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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 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Increasing the hardness of posiform planting using random QUBOs for programmable quantum annealer benchmarking

Posiform planting is a method for constructing QUBO instances with a unique planted solution that can be tailored to arbitrary connectivity graphs. In this study we investigate making posiform planted QUBOs computationally harder by fusing many smaller random Ising models, whose global minimum is computed classically, with posiform planted QUBOs. The unique ground state of the resulting QUBO is the concatenation of (exactly one of) the ground states of each smaller problem. Our method generates QUBO instances that have a unique solution, are native to the hardware graph, and have tunable computational hardness. We use our QUBOs to benchmark three D-Wave quantum annealing processors (with 563–5627 qubits), and compare them against simulated annealing and Gurobi. Surprisingly, we find that the D-Wave ground state sampling success rate is not dependent on the glued random QUBO size, and that some QUBO classes are solved at high success rates at short annealing times on the Zephyr processors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Coherent diffraction of single Rice Dwarf virus particles using hard X-rays at the Linac Coherent Light Source

Single particle diffractive imaging data from Rice Dwarf Virus (RDV) were recorded using the Coherent X-ray Imaging (CXI) instrument at the Linac Coherent Light Source (LCLS). RDV was chosen as it is a well-characterized model system, useful for proof-of-principle experiments, system optimization and algorithm development. RDV, an icosahedral virus of about 70 nm in diameter, was aerosolized and injected into the approximately 0.1 μm diameter focused hard X-ray beam at the CXI instrument of LCLS. Diffraction patterns from RDV with signal to 5.9 Ångström were recorded. Here, the diffraction data are available through the Coherent X-ray Imaging Data Bank (CXIDB) as a resource for algorithm development, the contents of which are described here.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2011

Nanofocusing of hard X-ray free electron laser pulses using diamond based Fresnel zone plates

A growing number of X-ray sources based on the free-electron laser (XFEL) principle are presently under construction or have recently started operation. The intense, ultrashort pulses of these sources will enable new insights in many different fields of science. A key problem is to provide x-ray optical elements capable of collecting the largest possible fraction of the radiation and to focus into the smallest possible focus. As a key step towards this goal, we demonstrate here the first nanofocusing of hard XFEL pulses. We developed diamond based Fresnel zone plates capable of withstanding the full beam of the world’s most powerful x-ray laser. Using an imprint technique, we measured the focal spot size, which was limited to 320 nm FWHM by the spectral band width of the source. A peak power density in the focal spot of 4×10 17 W/cm 2 was obtained at 70 fs pulse length.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Nanofabrication on unconventional substrates using transferred hard masks

Here, a major challenge in nanofabrication is to pattern unconventional substrates that cannot be processed for a variety of reasons, such as incompatibility with spin coating, electron beam lithography, optical lithography, or wet chemical steps. Here, we present a versatile nanofabrication method based on re-usable silicon membrane hard masks, patterned using standard lithography and mature silicon processing technology. These masks, transferred precisely onto targeted regions, can be in the millimetre scale. They allow for fabrication on a wide range of substrates, including rough, soft, and non-conductive materials, enabling feature linewidths down to 10 nm. Plasma etching, lift-off, and ion implantation are realized without the need for scanning electron/ion beam processing, UV exposure, or wet etching on target substrates.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Intrinsic nonlinearities in the mechanics of hard sphere suspensions

The onset of nonlinear responses in near hard sphere suspensions is characterized as a function of oscillatory frequency and strain amplitude. At low frequencies where the viscous behavior dominates, the onset of nonlinearities is driven by increases in rate of strain. At high deformation frequency, where suspension mechanics is dominated by an elastic response, the nonlinear responses occur when deformation exceeds a characteristic strain. This strain is associated with the transient confinement of particles by nearest neighbors and its volume fraction dependence is through cage parameters derived from the high frequency elastic modulus. Furthermore, the onset of nonlinear responses takes on a universal behavior when deformation frequency is normalized by the characteristic time governing the shift from viscous to elastic behavior indicating that this transition is associated with transient particle localization and is expected to be observed for all volume fractions where pair interactions are important.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Hard templating ultrathin polycrystalline hematite nanosheets: effect of nano-dimension on CO 2 to CO conversion via the reverse water-gas shift reaction

Understanding how nano-dimensionality impacts iron oxide based catalysis is central to a wide range of applications. Here, we focus on hematite nanosheets, nanowires and nanoparticles as applied to catalyze the reverse water gas shift (RWGS) probe reaction. We introduce a novel approach to synthesize ultrathin (4–7 nm) hematite nanosheets using copper oxide nanosheets as a hard template and propose a reaction mechanism based on density functional theory (DFT) calculations. Hematite nanowires and nanoparticles were also synthesized and characterized. H2 temperature programmed reduction (H2-TPR) and RWGS reactions were performed to glean insights into the mechanism of CO2 conversion to CO over the iron oxide nanomaterials and were compared to H2 binding energy calculations based on density functional theory. While the nanosheets did exhibit high CO2 conversion, 28% at 510 °C, we found that the iron oxide nanowires had the highest CO2 conversion, reaching 50% at 750 °C under atmospheric pressure. No products besides CO and H2O were detected.

Fishman, Zachary S.↗
DOE OSTI2018

Calculation of critical nucleation rates by the persistent embryo method: application to quasi hard sphere models

Here, we study the crystal nucleation of the Weeks–Chandler–Andersen (WCA) model, using the recently introduced persistent embryo method (PEM). The method provides detailed characterization of pre-critical, critical and post-critical nuclei, as well as nucleation rates that compare favorably with those obtained using other methods (umbrella sampling, forward flux sampling or seeding). We further map our results to a hard sphere model allowing comparison with other existing predictions. Implications for experiments are also discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Hard superellipse phases: particle shape anisotropy & curvature

In this work, we report computer simulations of two-dimensional convex hard superellipse particle phases vs. particle shape parameters including aspect ratio, corner curvature, and sidewall curvature. Shapes investigated include disks, ellipses, squares, rectangles, and rhombuses, as well as, shapes with non-uniform curvature including rounded squares, rounded rectangles, and rounded rhombuses. Using measures of orientational order, order parameters, and a novel stretched bond orientational order parameter, we systematically identify particle shape properties that determine liquid crystal and crystalline phases including their coarse boundaries and symmetry. We observe phases including isotropic, nematic, tetratic, plastic crystals, square crystals, and hexagonal crystals (including stretched variants). Our results catalog known benchmark shapes, but include new shapes that also interpolate between known shapes. Our results indicate design rules for particle shapes that determine two-dimensional liquid, liquid crystalline, and crystalline microstructures that can be realized via particle assembly.

42 ENGINEERING↗
DOE OSTI2026

High Purity and Reduced Defects Hard Carbon Synthesis for Sodium-Ion Batteries

Hard carbon (HC) is the state-of-the-art anode material for sodium-ion batteries; however, the high-temperature carbonization of precursors (>1100 °C) often introduces inorganic impurities, an issue that remains largely underexplored. Here, we report a simple synthesis strategy for producing high purity HC by carbonizing a cellulose-derived precursor at 1400 °C under a slightly reducing Ar–H2 atmosphere on a graphite substrate, thereby eliminating the aluminum contamination observed during conventional carbonization on an alumina substrate under Ar. In addition, the modified synthetic condition reduces surface defects and the concentration of oxygen-containing functional groups, thereby altering the interphase formation on the HC surface. At a current density of 20 mA g−1, the impurity-rich HC exhibited an initial coulombic efficiency (ICE) of 74.1% and a reversible capacity of 248.8 mAh g−1. In sharp contrast, the high purity HC delivered a significantly improved ICE of 90.1% and a reversible capacity of 345.1 mAh g−1. These results underscore the critical importance of impurity and defect control during HC synthesis and highlight the clear electrochemical advantages of high purity HC with reduced defects for sodium-ion battery anodes.

Harshita, Lohanni↗
DOE OSTI2012

Discovery of hard-spectrum γ -ray emission from the BL Lacertae object 1ES 0414+009

1ES 0414 + 009 (z = 0.287) is a distant high-frequency-peaked BL Lac object, and has long been considered a likely emitter of very-high-energy (VHE, E > 100 GeV) γ-rays due to its high X-ray and radio flux. Observations in the VHE γ-ray band and across the electromagnetic spectrum can provide insights into the origin of highly energetic particles present in the source and the radiation processes at work. Because of the distance of the source, the γ-ray spectrum might provide further limits on the level of the extragalactic background light (EBL). Methods. We report observations made between October 2005 and December 2009 with H.E.S.S., an array of four imaging atmospheric Cherenkov telescopes. Observations at high energies (HE, 100 MeV–100 GeV) with the Fermi-LAT instrument in the first 20 months of its operation are also reported. To complete the multi-wavelength picture, archival UV and X-ray observations with the Swift satellite and optical observations with the ATOM telescope are also used. Based on the observations with H.E.S.S., 1ES 0414 + 009 is detected for the first time in the VHE band. An excess of 224 events is measured, corresponding to a significance of 7.8σ. The photon spectrum of the source is well described by a power law, with photon index of ΓVHE = 3.45 ± 0.25stat ± 0.20syst. The integral flux above 200 GeV is (1.88 ± 0.20stat ± 0.38syst) × 10-12 cm-2 s-1. Observations with the Fermi-LAT in the first 20 months of operation show a flux between 200 MeV and 100 GeV of (2.3 ± 0.2stat) × 10-9 erg cm-2 s-1, and a spectrum well described by a power-law function with a photon index ΓHE = 1.85 ± 0.18. Swift/XRT observations show an X-ray flux between 2 and 10 keV of (0.8-1) × 10-11 erg cm-2 s-1, and a steep spectrum ΓX = (2.2-2.3). Combining X-ray with optical-UV data, a fit with a log-parabolic function locates the synchrotron peak around 0.1 keV. Although the GeV–TeV observations do not provide better constraints on the EBL than previously obtained, they confirm a low density of the EBL, close to the lower limits from galaxy counts. The absorption-corrected HE and VHE γ-ray spectra are both hard and have similar spectral indices (≈1.86), indicating no significant change of slope between the HE and VHE γ-ray bands, and locating the γ-ray peak in the SED above 1–2 TeV. As for other TeV BL Lac objects with the γ-ray peak at such high energies and a large separation between the two SED humps, this average broad-band SED represents a challenge for simple one-zone synchrotron self-Compton models, requiring a high Doppler factor and very low B-field.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

Boron migration due to annealing in CoFeB/MgO/CoFeB interfaces: A combined hard x-ray photoelectron spectroscopy and x-ray absorption studies

We report the hard x-ray photo-electron spectroscopy (HAXPES) and near edge x-ray absorption fine structure (NEXAFS) of CoFeB|MgO|CoFeB interfaces as a function of annealing time. Upon annealing, the oxidation state of B changes from predominantly elemental (0 valence) boron in the as deposited sample to higher oxidation in annealed samples as evident from HAXPES spectra. The NEXAFS spectroscopy results showed that upon heating, B species migrate towards the MgO and interact with it. A comparison of the tunnel junction NEXAFS signature with some standards suggests that the B forms a 3-fold coordinated boron compound in the MgO environment and 4-fold coordinated boron resembling Kotoite mineral in the CoFe/MgO interface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Theory of nonlinear elasticity, stress-induced relaxation, and dynamic yielding in dense fluids of hard nonspherical colloids

We generalize the microscopic naïve mode coupling and nonlinear Langevin equation theories of the coupled translation-rotation dynamics of dense suspensions of uniaxial colloids to treat the effect of applied stress on shear elasticity, cooperative cage escape, structural relaxation, and dynamic and static yielding. The key concept is a stress-dependent dynamic free energy surface that quantifies the center-of-mass force and torque on a moving colloid. Here, the consequences of variable particle aspect ratio and volume fraction, and the role of plastic versus double glasses, are established in the context of dense, glass-forming suspensions of hard-core dicolloids. For low aspect ratios, the theory provides a microscopic basis for the recently observed phenomenon of double yielding as a consequence of stress-driven sequential unlocking of caging constraints via reduction of the distinct entropic barriers associated with the rotational and translational degrees of freedom. The existence, and breadth in volume fraction, of the double yielding phenomena is predicted to generally depend on both the degree of particle anisotropy and experimental probing frequency, and as a consequence typically occurs only over a window of (high) volume fractions where there is strong decoupling of rotational and translational activated relaxation. At high enough concentrations, a return to single yielding is predicted. For large aspect ratio dicolloids, rotation and translation are always strongly coupled in the activated barrier hopping event, and hence for all stresses only a single yielding process is predicted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Time resolved imaging of magnetization dynamics in hard disk writer yokes excited by bipolar current pulses

A partially built hard disk writer structure with a NiFe/CoFe/Ru/NiFe/CoFe synthetic antiferromagnetic (SAF) yoke was studied by time and vector resolved scanning Kerr microscopy. All three time dependent components of the magnetization were recorded simultaneously as a bipolar current pulse with 1 MHz repetition rate was delivered to the coil. The component of magnetization parallel to the symmetry axis of the yoke was compared at the pole and above a coil winding in the centre of the yoke. The two responses are in phase as the pulse rises, but the pole piece lags the yoke as the pulse falls. The Kerr signal is smaller within the yoke than within the confluence region during pulse cycling. This suggests funneling of flux into the confluence region. Dynamic images acquired at different time delays showed that the relaxation is faster in the centre of the yoke than in the confluence region, perhaps due to the different magnetic anisotropy in these regions. Although the SAF yoke is designed to support a single domain to aid flux conduction, no obvious flux beaming was observed, suggesting the presence of a more complicated domain structure. The SAF yoke writer hence provides relatively poor flux conduction but good control of rise time compared to single layer and multi-layered yokes studied previously.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Elastically Cooperative Activated Hopping Theory of Relaxation in Viscous Liquids. I. General Formulation and Application to Hard Sphere Fluids.

We generalize the force-level nonlinear Langevin equation theory of single particle hopping to includecollective effects associated with long range elastic distortion of the liquid. The activated alpharelaxation event is of a mixed spatial character, involving two distinct, but inter-related, local and collectivebarriers. There are no divergences at volume fractions below jamming or temperatures abovezero Kelvin. The ideas are first developed and implemented analytically and numerically in the contextof hard sphere fluids. In an intermediate volume fraction crossover regime, the local cage processis dominant in a manner consistent with an apparent Arrhenius behavior. The super-Arrhenius collectivebarrier is more strongly dependent on volume fraction, dominates the highly viscous regime,and is well described by a nonsingular law below jamming. The increase of the collective barrieris determined by the amplitude of thermal density fluctuations, dynamic shear modulus or transientlocalization length, and a growing microscopic jump length. Alpha relaxation time calculations arein good agreement with recent experiments and simulations on dense fluids and suspensions of hardspheres. Comparisons of the theory with elastic models and entropy crisis ideas are explored. Thepresent work provides a foundation for constructing a quasi-universal, fit-parameter-free theory forrelaxation in thermal molecular liquids over 14 orders of magnitude in time.

Mirigian, Stephen↗
DOE OSTI2014

Spin wave theory for 2D disordered hard-core bosons

A spin-wave (SW) approach for hard-core bosons is presented to treat the problem of two dimensional boson localization in a random potential. After a short review of the method to compute 1/S-corrected observables, the case of random on-site energy is discussed. Whereas the mean-field solution does not display a Bose glass (BG) phase, 1/S corrections do capture BG physics. In particular, the localization of SW excitations is discussed through the inverse participation ratio.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Tunable exchange bias-like effect in patterned hard-soft two-dimensional lateral composites with perpendicular magnetic anisotropy

Patterned hard-soft 2D magnetic lateral composites have been fabricated by e-beam lithography plus dry etching techniques on sputter-deposited NdCo{sub 5} thin films with perpendicular magnetic anisotropy. Their magnetic behavior is strongly thickness dependent due to the interplay between out-of-plane anisotropy and magnetostatic energy. Thus, the spatial modulation of thicknesses leads to an exchange coupled system with hard/soft magnetic regions in which rotatable anisotropy of the thicker elements provides an extra tool to design the global magnetic behavior of the patterned lateral composite. Kerr microscopy studies (domain imaging and magneto-optical Kerr effect magnetometry) reveal that the resulting hysteresis loops exhibit a tunable exchange bias-like shift that can be switched on/off by the applied magnetic field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Fabrication of triangular nanobeam waveguide networks in bulk diamond using single-crystal silicon hard masks

A scalable approach for integrated photonic networks in single-crystal diamond using triangular etching of bulk samples is presented. We describe designs of high quality factor (Q = 2.51 × 10{sup 6}) photonic crystal cavities with low mode volume (V{sub m} = 1.062 × (λ/n){sup 3}), which are connected via waveguides supported by suspension structures with predicted transmission loss of only 0.05 dB. We demonstrate the fabrication of these structures using transferred single-crystal silicon hard masks and angular dry etching, yielding photonic crystal cavities in the visible spectrum with measured quality factors in excess of Q = 3 × 10{sup 3}.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗