffamine rubber, the immobilized interface region is a mixture of DGEBA, PACM, and the Jeffamine rubber, with the PACM cross-linked to DGEBA predominantly residing in the rigid phase. The SWAXS results showed compositional nanophase separation spanning the 11–77 nm range. These measurements of the nanoscale compositional and dynamic heterogeneity provide molecular level insight into the very broad and controllable glass transition temperature distributions observed for these highly cross-linked polymer networks.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Structure of diopside, enstatite, and magnesium aluminosilicate glasses: A joint approach using neutron and x-ray diffraction and solid-state NMR

Neutron diffraction with magnesium isotope substitution, high energy x-ray diffraction, and 29 Si, 27 Al, and 25 Mg solid-state nuclear magnetic resonance (NMR) spectroscopy were used to measure the structure of glassy diopside (CaMgSi 2 O 6 ), enstatite (MgSiO 3 ), and four (MgO) x (Al 2 O 3 ) y (SiO 2 ) 1–x–y glasses, with x = 0.375 or 0.25 along the 50 mol. % silica tie-line (1 – x – y = 0.5) or with x = 0.3 or 0.2 along the 60 mol. % silica tie-line (1 – x – y = 0.6). The bound coherent neutron scattering length of the isotope 25 Mg was remeasured, and the value of 3.720(12) fm was obtained from a Rietveld refinement of the powder diffraction patterns measured for crystalline 25 MgO. The diffraction results for the glasses show a broad asymmetric distribution of Mg–O nearest-neighbors with a coordination number of 4.40(4) and 4.46(4) for the diopside and enstatite glasses, respectively. As magnesia is replaced by alumina along a tie-line with 50 or 60 mol. % silica, the Mg–O coordination number increases with the weighted bond distance as less Mg 2+ ions adopt a network-modifying role and more of these ions adopt a predominantly charge-compensating role. 25 Mg magic angle spinning (MAS) NMR results could not resolve the different coordination environments of Mg 2+ under the employed field strength (14.1 T) and spinning rate (20 kHz). The results emphasize the power of neutron diffraction with isotope substitution to provide unambiguous site-specific information on the coordination environment of magnesium in disordered materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2018

Extraction of Doppler Observables from Open-Loop Recordings for the Juno Radio Science Investigation

The goal of the Juno Gravity Science investigation is to estimate the gravitational field of Jupiter by measurement of the spacecraft velocity during periods of closest approach. Velocity is measured by the Doppler shift of dual X- and Ka-band radio links between the Juno spacecraft, in orbit around Jupiter, and the DSS-25 antenna of the Deep Space Network (DSN). During times of closest-approach, Juno experiences large dynamic ranges caused by the orbital dynamics and spin signatures caused by the spin-stabilized spacecraft that are detectable by the receivers at DSS-25. Open-loop recordings of received voltages are processed to compute Doppler observables utilized in the estimation of the gravity field. Presented is a method to process open-loop data collected by the DSN to compensate for the spin signature of the spacecraft, removal of artifacts from Doppler observables caused by the high dynamic environment, and improve performance of the digital phase-locked loop utilized in the data processing.

Buccino, Dustin R.↗
DOE OSTI2026

High-throughput Single-Cell Proteomics and Transcriptomics from the Same Cells with a Nanoliter-Scale Spin-Transfer Approach

Single-cell multiomic platforms provide a comprehensive snapshot of cellular states and cell types by offering critical insights into the spatiotemporal regulation of biomolecular networks at a systems level, thereby defining the basis of multicellularity. Here, we introduce nanoSPINS, an advanced platform that enables high-throughput profiling and integrative analysis of the transcriptome and proteome from the same single cells using RNA sequencing and isobaric labeling LC-MS-based proteomics, respectively. NanoSPINS can efficiently transfer mRNA-containing droplets across two microarrays via a centrifugation-based approach, while proteins are retained on the initial platform. Benchmarking of nanoSPINS on two cell lines demonstrates its ability to generate global proteomic and transcriptomic profiles that align well with previously established methodologies/platforms. The incorporation of isobaric TMTpro labeling into this single-cell multiomics platform significantly enhances the throughput of single-cell proteomic analyses. Through the high-throughput quantification of the proteome and transcriptome, nanoSPINS not only facilitates the identification of molecular features at both mRNA and protein level but also provides larger sample sizes for improved statistical power in clustering and differential abundance. Given the broad applicability of single-cell multiomics in biological research and clinical settings, we believe nanoSPINS represents a powerful platform for the characterization of heterogeneous cell populations.

multi 'omics↗
DOE OSTI2021

Localization dynamics in a centrally coupled system

In systems in which interactions couple a central degree of freedom and a bath, one would expect signatures of the bath's phase to be reflected in the dynamics of the central degree of freedom. This has been recently explored in connection with many-body localized baths coupled with a central qubit or a single-cavity mode - systems with growing experimental relevance in various platforms. Such models also have an interesting connection with Floquet many-body localization via quantizing the external drive, although this has been relatively unexplored. Here we adapt the multilayer multiconfigurational time-dependent Hartree (ML-MCTDH) method, a well-known tree tensor network algorithm, to numerically simulate the dynamics of a central degree of freedom, represented by a d-level system (qudit), coupled to a disordered interacting one-dimensional spin bath. ML-MCTDH allows us to reach ≈10 2 lattice sites, a far larger system size than what is feasible with exact diagonalization or kernel polynomial methods. From the intermediate time dynamics, we find a well-defined thermodynamic limit for the qudit dynamics upon appropriate rescaling of the system-bath coupling. The spin system shows similar scaling collapse in the Edward-Anderson spin-glass order parameter or entanglement entropy at relatively short times. At longer timescales, we see slow growth of the entanglement, which may arise from dephasing mechanisms in the localized system or long-range interactions mediated by the central degree of freedom. Similar signs of localization are shown to appear as well with unscaled system-bath coupling.

1-dimensional spin chains↗
DOE OSTI2025

Gapless dispersive continuum in a modulated quantum kagome antiferromagnet

The pursuit of quantum spin liquid (QSL) states in condensed matter physics has drawn attention to kagome antiferromagnets (AFM) where a two-dimensional corner-sharing network of triangles frustrates conventional magnetic orders. While quantum kagome AFMs based on Cu 2+ (3d 9 , s = 1/2) ions have been extensively studied, there is so far little work beyond copper-based systems. Here we present our bulk magnetization, specific heat and neutron scattering studies on single crystals of a new titanium fluorides Cs 8 RbK 3 Ti 12 F 48 where Ti 3+ (3d 1 , s = 1/2) ions form a modulated quantum kagome antiferromagnet that does not order magnetically down to 1.5 K. Our comprehensive map of the dynamic response function $S$($Q$,$\hslash$$\omega$) acquired at 1.5 K where the heat capacity is T-linear reveals a dispersive continuum emanating from soft lines that extend along (100). The data indicate fractionalized spinon-like excitations with quasi-one-dimensional dispersion within a quasi-two-dimensional spin system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Many-body expansion based machine learning models for octahedral transition metal complexes

Abstract Graph-based machine learning (ML) models for material properties show great potential to accelerate virtual high-throughput screening of large chemical spaces. However, in their simplest forms, graph-based models do not include any 3D information and are unable to distinguish stereoisomers such as those arising from different orderings of ligands around a metal center in coordination complexes. In this work we present a modification to revised autocorrelation descriptors, a molecular graph featurization method, for predicting spin state dependent properties of octahedral transition metal complexes (TMCs). Inspired by analytical semi-empirical models for TMCs, the new modeling strategy is based on the many-body expansion (MBE) and allows one to tune the captured stereoisomer information by changing the truncation order of the MBE. We present the necessary modifications to include this approach in two commonly used ML methods, kernel ridge regression and feed-forward neural networks. On a test set composed of all possible isomers of binary TMCs, the best MBE models achieve mean absolute errors (MAEs) of 2.75 kcal mol −1 on spin-splitting energies and 0.26 eV on frontier orbital energy gaps, a 30%–40% reduction in error compared to models based on our previous approach. We also observe improved generalization to previously unseen ligands where the best-performing models exhibit MAEs of 4.00 kcal mol −1 (i.e. a 0.73 kcal mol −1 reduction) on the spin-splitting energies and 0.53 eV (i.e. a 0.10 eV reduction) on the frontier orbital energy gaps. Because the new approach incorporates insights from electronic structure theory, such as ligand additivity relationships, these models exhibit systematic generalization from homoleptic to heteroleptic complexes, allowing for efficient screening of TMC search spaces.

Meyer, Ralf (ORCID:0000000322360261)↗
DOE OSTI2024

Unusual dynamics of tetrahedral liquids caused by the competition between dynamic heterogeneity and structural heterogeneity

Tetrahedral liquids exhibit intriguing thermodynamic and transport properties because of the various ways tetrahedra can be packed and connected. Recently, an unusual temperature dependence of the stretching exponent β in a model tetrahedral liquid ZnCl 2 from T m + 85 K to T m + 35 K has been reported using neutron-spin echo spectroscopy. This discovery stands in sharp contrast to other glass-forming liquids. In this study, we conducted neural network force field driven molecular dynamic simulations of ZnCl 2 . We found a non-monotonic temperature dependence of β from liquid to supercooled liquid temperatures. Further structural decomposition and dynamic analysis suggest that this unusual dynamic behavior is a result of the competition between the decrease in the diversity of tetrahedra motifs (structural heterogeneity) and the increase in glassy dynamic heterogeneity. Furthermore, this result may contribute to new understandings of the structural relaxation of other network liquids.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Triply-resonant sum frequency conversion with gallium phosphide ring resonators

We demonstrate quasi-phase matched, triply-resonant sum frequency conversion in 10.6-µm-diameter integrated gallium phosphide ring resonators. A small-signal, waveguide-to-waveguide power conversion efficiency of 8 ± 1.1%/mW; is measured for conversion from telecom (1536 nm) and near infrared (1117 nm) to visible (647 nm) wavelengths with an absolute power conversion efficiency of 6.3 ± 0.6%; measured at saturation pump power. For the complementary difference frequency generation process, a single photon conversion efficiency of 7.2%/mW from visible to telecom is projected for resonators with optimized coupling. Efficient conversion from visible to telecom will facilitate long-distance transmission of spin-entangled photons from solid-state emitters such as the diamond NV center, allowing long-distance entanglement for quantum networks.

42 ENGINEERING↗
NASA NTRS1979

LS47: A DSN station location set compatible with JPL development ephemeris DE108

An updated Deep Space Network station location set, LS47, is presented which is compatible with JPL Development Ephemeris DE108. Analytic procedures for linearly correcting station spin axis and longitude estimates for an ephemeris update based on Brouwer-Clemence Set III parameters are briefly discussed. The validity of this technique is demonstrated by a comparison of a linearly corrected solution with one explicitly determined by reprocessing the data. A mission data base, including Viking 1 and 2 encounter data, is first used to obtain an updated DE96 compatible station location solution, LS46, which in turn is adjusted to form the DE108 solution, LS47. Improved station Z-heights are estimated by using available very long baseline interferometry data. Spin axis differences between LS46 and LS47 are relatively insignificant; however, the ephemeris change introduces a -0.8 x 10 to the -5 power degree rotation in the DE96 longitude ephemeris.

Ellis, J.↗