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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Design and performance of Soft Gamma-ray Detector onboard the Hitomi (ASTRO-H) satellite

Hitomi (ASTRO-H) was the sixth Japanese x-ray satellite that carried instruments with exquisite energy resolution of <7 eV and broad energy coverage of 0.3 to 600 keV. The Soft Gamma-ray Detector (SGD) was the Hitomi instrument that observed the highest energy band (60 to 600 keV). The SGD design achieves a low background level by combining active shields and Compton cameras where Compton kinematics is utilized to reject backgrounds coming from outside of the field of view. A compact and highly efficient Compton camera is realized using a combination of silicon and cadmium telluride semiconductor sensors with a good energy resolution. Compton kinematics also carries information for gamma-ray polarization, making the SGD an excellent polarimeter. Following several years of development, the satellite was successfully launched on February 17, 2016. After proper functionality of the SGD components were verified, the nominal observation mode was initiated on March 24, 2016. The SGD observed the Crab Nebula for approximately two hours before the spacecraft ceased to function on March 26, 2016. We present concepts of the SGD design followed by detailed description of the instrument and its performance measured on ground and in orbit.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Infrared laser spectroscopy of the n -propyl and i -propyl radicals: Stretch-bend Fermi coupling in the alkyl CH stretch region

The n -propyl and i -propyl radicals were generated in the gas phase via pyrolysis of n -butyl nitrite [CH 3 (CH 2 ) 3 ONO] and i -butyl nitrite [(CH 3 ) 2 CHCH 2 ONO], respectively. Nascent radicals were promptly solvated by a beam of He nanodroplets, and the infrared spectra of the radicals were recorded in the CH stretching region. Several previously unreported bands are observed between 2800 and 3150 cm –1 . The CH stretching modes observed above 3000 cm –1 are in excellent agreement with CCSD(T) anharmonic frequencies computed using second-order vibrational perturbation theory. However, between 2800 and 3000 cm –1 , the spectra of n - and i -propyl radicals become congested and difficult to assign due to the presence of multiple anharmonic resonance polyads. To model the spectrally congested region, Fermi and Darling-Dennison resonances are treated explicitly using “dressed” Hamiltonians and CCSD(T) quartic force fields in the normal mode representation, and the agreement with experiment is less than satisfactory. Computations employing local mode effective Hamiltonians reveal the origin of the spectral congestion to be strong coupling between the high frequency CH stretching modes and the lower frequency CH n bending/scissoring motions. The most significant coupling is between stretches and bends localized on the same CH 2 /CH 3 group. As a result, spectral simulations using the local mode approach are in excellent agreement with experiment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Temperature-dependent structural studies of mullite-type Bi{sub 2}Fe{sub 4}O{sub 9}

We report on the temperature-dependent structural studies on the mullite-type Bi{sub 2}Fe{sub 4}O{sub 9} compound. The crystal structures were determined using both powder X-ray diffraction and single crystal neutron diffraction. The thermal expansion of the cell parameters from smallest to largest occurred in the order a<c<b; their expansion behavior was fit using either linear or nonlinear regression according to the region of choice. The anisotropic thermal expansion was monitored with respect to the expansion coefficients, anisotropy factor, and polyhedral geometry. At 900 K an abrupt change of the anisotropy factor is observed which correlates with a slope in the BiO{sub 6} polyhedral volume. At the same temperature the FeO{sub 4} tetrahedral distortion starts to increase. The temperature-dependent stereochemically activity of the Bi{sup 3+} 6s{sup 2} lone electron pair was probed by the absolute value of eccentricity parameter. This parameter shows a significant drop at around 773 K. Additionally, the average crystal size and micro-strain of the powder samples were studied. A healing of intrinsic defects is observed with respect to a decreasing micro-strain followed by crystal growth above about 900 K. The temperature-dependent infrared spectra were described in three distinct zones. Deconvolution of the absorption features between 370 cm{sup -1} and 1000 cm{sup -1} required nine fitted bands, and the decomposed Pseudo-Voigt elements were assigned to Fe-O stretching, Fe-O-Fe bending and O-Fe-O bending vibrations. The shift of the observed modes was described with respect to temperature. An effective linewidth parameter {Delta}corr was determined by autocorrelation analysis between 740 cm{sup -1} and 900 cm{sup -1} for each temperature-dependent spectrum. The break of the slope of {Delta}corr at about 773 K was interpreted as the change of some vibrational modes of the FeO{sub 4} tetrahedra. The intrinsic effects observed around 773 K are responsible for extrinsic parameter changes found around 900 K. - Graphical abstract: Temperature-dependent stereochemical activity (eccentricity |{Phi}{sub i}|) of the Bi{sup 3+} 6s{sup 2} lone electron pair directing in the non-bonded region of the Bi-O coordination in the Bi{sub 2}Fe{sub 4}O{sub 9} iron framework (given as polyhedra). Highlights: Black-Right-Pointing-Pointer Complex expansion-contraction mechanism explains anisotropic thermal expansion. Black-Right-Pointing-Pointer Bi 6s{sup 2} lone electron pair sphericity influences analyses by FTIR autocorrelation. Black-Right-Pointing-Pointer Intrinsic effects at 773 K are responsible for extrinsic parameter changes at 900 K.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Ultrafast Three-Dimensional Integrated Imaging of Strain in Core/Shell Semiconductor/Metal Nanostructures

Visualizing the dynamical response of material heterointerfaces is increasingly important for the design of hybrid materials and structures with tailored properties for use in functional devices. In situ characterization of nanoscale heterointerfaces such as metal-semiconductor interfaces, which exhibit a complex interplay between lattice strain, electric potential, and heat transport at subnanosecond time scales, is particularly challenging. Here in this work, we use a laser pump/X-ray probe form of Bragg coherent diffraction imaging (BCDI) to visualize in three-dimension the deformation of the core of a model core/shell semiconductor-metal (ZnO/Ni) nanorod following laser heating of the shell. We observe a rich interplay of radial, axial, and shear deformation modes acting at different time scales that are induced by the strain from the Ni shell. We construct experimentally informed models by directly importing the reconstructed crystal from the ultrafast experiment into a thermo-electromechanical continuum model. The model elucidates the origin of the deformation modes observed experimentally. Our integrated imaging approach represents an invaluable tool to probe strain dynamics across mixed interfaces under operando conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Raman Fingerprints of Phase Transitions and Ferroic Couplings in van der Waals Multiferroic CuCrP 2 S 6

CuCrP 2 S 6 (CCPS), a type-II multiferroic material, exhibits unique phase transitions involving ferroelectric, antiferroelectric, and antiferromagnetic ordering. Here, in this study, we conduct a comprehensive investigation on the intricate phase transitions and their multiferroic couplings in CCPS across a wide temperature range from 4 to 345 K through Raman spectroscopic measurements down to 5 cm –1 . We first assign the observed Raman modes with the support of theoretical calculations and angle-resolved polarized Raman measurements. We further present clear signatures of phase transitions from the analyses of temperature-dependent Raman spectral parameters. Particularly, two low-frequency soft modes are observed at 36.1 cm –1 and 70.5 cm –1 below 145 K, indicating the antiferroelectric to quasi-antiferroelectric transition. Moreover, phonon mode hardening is observed when the temperature increases from 4 to 65 K, suggesting negative thermal expansion (NTE) and strong magnetoelastic coupling below 65 K. These findings advance the understanding of vdW multiferroic CCPS, paving the way for future design and engineering of multiferroicity in cutting-edge technologies, such as spintronics and quantum devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Behavior of Hydrogarnet‐Type Defects in Hydrous Stishovite at Various Temperatures and Pressures

Abstract Dense polymorphs of silica have been demonstrated experimentally to incorporate from 1.5 wt% to as much as 11.6 wt% H 2 O as OH groups, with implications for the hydrogen budgets of Earth and other planets. This OH is thought to enter the SiO 2 structure via a charge‐balanced substitution in which silicon vacancies (V Si ) are compensated by protonating four of the surrounding six oxygen atoms, often referred to as a hydrogarnet‐type defect. There are many possible configurations for this defect structure in dense silica, but the nature of these configurations and whether they can be distinguished experimentally is unknown. We present here density functional theory calculations that systematically assess the possible configurations of a hydrogarnet‐type defect in stishovite (rutile‐type SiO 2 ), with direct comparisons to experimental vibrational spectroscopy data. We predict that stishovite synthesized at 450 K and 10 GPa quenched to room temperature is dominated by a single defect type with tetrahedral geometry. This leads to OH stretching modes (2,500–3,000 cm −1 ) and SiOH bending modes (∼1,400–1,450 cm −1 ) largely consistent with experimentally observed modes. One remaining issue is that our calculations produce results compatible with experimental data on H to D exchange, but do not explain why a considerable fraction of the 1,420 cm −1 mode shifts by only 40 cm −1 in deuterated samples. At elevated pressures and temperatures, we find that a second square planar defect configuration also becomes favorable, leading to modes that should allow differentiation from the tetrahedral configuration.

Geochemistry & Geophysics↗
DOE OSTI2021

Potential of hotspot solar‐induced chlorophyll fluorescence for better tracking terrestrial photosynthesis

Abstract Remote sensing of solar‐induced fluorescence (SIF) opens a new window for quantifying a key ecological variable, the terrestrial ecosystem gross primary production (GPP), because of the revealed strong SIF–GPP correlation. However, similar to many other remotely sensed metrics, SIF observations suffer from the sun‐sensor geometry effects, which may have important impacts on the SIF–GPP relationship but remain poorly understood. Here we used remotely sensed SIF, globally distributed tower GPP data, and a mechanistic model to provide a systematic analysis. Our results reveal that leaf physiology, canopy structure, and sun‐sensor geometries all affect the SIF–GPP relationship. In particular, we found that SIF observations in the sun‐tracking hotspot direction can be a better proxy of GPP due to the similar responses of light use efficiency and SIF escaping probability in the hotspot direction to the increasing incoming solar radiation. Such conclusions are supported by a variety of modeling simulations and satellite observations over various plant function types, at different time scales and with satellite observational modes. This study demonstrates the potential and advantage of normalizing SIF observations to the hotspot direction for better global GPP estimations. This study also demonstrates the great potentials of current and future spaceborne sun‐tracking satellite missions for a significant improvement in measuring and monitoring, at a wide range of spatial and temporal scales, the changes in terrestrial ecosystem GPP in response to anticipated changes in the Earth's environmental conditions.

Hao, Dalei↗
DOE OSTI2010

Atomic force microscopy imaging using a tip-on-chip: Opening the door to integrated near field nanotools

We describe in detail how atomic force microscopy (AFM) images can be routinely achieved with macroscopic silicon-based chips integrating mesoscopic tips, paving the way for the development of new near field devices combining AFM imaging with any kind of functionality integrated on a chip. The chips have been glued at the end of the free prong of 100 kHz quartz tuning forks mounted in Qplus configuration. Numerical simulations by modal analysis have been carried out to clarify the nature of the vibration modes observed in the experimental spectra. It is shown that two low frequency modes can be used to drive the system and scan the surface with a great stability in amplitude modulation as well as in frequency modulation AFM under ultrahigh vacuum. The AFM capabilities are demonstrated through a series of examples including phase and dissipation contrast imaging, force spectroscopy measurements, and investigations of soft samples in weak interaction with the substrate. The lateral resolution with the tips grown by focused ion beam deposition already matches the one achieved in standard amplitude modulation mode AFM experiments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Isotope tracer investigation and ab-initio simulation of anisotropic hydrogen transport and possible multi-hydrogen centers in tin dioxide

Hydrogen as an impurity in single crystals of tin dioxide was investigated through diffusivity and vibrational-mode analyses performed using isotope tracers and density functional theory calculations. It was found that hydrogen diffusion along the 〈001〉 axis is very fast, even at relatively low temperatures (400 °C), but is considerably slower within the (001) plane. Using transitional state calculations, this diffusion behavior was determined to be the result of anisotropy in the migration barrier for interstitial hydrogen (H{sub i}). In addition, the two distinct vibrational modes observed in the optical spectrum were identified as the O-H stretching modes of Hi and the substitutional hydrogen at the tin sites.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Continuous-wave GaAs/AlGaAs quantum cascade laser at 5.7 THz

Design strategies for improving terahertz (THz) quantum cascade lasers (QCLs) in the 5–6 THz range are investigated numerically and experimentally, with the goal of overcoming the degradation in performance that occurs as the laser frequency approaches the Reststrahlen band. Two designs aimed at 5.4 THz were selected: one optimized for lower power dissipation and one optimized for better temperature performance. The active regions exhibited broadband gain, with the strongest modes lasing in the 5.3–5.6 THz range, but with other various modes observed ranging from 4.76 to 6.03 THz. Pulsed and continuous-wave (cw) operation is observed up to temperatures of 117 K and 68 K, respectively. In cw mode, the ridge laser has modes up to 5.71 THz – the highest reported frequency for a THz QCL in cw mode. The waveguide loss associated with the doped contact layers and metallization is identified as a critical limitation to performance above 5 THz.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Low-frequency shear Alfvén waves at DIII-D: Theoretical interpretation of experimental observations

The linear properties of the low-frequency shear Alfvén waves such as those associated with the beta-induced Alfvén eigenmodes (BAEs) and the low-frequency modes observed in reversed-magnetic-shear DIII-D discharges [W. Heidbrink et al., Nucl. Fusion 61, 066031 (2021)] are theoretically investigated and delineated based on the theoretical framework of the general fishbone-like dispersion relation (GFLDR). By adopting representative experimental equilibrium profiles, it is found that, even though both modes are predominantly of Alfvénic polarization, the low-frequency mode is a reactive unstable mode with weak coupling to the energetic particles, while the BAE involves a dissipative instability due to resonant excitation by the energetic ions. Thus, the low-frequency mode is more appropriately called a low-frequency Alfvén mode (LFAM). Moreover, the ascending frequency spectrum patterns of the experimentally observed BAEs and LFAMs can be theoretically reproduced by varying qmin and also be well interpreted based on the GFLDR. The present analysis illustrates the solid predictive capability of the GFLDR and its practical usefulness in enhancing the interpretative capability of both experimental and numerical simulation results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

VERITAS detection of γ-ray flaring activity from the BL LAC object 1ES 1727+502 during bright moonlight observations

During moonlit nights, observations with ground-based Cherenkov telescopes at very high energies (VHEs, E>100 GeV) are constrained since the photomultiplier tubes (PMTs) in the telescope camera are extremely sensitive to the background moonlight. Observations with the VERITAS telescopes in the standard configuration are performed only with a moon illumination less than 35% of full moon. Since 2012, the VERITAS collaboration has implemented a new observing mode under bright moonlight, by either reducing the voltage applied to the PMTs (reduced-high-voltage; RHV configuration), or by utilizing UV-transparent filters. While these operating modes result in lower sensitivity and increased energy thresholds, the extension of the available observing time is useful for monitoring variable sources such as blazars and sources requiring spectral measurements at the highest energies. In this paper we report the detection of γ-ray flaring activity from the BL Lac object 1ES 1727+502 during RHV observations. This detection represents the first evidence of VHE variability from this blazar. The integral flux is (1.1±0.2)×10{sup −11} cm{sup −2} s{sup −1} above 250 GeV, which is about five times higher than the low-flux state. The detection triggered additional VERITAS observations during standard dark-time. Multiwavelength observations with the FLWO 48″ telescope, and the Swift and Fermi satellites are presented and used to produce the first spectral energy distribution (SED) of this object during γ-ray flaring activity. The SED is then fitted with a standard synchrotron-self-Compton model, placing constraints on the properties of the emitting region and of the acceleration mechanism at the origin of the relativistic particle population in the jet.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

In-flight observations of low-mode ρR asymmetries in NIF implosions

Charged-particle spectroscopy is used to assess implosion symmetry in ignition-scale indirect-drive implosions for the first time. Surrogate D{sup 3}He gas-filled implosions at the National Ignition Facility produce energetic protons via D+{sup 3}He fusion that are used to measure the implosion areal density (ρR) at the shock-bang time. By using protons produced several hundred ps before the main compression bang, the implosion is diagnosed in-flight at a convergence ratio of 3–5 just prior to peak velocity. This isolates acceleration-phase asymmetry growth. For many surrogate implosions, proton spectrometers placed at the north pole and equator reveal significant asymmetries with amplitudes routinely ≳10%, which are interpreted as ℓ=2 Legendre modes. With significant expected growth by stagnation, it is likely that these asymmetries would degrade the final implosion performance. X-ray self-emission images at stagnation show asymmetries that are positively correlated with the observed in-flight asymmetries and comparable in magnitude, contradicting growth models; this suggests that the hot-spot shape does not reflect the stagnated shell shape or that significant residual kinetic energy exists at stagnation. More prolate implosions are observed when the laser drive is sustained (“no-coast”), implying a significant time-dependent asymmetry in peak drive.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Static and dynamic behavior of ultrathin cobalt nanowires embedded in transparent matrix

Two self-assembly of ultrathin Co nanowires (NWs) embedded in a CeO{sub 2} matrix was grown on SrTiO{sub 3}(001) and oxidized Si(001) substrates. A common feature of the two arrays of NWs is the small diameter of the wires, falling in the 4–5 nm range. Combined with their length, the aspect ratio is large enough to ensure large magnetostatic anisotropy with an easy axis along the axis of the nanowires as revealed by magnetometry measurements. The Brillouin light scattering technique has been used to investigate the behavior of the spin waves under a field perpendicular to the NWs axes. The transparency of the matrix ensures the penetration of the probing light inside the sample. Importantly, Brillouin light scattering from the magnetic modes obeys the volume Bragg condition, which is characteristic of the configuration in which the observed modes are propagating along the nanowires and due to their very small diameter are nearly constant across the section. Both series of experimental results are satisfactorily analyzed by means of a single analytical model, based on a mean-field approach, assuming the presence at remanence of two populations of NWs with up and down magnetizations and including the dipolar coupling between the cylinders.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Effects of structure distortion on optical phonon properties of crystalline beta-BaTeMo{sub 2}O{sub 9}—A novel nonlinear optical material: Infrared and Raman spectra as well as first-principles calculations

The infrared dielectric property of monoclinic BaTeMo{sub 2}O{sub 9} single crystals is studied by polarized IR reflectance spectra from 20 to 1800 cm{sup −1}. Based on the modified Lorentz model, the frequencies, strengths, and dampings of TO modes as well as the orientations of the dipole momenta are determined, agreeing well with Raman spectra and results from First-principles calculation. The observed modes are visually assigned to the specific atoms' motions in the primitive cell based on the theory calculations. A large shift of the internal modes of the anion groups relative to free anion co-ordination polyhedra is observed, which can be used to indicate the distortions of co-ordination polyhedra related to the nonlinear optical properties. Further, the experimental results of the strengths of the oscillators support the elimination and splitting of degenerate modes in free regular polyhedrons. These results offer a way to evaluate the nonlinear optical properties by use of traditional IR reflectivity spectra.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Arc distribution during the vacuum arc remelting of Ti-6Al-4V

Currently, the temporal distribution of electric arcs across the ingot during vacuum arc remelting (VAR) is not a known or monitored process parameter. Previous studies indicate that the distribution of arcs can be neither diffuse nor axisymmetric about the center of the furnace. Correct accounting for the heat flux, electric current flux, and mass flux into the ingot is critical to achieving realistic solidification models of the VAR process. The National Energy Technology Laboratory has developed an arc position measurement system capable of locating arcs and determining the arc distribution within an industrial VAR furnace. The system is based on noninvasive magnetic field measurements and a VAR specific form of the Biot–Savart law. The system was installed on a coaxial industrial VAR furnace at ATI Albany Operations in Albany, OR. This article reports on the different arc distributions observed during production of Ti-6Al-4V. It is shown that several characteristic arc distribution modes can develop. This behavior is not apparent in the existing signals used to control the furnace, indicating the measurement system is providing new information. It is also shown that the different arc distribution modes observed may impact local solidification times, particularly at the side wall.

36 MATERIALS SCIENCE↗
DOE OSTI2010

Lattice vibrations and dielectric functions of ferroelectric SrBi{sub 2-x}Nd{sub x}Nb{sub 2}O{sub 9} bismuth layer-structured ceramics determined by infrared reflectance spectra

Infrared optical properties of SrBi{sub 2-x}Nd{sub x}Nb{sub 2}O{sub 9} (SBNN) ceramics with different Nd compositions (from 0 to 0.2) have been investigated by near-normal incident reflectance technique. The experimental spectra in the wavenumbers range of 350-1500 cm{sup -1} were analyzed using the Lorentz oscillator model for five infrared-active phonon mode observed. It is found that the frequencies of the NbO{sub 6} tilting and symmetric stretching modes linearly decrease with the Nd composition due to the octahedra distortion. The high-frequency dielectric constant varies in the range from 4.55 {+-} 0.04 to 4.80 {+-} 0.04. Owing to the contribution from the stronger electronic transitions, the real part of dielectric function Re({epsilon}) is estimated to about 4.0 in the high-frequency transparent region.

36 MATERIALS SCIENCE↗
DOE OSTI2016

CORSICA modelling of ITER hybrid operation scenarios

The hybrid operating mode observed in several tokamaks is characterized by further enhancement over the high plasma confinement (H-mode) associated with reduced magneto-hydro-dynamic (MHD) instabilities linked to a stationary flat safety factor ($q$ ) profile in the core region. The proposed ITER hybrid operation is currently aiming at operating for a long burn duration (>1000 s) with a moderate fusion power multiplication factor, $Q$ , of at least 5. This paper presents here candidate ITER hybrid operation scenarios developed using a free-boundary transport modelling code, CORSICA, taking all relevant physics and engineering constraints into account. The ITER hybrid operation scenarios have been developed by tailoring the 15 MA baseline ITER inductive H-mode scenario. Accessible operation conditions for ITER hybrid operation and achievable range of plasma parameters have been investigated considering uncertainties on the plasma confinement and transport. ITER operation capability for avoiding the poloidal field coil current, field and force limits has been examined by applying different current ramp rates, flat-top plasma currents and densities, and pre-magnetization of the poloidal field coils. Various combinations of heating and current drive (H&CD) schemes have been applied to study several physics issues, such as the plasma current density profile tailoring, enhancement of the plasma energy confinement and fusion power generation. A parameterized edge pedestal model based on EPED1 added to the CORSICA code has been applied to hybrid operation scenarios. Finally, fully self-consistent free-boundary transport simulations have been performed to provide information on the poloidal field coil voltage demands and to study the controllability with the ITER controllers.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗