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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Quantifying Energetic and Entropic Pathways in Molecular Systems

When examining dynamics occurring at nonzero temperatures, both energy and entropy must be taken into account to describe activated barrier crossing events. Furthermore, good reaction coordinates need to be constructed to describe different metastable states and the transition mechanisms between them. Here we use a physics-based machine learning method called state predictive information bottleneck (SPIB) to find nonlinear reaction coordinates for three systems of varying complexity. SPIB is able to correctly predict an entropic bottleneck for an analytical flat-energy double-well system and identify the entropy- and energy-dominated pathways for an analytical four-well system. Lastly, for a simulation of benzoic acid permeation through a lipid bilayer, SPIB is able to discover the entropic and energetic barriers to the permeation process. Given these results, we thus establish that SPIB is a reasonable and robust method for finding the important entropy, energy, and enthalpy barriers in physical systems, which can then be used to enhance the understanding and sampling of different activated mechanisms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Tuning Ising superconductivity with layer and spin–orbit coupling in two-dimensional transition-metal dichalcogenides

Systems simultaneously exhibiting superconductivity and spin–orbit coupling are predicted to provide a route toward topological superconductivity and unconventional electron pairing, driving significant contemporary interest in these materials. Monolayer transition-metal dichalcogenide (TMD) superconductors in particular lack inversion symmetry, yielding an antisymmetric form of spin–orbit coupling that admits both spin-singlet and spin-triplet components of the superconducting wavefunction. Here, we present an experimental and theoretical study of two intrinsic TMD superconductors with large spin–orbit coupling in the atomic layer limit, metallic 2H-TaS 2 and 2H-NbSe 2 . We investigate the superconducting properties as the material is reduced to monolayer thickness and show that high-field measurements point to the largest upper critical field thus reported for an intrinsic TMD superconductor. In few-layer samples, we find the enhancement of the upper critical field is sustained by the dominance of spin–orbit coupling over weak interlayer coupling, providing additional candidate systems for supporting unconventional superconducting states in two dimensions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Optical recognition of constructs using hyperspectral imaging and detection (ORCHID)

Abstract Challenges to deep sample imaging have necessitated the development of special techniques such as spatially offset optical spectroscopy to collect signals that have travelled through several layers of tissue. However, these techniques provide only spectral information in one dimension (i.e., depth). Here, we describe a general and practical method, referred to as Optical Recognition of Constructs Using Hyperspectral Imaging and Detection (ORCHID). The sensing strategy integrates (1) the spatial offset detection concept by computationally binning 2D optical data associated with digital offsets based on selected radial pixel distances from the excitation source; (2) hyperspectral imaging using tunable filter; and (3) digital image binding and collation. ORCHID is a versatile modality that is designed to collect optical signals deep inside samples across three spatial (X, Y, Z) as well as spectral dimensions. The ORCHID method is applicable to various optical techniques that exhibit narrow-band structures, from Raman scattering to quantum dot luminescence. Samples containing surface-enhanced Raman scattering (SERS)-active gold nanostar probes and quantum dots embedded in gel were used to show a proof of principle for the ORCHID concept. The resulting hyperspectral data cube is shown to spatially locate target emitting nanoparticle volumes and provide spectral information for in-depth 3D imaging.

47 OTHER INSTRUMENTATION↗
DOE OSTI2017

Open Heavy Flavor and Quarkonia Results at RHIC

RHIC experiments carry out a comprehensive physics program which studies open heavy flavor and quarkonium production in relativistic heavy-ion collisions. The discovery at RHIC of large high-pT suppression and flow of electrons from heavy quarks flavors have altered our view of the hot and dense matter formed in central Au + Au collisions at √S NN = 200 GeV. These results suggest a large energy loss and flow of heavy quarks in the hot, dense matter. In recent years, the RHIC experiments upgraded the detectors; (1) PHENIX Collaboration installed silicon vertex tracker (VTX) at mid-rapidity region and forward silicon vertex tracker (FVTX) at the forward rapidity region, and (2) STAR Collaboration installed the heavy flavor tracker (HFT) and the muon telescope detector (MTD) both at the mid-rapidity region. With these new upgrades, both experiments have collected large data samples. These new detectors enhance the capability of heavy flavor measurements via precision tracking. The PHENIX experiments established measurements of ψ(1S) and ψ(2S) production as a function of system size, p + p, p + Al, p + Au, and 3He + Au collisions at √S NN = 200 GeV. In p/ 3 He + A collisions at forward rapidity, we observe no difference in the ψ(2S)/ψ(1S) ratio relative to p + p collisions. At backward rapidity, where the comoving particle density is higher, we find that the ψ(2S) is preferentially suppressed by a factor of two. STAR Collaboration presents the first J/ψ and Υ measurements in the di-muon decay channel in Au + Au collisions at GeV at mid-rapidity at RHIC. Here, we observe clear J/ψ RAA suppression and qualitatively well described by transport models simultaneously accounting for dissociation and regeneration processes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

Thermal conductivity and phonon linewidths of monolayer MoS{sub 2} from first principles

Using ab initio calculations, we have investigated the phonon linewidths and the thermal conductivity (κ) of monolayer MoS{sub 2}. κ for a typical sample size of 1 μm is 83 W/m K at room temperature in the completely rough edge limit, suggesting κ is not a limiting factor for the electronic application of monolayer MoS{sub 2}. κ can be further increased by 30% in 10 μm sized samples. Due to strong anharmonicity, isotope enhancement of room temperature κ is only 10% for 1 μm sized samples. However, linewidths can be significantly reduced, for instance, for Raman active modes A{sub 1g} and E{sub 2g}{sup 1}, in isotopically pure samples.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Optical and structural characterization of nitrogen-rich InN: Transition from nearly intrinsic to strongly n-type degenerate with temperature

We report on a detailed study of the structural and optical properties of nonstoichiometric nitrogen-rich InN grown on sapphire substrates, by migration enhanced afterglow deposition. The samples were polycrystalline, with the presence of InN dots. Unusually strong photoluminescence emission was measured at cryogenic temperatures, with the peak energy at ∼0.68 eV. Detailed analysis further shows that the sample has very low residual electron density in the range of ∼10{sup 16} cm{sup −3} at temperatures below 20 K.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Structural and AC loss study for pure and doped MgB{sub 2} superconductor

Superconducting polycrystalline bulk MgB{sub 2} samples doped with n-C, n-Y{sub 2}O{sub 3} and n-Ho{sub 2}O{sub 3} were prepared by powder-in-sealed (PIST) method. XRD measurement shows the influence of dopants on phase and lattice parameters of samples. The ac susceptibility measurement reveals ac loss and activation energy of the samples. Nano-C doped sample shows less ac loss in all frequency (208 Hz – 999 Hz) among the doped samples; whereas n-Ho{sub 2}O{sub 3} doped sample shows highest ac loss. The activation energy is high for rare earth (n-Y{sub 2}O{sub 3} and n-Ho{sub 2}O{sub 3}) doped samples as compare to n-C doped samples which reveals the enhancement in flux-pinning properties of these materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Experimental quantum Bernoulli factories via Bell-basis measurements

Randomness processing in the Bernoulli factory framework provides a concrete setting in which quantum resources can outperform classical ones. We experimentally demonstrate quantum randomness processing based on Bell-basis measurements of two identical input quoins prepared on IBM superconducting hardware. Using only the measurement outcomes (and no external classical randomness source), we realize the classically inconstructible Bernoulli doubling primitive f(p)=2p, and, as intermediate outputs from the same Bell-measurement statistics, an exact fair coin f(p)=1/2 and the classically inconstructible function f(p)=4p(1−p). We benchmark the measured output biases against ideal predictions and discuss the impact of device noise. Our results establish a simple resource-efficient experimental primitive for quantum-to-classical randomness processing and support the viability of quantum Bernoulli factories for quantum-enhanced stochastic simulation and sampling tasks.

Roy, Tanay [Fermilab] (ORCID:000000019442862X)↗
DOE OSTI2026

Extended Rice–Thomson analysis and atomistic simulations revealing grain boundary effects on fracture in refractory high-entropy alloys

Significance This work serves to extend the fundamental ductile vs. brittle fracture theory, specifically the Rice–Thomson criterion, by introducing a grain boundary ahead of an initiating crack which propagates at an oblique angle to impinge the boundary. Atomistic fracture simulations on two refractory complex concentrated alloys, the brittle NbMoTaW and the ductile Nb 45 Ta 25 Ti 15 Hf 15 , demonstrate qualitative correspondence with the extended Rice–Thomson criterion and experimental observations. Abstract Understanding how grain boundaries mediate fracture remains a critical challenge in designing ductile, high-performance refractory alloys. Here, we extend the Rice–Thomson criterion to account for the angle between cracks and the impinging grain boundaries (GBs), capturing the competition between intergranular fracture and dislocation-mediated plasticity. Using machine learning interatomic potentials, we performed molecular statics simulations to probe fracture mechanisms in nanocrystalline NbMoTaW and Nb 45 Ta 25 Ti 15 Hf 15 , each with two different grain sizes, revealing trends consistent with experimental observations and the extended Rice model. Comparison with averaged R-curves for bulk samples demonstrates that GBs enhance ductility in Nb 45 Ta 25 Ti 15 Hf 15 in both grain sizes investigated. In contrast, GBs only locally improve fracture resistance in NbMoTaW when cracks are temporarily pinned at GBs inclined at high angles from the crack, but generally promote brittle intergranular fracture. These contrasting behaviors are attributed to differences in GB cohesion, reflecting clear alloying trends that align with ab-initio calculations and trends observed experimentally. Our results bridge classical fracture theory, atomistic simulations, and experimental observations, providing a comprehensive understanding of the fracture mechanisms in nanocrystalline refractory complex concentrated alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2015

An X-ray-selected sample of candidate black holes in dwarf galaxies

We present a sample of hard X-ray-selected candidate black holes (BHs) in 19 dwarf galaxies. BH candidates are identified by cross-matching a parent sample of ∼44,000 local dwarf galaxies (M{sub ⋆}⩽3×10{sup 9} M{sub ⊙}, z<0.055) with the Chandra Source Catalog and subsequently analyzing the original X-ray data products for matched sources. Of the 19 dwarf galaxies in our sample, eight have X-ray detections reported here for the first time. We find a total of 43 point-like hard X-ray sources with individual luminosities L{sub 2−10 keV}∼10{sup 37}10{sup 40} erg s{sup −1}. Hard X-ray luminosities in this range can be attained by stellar-mass X-ray binaries (XRBs) and by massive BHs accreting at low Eddington ratio. We place an upper limit of 53% (10/19) on the fraction of galaxies in our sample hosting a detectable hard X-ray source consistent with the optical nucleus, although the galaxy center is poorly defined in many of our objects. We also find that 42% (8/19) of the galaxies in our sample exhibit statistically significant enhanced hard X-ray emission relative to the expected galaxy-wide contribution from low-mass and high-mass XRBs, based on the L{sub 2−10 keV}{sup XRB}−M{sub ⋆}−star formation rate relation defined by more massive and luminous systems. For the majority of these X-ray-enhanced dwarf galaxies, the excess emission is consistent with (but not necessarily due to) a nuclear X-ray source. Follow-up observations are necessary to distinguish between stellar-mass XRBs and active galactic nuclei powered by more massive BHs. In any case, our results support the notion that X-ray-emitting BHs in low-mass dwarf galaxies may have had an appreciable impact on reionization in the early universe.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Photoinduced electric effects in various plasmonic materials

Photoinduced voltages associated with surface plasmon polariton excitations are studied both theoretically and experimentally in various plasmonic systems as the function of material, wavelength, and type of structure. Experimental photovoltage normalized to the absorbed power shows a general decrease upon an increase in the wavelength, enhancement in the nanostructured samples, and a strong variation in the magnitude as a function of the material, which are not in line with the theoretical predictions of the simple plasmonic pressure approach. Furthermore, the results can be used for clarification of the mechanisms and further development of an adequate theoretcial approach to the plasmon drag effect.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Nanoaperture fabrication in ultra-smooth single-grain gold films with helium ion beam lithography

In this paper, we demonstrate a simple three-step gold thin-film sample preparation process to enhance the morphology and lithographic precision using helium ion based direct-writing. The procedure includes metal deposition, heat treatment and template stripping, which produce smooth monocrystalline gold grains with sizes up to 500 nm and an average surface roughness of 0.267 nm. By using a helium ion microscope, we can fabricate structures with feature sizes less than 20 nm in a 100 nm thick gold film with high-quality sidewalls. We demonstrate the efficacy of this technique by producing high-quality double nanohole (DNH) nanoapertures for single nanoparticle trapping in a single grain of 100 nm thick gold. This procedure can be applied to a wide range of antenna geometries and features that need to be fabricated producing optical and or electronic devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Measurement of pseudorapidity distributions of charged particles in proton-proton collisions at $\sqrt{s}$ = 8 TeV by the CMS and TOTEM experiments

Pseudorapidity (η) distributions of charged particles produced in proton–proton collisions at a centre-of-mass energy of 8 TeV are measured in the ranges |η|<2.2 and 5.3<|η|<6.4 covered by the CMS and TOTEM detectors, respectively. We found that the data correspond to an integrated luminosity of L=45 μb -1 . These measurements are presented for three event categories. The most inclusive category is sensitive to 91–96 % of the total inelastic proton–proton cross section. The other two categories are disjoint subsets of the inclusive sample that are either enhanced or depleted in single diffractive dissociation events. Finally, the data are compared to models used to describe high-energy hadronic interactions. None of the models considered provide a consistent description of the measured distributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Measurement of charged particle spectra in minimum-bias events from proton–proton collisions at $\sqrt{s}=13\,\text {TeV} $

Pseudorapidity, transverse momentum, and multiplicity distributions are measured in the pseudorapidity range $|\eta | < 2.4$ for charged particles with transverse momenta satisfying $p_{\mathrm {T}} > 0.5\,\text {GeV} $ in proton–proton collisions at a center-of-mass energy of $\sqrt{s} = 13\,\text {TeV} $ . Measurements are presented in three different event categories. The most inclusive of the categories corresponds to an inelastic $\mathrm {p}$ $\mathrm {p}$ data set, while the other two categories are exclusive subsets of the inelastic sample that are either enhanced or depleted in single diffractive dissociation events. As a result, the measurements are compared to predictions from Monte Carlo event generators used to describe high-energy hadronic interactions in collider and cosmic-ray physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Epoxy resin reinforced with carbonized chicken feathers: An innovative composite material with sustainable potentials

Here, this article explores a novel method for enhancing the mechanical properties of epoxy resin composites by incorporating carbonized chicken feathers as a filler material. The fabrication process involves carbonizing chicken feathers at 600°C and incorporating 5-10 wt% of the fillers into an epoxy matrix. The composites showed enhanced mechanical properties and samples containing 10 wt% filler exhibit the best properties. The performance corresponds to 49% increase in tensile strength, 16% rise in Young’s modulus, 40% improvement in flexural modulus, and 57% in flexural strength. X-ray diffraction and scanning electron microscopy with energy dispersive spectroscopy were employed to characterize the filler. This characterization provides valuable insights into the structure and chemical composition of the pulverized carbonized chicken feathers that contributed to the attained improvement in composites’ properties. Microstructural examination of the developed composite under scanning electron microscope also provides insights into matrix-filler interface and dispersion of the fillers within the composite matrix. The study not only highlights the unique combination of carbonized feathers’ inherent strength and compatibility with the epoxy matrix but also underscores the eco-friendly nature of utilizing agricultural waste. The findings suggest promising applications in industries demanding lightweight, high-strength materials, which can contribute to sustainable engineering solutions.

36 MATERIALS SCIENCE↗
DOE OSTI2017

The Populations of Carina. II. Chemical Enrichment

Chemical abundances are presented for 19 elements in a sample of 63 red giants in the Carina dwarf spheroidal galaxy (dSph), based on homogeneous 1D/LTE model atmosphere analyses of our own observations (32 stars) and data available in the literature (a further 31 independent stars). The (Fe) metallicity and [ α /Fe] distribution functions have mean values and dispersions of −1.59 and 0.33 dex ([Fe/H] range: −2.68 to −0.64) and 0.07 and 0.13 dex ([ α /Fe] range: −0.27 to 0.25), respectively. We confirm the finding of Venn et al. that a small percentage (some 10% in the present investigation) of the sample shows clear evidence for significant enrichment by Type Ia supernova (SN Ia) ejecta. Calcium, with the most accurately determined abundance of the α -elements, shows an asymmetric distribution toward smaller values of [Ca/Fe] at all [Fe/H], most significantly over −2.0 < [Fe/H] < −1.0, suggestive of incomplete mixing of the ejecta of SNe Ia with the ambient medium of each of Carina’s generations. Approximate color–magnitude diagram age estimates are presented for the sample, and together with our chemical abundances, compared with the results of our previous synthetic color–magnitude diagram analysis, which reported the details of Carina’s four well-defined populations. We searched for the Na–O anticorrelation universally reported in the Galaxy’s globular clusters and confirm that this phenomenon does not exist in Carina. We also found that one of the 32 stars in our sample has an extremely enhanced lithium abundance— A (Li){sub NLTE} = +3.36, consistent with membership of the ∼1% group of Li-rich stars in dSph described by Kirby et al.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Sequencing at sea: challenges and experiences in Ion Torrent PGM sequencing during the 2013 Southern Line Islands Research Expedition

Genomics and metagenomics have revolutionized our understanding of marine microbial ecology and the importance of microbes in global geochemical cycles. However, the process of DNA sequencing has always been an abstract extension of the research expedition, completed once the samples were returned to the laboratory. During the 2013 Southern Line Islands Research Expedition, we started the first effort to bring next generation sequencing to some of the most remote locations on our planet. We successfully sequenced twenty six marine microbial genomes, and two marine microbial metagenomes using the Ion Torrent PGM platform on the Merchant Yacht Hanse Explorer. Onboard sequence assembly, annotation, and analysis enabled us to investigate the role of the microbes in the coral reef ecology of these islands and atolls. This analysis identified phosphonate as an important phosphorous source for microbes growing in the Line Islands and reinforced the importance of Lserine in marine microbial ecosystems. Sequencing in the field allowed us to propose hypotheses and conduct experiments and further sampling based on the sequences generated. By eliminating the delay between sampling and sequencing, we enhanced the productivity of the research expedition. By overcoming the hurdles associated with sequencing on a boat in the middle of the Pacific Ocean we proved the flexibility of the sequencing, annotation, and analysis pipelines.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1983

ADAM - An axisymmetric duct aeroacoustic modeling system

ADAM is an acronym for Axisymmetric Duct Aeroacoustic Modeling and is the name of an interconnected system of computer programs for integrated aerodynamic and acoustic analysis of aeroengine nacelles. The system consists of a streamtube curvature program for determination of the mean flow and a set of finite element codes for solution of the acoustic propagation problem. Use of the system is facilitated by interactive graphics for viewing aerodynamic and acoustic fields throughout their solution domains. This paper describes the capabilities and structure of the present system and discusses experience gained in the sample problems. Possible future enhancements to the system are also outlined.

Abrahamson, A. L.↗