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Results for “INTERMEDIATE COUPLING”

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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
NASA NTRS1982

High density Schottky barrier IRCCD sensors for SWIR applications at intermediate temperature

Monolithic 32 x 64 and 64 x 1:128 palladium silicide (Pd2Si) interline transfer infrared charge coupled devices (IRCCDs) sensitive in the 1 to 3.5 micron spectral band were developed. This silicon imager exhibits a low response nonuniformity of typically 0.2 to 1.6% rms, and was operated in the temperature range between 40 to 140 K. Spectral response measurements of test Pd2Si p-type Si devices yield quantum efficiencies of 7.9% at 1.25 microns, 5.6% at 1.65 microns 2.2% at 2.22 microns. Improvement in quantum efficiency is expected by optimizing the different structural parameters of the Pd2Si detectors. The spectral response of the Pd2Si detectors fit a modified Fowler emission model. The measured photo-electric barrier height for the Pd2Si detectors is 0.34 eV and the measured quantum efficiency coefficient, C1, is 19%/eV. The dark current level of Pd2Si Schottky barrier focal plane arrays (FPAs) is sufficiently low to enable operation at intermediate temperatures at TV frame rates. Typical dark current level measured at 120 K on the FPA is 2 nA/sq cm. The operating temperature of the Pd2Si FPA is compatible with passive cooler performance. In addition, high density Pd2Si Schottky barrier FPAs are manufactured with high yield and therefore represent an economical approach to short wavelength IR imaging. A Pd2Si Schottky barrier image sensor for push-broom multispectral imaging in the 1.25, 1.65, and 2.22 micron bands is being studied. The sensor will have two line arrays (dual band capability) of 512 detectors each, with 30 micron center-to-center detector spacing. The device will be suitable for chip-to-chip abutment, thus providing the capability to produce large, multiple chip focal planes with contiguous, in-line sensors.

Elabd, H.↗
DOE OSTI2016

EVOLUTION OF INTERMEDIATE-MASS X-RAY BINARIES DRIVEN BY THE MAGNETIC BRAKING OF AP/BP STARS. I. ULTRACOMPACT X-RAY BINARIES

It is generally believed that ultracompact X-ray binaries (UCXBs) evolved from binaries consisting of a neutron star accreting from a low-mass white dwarf (WD) or helium star where mass transfer is driven by gravitational radiation. However, the standard WD evolutionary channel cannot produce the relatively long-period (40–60 minutes) UCXBs with a high time-averaged mass-transfer rate. In this work, we explore an alternative evolutionary route toward UCXBs, where the companions evolve from intermediate-mass Ap/Bp stars with an anomalously strong magnetic field (100–10,000 G). Including the magnetic braking caused by the coupling between the magnetic field and an irradiation-driven wind induced by the X-ray flux from the accreting component, we show that intermediate-mass X-ray binaries (IMXBs) can evolve into UCXBs. Using the MESA code, we have calculated evolutionary sequences for a large number of IMXBs. The simulated results indicate that, for a small wind-driving efficiency f = 10{sup −5}, the anomalous magnetic braking can drive IMXBs to an ultra-short period of 11 minutes. Comparing our simulated results with the observed parameters of 15 identified UCXBs, the anomalous magnetic braking evolutionary channel can account for the formation of seven and eight sources with f = 10{sup −3}, and 10{sup −5}, respectively. In particular, a relatively large value of f can fit three of the long-period, persistent sources with a high mass-transfer rate. Though the proportion of Ap/Bp stars in intermediate-mass stars is only 5%, the lifetime of the UCXB phase is ≳2 Gyr, producing a relatively high number of observable systems, making this an alternative evolutionary channel for the formation of UCXBs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

DUST DYNAMICS IN PROTOPLANETARY DISK WINDS DRIVEN BY MAGNETOROTATIONAL TURBULENCE: A MECHANISM FOR FLOATING DUST GRAINS WITH CHARACTERISTIC SIZES

We investigate the dynamics of dust grains of various sizes in protoplanetary disk winds driven by magnetorotational turbulence, by simulating the time evolution of the dust grain distribution in the vertical direction. Small dust grains, which are well-coupled to the gas, are dragged upward with the upflowing gas, while large grains remain near the midplane of a disk. Intermediate-size grains float near the sonic point of the disk wind located at several scale heights from the midplane, where the grains are loosely coupled to the background gas. For the minimum mass solar nebula at 1 au, dust grains with size of 25–45 μm float around 4 scale heights from the midplane. Considering the dependence on the distance from the central star, smaller-size grains remain only in an outer region of the disk, while larger-size grains are distributed in a broader region. We also discuss the implications of our result for observations of dusty material around young stellar objects.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1972

A study of modal coupling procedures for the space shuttle

Various procedures for analytically coupling two or more substructures to obtain modal data for assembly, using data obtained from mode surveys of the individual components are discussed. Particular attention was paid to the applicability of the techniques investigated to the space shuttle, with the possible replacement of full scale mode surveys of the shuttle assembly by component mode surveys along with analytical coupling. The synthesis procedures formulated in this report can all handle redundant connections, although the presence of redundancies does add complication to one of the techniques. All of the procedures use the test data directly, without going through an intermediate analytical model, and no analytical stiffness data is required to supplement the mode survey data. The coupling precedures were initially verified and evaluated by applying them to analytical check problems.

Goldenberg, S.↗
DOE OSTI2020

Data-guided Multi-Map variables for ensemble refinement of molecular movies

Driving molecular dynamics simulations with data-guided collective variables offer a promising strategy to recover thermodynamic information from structure-centric experiments. In this study, the three-dimensional electron density of a protein, as it would be determined by cryo-EM or x-ray crystallography, is used to achieve simultaneously free-energy costs of conformational transitions and refined atomic structures. Unlike previous density-driven molecular dynamics methodologies that determine only the best map-model fits, our work employs the recently developed Multi-Map methodology to monitor concerted movements within equilibrium, non-equilibrium, and enhanced sampling simulations. Construction of all-atom ensembles along the chosen values of the Multi-Map variable enables simultaneous estimation of average properties, as well as real-space refinement of the structures contributing to such averages. Using three proteins of increasing size, we demonstrate that biased simulation along the reaction coordinates derived from electron densities can capture conformational transitions between known intermediates. The simulated pathways appear reversible with minimal hysteresis and require only low-resolution density information to guide the transition. The induced transitions also produce estimates for free energy differences that can be directly compared to experimental observables and population distributions. The refined model quality is superior compared to those found in the Protein Data Bank. We find that the best quantitative agreement with experimental free-energy differences is obtained using medium resolution density information coupled to comparatively large structural transitions. Practical considerations for probing the transitions between multiple intermediate density states are also discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Capaciflector camera

A capacitive type proximity sensor having improved range and sensitivity between a surface and an intruding object in the vicinity of the surface having a voltage source, a number of outer electrical conductors on the surface with each forming one electrode of a number of sensor capacitors, the other electrode for each sensor capacitor being the object is described. The outer conductors are made from thin sheets of conductive material covered with insulation. An intermediate electrical conductor is located between the outer conductors and the surface and is of a size larger than the outer conductors to act as a shield for reducing the parasitic capacitance between the outer conductors and the surface. The intermediate conductor is also made from a thin sheet of conductive material covered with insulation. The outer conductors and the intermediate conductor are attached to the surface with no gap between the insulation on the conductors and no gap between the surface and the insulation on intermediate conductor, the outer conductors and the intermediate conductor conjoining with each other and with the surface, with the surface acting as a ground plane. A current-measuring voltage follower circuit is connected to the voltage source for coupling in phase and amplitude the instantaneous voltage at the voltage source to the outer electrical conductors and the intermediate electrical conductor. This circuit is responsive to the change in capacitance of the sensor capacitors and generates a number of output signals.

Vranish, John M.↗
NASA NTRS1994

Capaciflector camera

A capacitive type proximity sensor having improved range and sensitivity between a surface and an intruding object in the vicinity of the surface having a voltage source, a number of outer electrical conductors on the surface with each forming one electrode of a number of sensor capacitors, the other electrode for each sensor capacitor being the object. The outer conductors are made from thin sheets of conductive material covered with insulation. An intermediate electrical conductor is located between the outer conductors and the surface and is of a size larger than the outer conductors to act as a shield for reducing the parasitic capacitance between the outer conductors and the surface. The intermediate conductor is also made from a thin sheet of conductive material covered with insulation. The outer conductors and the intermediate conductor are attached to the surface with no gap between the insulation on the conductors and no gap between the surface and the insulation on intermediate conductor, the outer conductors and the intermediate conductor conjoining with each other and with the surface, with the surface acting as a ground plane. A current-measuring voltage follower circuit is connected to the voltage source for coupling in phase and amplitude the instantaneous voltage at the voltage source to the outer electrical conductors and the intermediate electrical conductor. This circuit is responsive to the change in capacitance of the sensor capacitors and generates a number of output signals.

Vranish, John M.↗
DOE OSTI2019

High resolution ENDOR spectroscopy combined with quantum chemical calculations reveals the structure of the nitrogenase Janus intermediate E4(4H)

We have shown that the key state in N2 reduction to two NH3 by the enzyme nitrogenase is the E4(4H), ‘Janus’ intermediate, which has accumulated four [e-/H+] and is poised to undergo reductive elimination of H2 coupled to N2 binding and activation. Initial 1H and 95Mo ENDOR studies of freeze-trapped E4(4H) revealed the catalytic multi-metallic cluster (FeMo-co) binds two Fe-bridging hydrides, [Fe-H-Fe]. However, the analysis failed to provide a satisfactory picture of structure - the relative spatial relationships of the two [Fe-H-Fe]. Our recent density functional theory (DFT) study yielded a lowest-energy form, denoted E4(4H)(a), with two parallel Fe-H-Fe planes bridging pairs of ‘anchor’ Fe on the Fe2,3,6,7 face of FeMo-co. However, the relative energies of structures E4(4H)(b), with one bridging and one terminal hydride, and E4(4H)(c), with one pair of anchor Fe supporting two bridging hydrides, were not beyond the uncertainties of the calculation. Moreover, a structure of V-dependent nitrogenase resulted in a proposed structure analogous to E4(4H)(c), and additional structures have been proposed by DFT studies of others. To resolve the nature of hydride binding to the Janus intermediate, we performed exhaustive, high-resolution CW-stochastic 1H-ENDOR experiments using improved instrumentation, Mims 2H ENDOR, and a pulsed-ENDOR protocol (‘PESTRE’) to obtain absolute hyperfine-interaction signs. These measurements are coupled to DFT structural models through an analytical point-dipole Hamiltonian for the hydride electron-nuclear dipolar coupling to its ‘anchoring’ Fe ions, an approach that overcomes limitations inherent in both experimental interpretation and computational accuracy. The result: the freeze-trapped, lowest-energy Janus intermediate structure is E4(4H)(a).

Hoeke, Veronica↗
DOE OSTI2016

Spontaneous Aerosol Ejection: Origin of Inorganic Particles in Biomass Pyrolysis

At high thermal flux and temperatures of approximately 500 °C, lignocellulosic biomass transforms to a reactive liquid intermediate before evaporating to condensable bio-oil for downstream upgrading to renewable fuels and chemicals. However, the existence of a fraction of nonvolatile compounds in condensed bio-oil diminishes the product quality and, in the case of inorganic materials, catalyzes undesirable aging reactions within bio-oil. In this study, ablative pyrolysis of crystalline cellulose was evaluated, with and without doped calcium, for the generation of inorganic-transporting aerosols by reactive boiling ejection from liquid intermediate cellulose. Further, aerosols were characterized by laser diffraction light scattering, inductively coupled plasma spectroscopy, and high-speed photography. Pyrolysis product fractionation revealed that approximately 3 % of the initial feed (both organic and inorganic) was transported to the gas phase as aerosols. Large bubble-to-aerosol size ratios and visualization of significant late-time ejections in the pyrolyzing cellulose suggest the formation of film bubbles in addition to the previously discovered jet formation mechanism.

09 BIOMASS FUELS↗
DOE OSTI2021

The changing nature of hydroclimatic risks across South Africa

We present results from large ensembles of projected twenty-first century changes in seasonal precipitation and near-surface air temperature for the nation of South Africa. These ensembles are a result of combining Monte Carlo projections from a human-Earth system model of intermediate complexity with pattern-scaled responses from climate models of the Coupled Model Intercomparison Project Phase 5 (CMIP5). These future ensemble scenarios consider a range of global actions to abate emissions through the twenty-first century. We evaluate distributions of surface-air temperature and precipitation change over three sub-national regions: western, central, and eastern South Africa. In all regions, we find that without any emissions or climate targets in place, there is a greater than 50% likelihood that mid-century temperatures will increase threefold over the current climate’s two-standard deviation range of variability. However, scenarios that consider more aggressive climate targets all but eliminate the risk of these salient temperature increases. A preponderance of risk toward decreased precipitation (3 to 4 times higher than increased) exists for western and central South Africa. Strong climate targets abate evolving regional hydroclimatic risks. Under a target to limit global climate warming to 1.5 °C by 2100, the risk of precipitation changes within South Africa toward the end of this century (2065–2074) is commensurate to the risk during the 2030s without any global climate target. Thus, these regional hydroclimate risks over South Africa could be delayed by 30 years and, in doing so, provide invaluable lead-time for national efforts to prepare, fortify, and/or adapt.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Influence of molecular shape on self-diffusion under severe confinement: A molecular dynamics study

In this study, we have investigated the effect of molecular shape and charge asymmetry on the translation dynamics of confined hydrocarbon molecules having different shapes but similar kinetic diameters, inside ZSM-5 pores using molecular dynamics simulations. The mean square displacement of propane, acetonitrile, acetaldehyde, and acetone in ZSM-5 exhibit two different regimes – ballistic and diffusive/sub-diffusive. All the molecules except propane exhibit sub-diffusive motion at time scales greater than 1 ps. The intermediate scattering functions reveal that there is a considerable rotational-translational coupling in the motion of all the molecules, due to the strong geometrical restriction imposed by ZSM-5. Overall the difference in shape and asymmetry in charge imposes severe restriction inside the ZSM-5 channels for all the molecules to different extents. Additionally, the behavior of molecules confined in ZSM-5 in the present study, quantified wherever possible, is compared to their behavior in bulk or in other porous media reported in literature.

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

Metastable Li 1+δ Mn 2 O 4 (0 ≤ δ ≤ 1) Spinel Phases Revealed by in Operando Neutron Diffraction and First-Principles Calculations

Here, we examine the reaction mechanisms driven by the lithiation of Li 1+δ Mn 2 O 4 (0 ≤ δ ≤ 1) spinels via in operando neutron powder diffraction (NPD). New reaction mechanisms are proposed involving solid-solution regions within both cubic and tetragonal spinel phases in addition to a continuous phase transition between them. In operando NPD is an ideal tool to follow the light elements such as lithium and oxygen in cathode materials which are often the key to fully understand their structural evolutions. Here, we report a novel methodology to prepare an extremely thick electrode with ~378 mg·cm –2 loading density suitable for the in operando NPD studies. Enabled by such thick electrode, we find that the metal oxygen M–O (M = Li and Mn) bond lengths in both end members LiMn 2 O 4 and Li 2 Mn 2 O 4 experience pronounced changes larger than dictated by the change in lattice parameters because of the locally formed Jahn–Teller distorted Mn 3+ . First-principles density functional theory calculations confirm these metastable intermediates and further propose atomistic reaction pathways for the phase transition by coupling a global structure search algorithm. In conclusion, these findings redefine the conventional understandings on two-phase reactions of this spinel material.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Photoemission and dynamical mean field theory study of electronic correlations in a t 2 g 5 metal SrRhO 3 thin film

Perovskite rhodates are characterized by intermediate strengths of both electronic correlation as well as spin-orbit coupling (SOC) and usually behave as moderately correlated metals. A recent publication on epitaxial SrRhO 3 thin films reported a bad-metallic behavior and suggested the occurrence of antiferromagnetism below 100 K. In this work, we have further studied this SrRhO 3 thin film by hard x-ray photoemission spectroscopy and found a very small density of states (DOS) at the Fermi level $(E_F)$, which is consistent with the previously reported bad-metallic behavior. However, the absence of DOS persists up to room temperature, which contradicts the explanation of antiferromagnetic transition at ~100 K. We also employed electronic structure calculations within the framework of density functional theory and dynamical mean-field theory. In contrast to the photoemission results, our calculations indicate metallic behaviors of both bulk SrRhO 3 and the SrRhO 3 thin film, and a stronger correlation effect was observed in the thin film than that in the bulk. The calculated uniform magnetic susceptibility is substantially larger in the thin film than that in the bulk. We also investigated the role of SOC and found only a moderate modulation of the band structure. Hence SOC is not expected to significantly affect the electronic correlation in SrRhO 3 . Extrinsic effects of finite-thickness effects beyond our calculations and localization effects may play important roles to induce the negligible spectral weight at $(E_F)$.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Field-induced intermediate ordered phase and anisotropic interlayer interactions in α-RuCl 3

In α-RuCl 3 , an external magnetic field applied within the honeycomb plane can induce a transition from a magnetically ordered state to a disordered state that is potentially related to the Kitaev quantum spin liquid. In zero field, single crystals with minimal stacking faults display a low-temperature state with in-plane zigzag antiferromagnetic order and a three-layer periodicity in the direction perpendicular to the honeycomb planes. In this work, we present angle-dependent magnetization, ac susceptibility, and thermal transport data that demonstrate the presence of an additional intermediate-field ordered state at fields below the transition to the disordered phase. Neutron-diffraction results show that the magnetic structure in this phase is characterized by a six-layer periodicity in the direction perpendicular to the honeycomb planes. Theoretically, the intermediate ordered phase can be accounted for by including spin-anisotropic couplings between the layers in a three-dimensional spin model. Together, this demonstrates the importance of interlayer exchange interactions in α-RuCl 3 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Static and dynamic properties of multi-ionic plasma mixtures

Complex plasma mixtures with three or more components are often encountered in astrophysics or in inertial confinement fusion (ICF) experiments. For mixtures containing species with large differences in atomic number Z, the modeling needs to consider at the same time the kinetic theory for low-Z elements combined with the theory of strongly coupled plasma for high-Z elements, as well as all the intermediate situations that can appear in multi-component systems. For such cases, we study the pair distribution functions, self-diffusions, mutual diffusion and viscosity for ternary mixtures at extreme conditions. These quantities can be produced from first principles using orbital free molecular dynamics at the computational expense of very intensive simulations to reach good statistics. Utilizing the first-principles results as reference data, we assess the merit of a global analytic model for transport coefficients, "Pseudo-Ions in Jellium" (PIJ), based on an iso-electronic assumption (iso-n e ). With a multi-component hypernetted-chain integral equation, we verify the quality of the iso-n e prescription for describing the static structure of the mixtures. This semi-analytical modeling compares well with the simulation results and allows one to consider plasma mixtures not accessible to simulations. Further, applications are given for the mix of materials in ICF experiments. A reduction of a multicomponent mixture to an effective binary mixture is also established in the hydrodynamic limit and compared with PIJ estimations for ICF relevant mixtures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Electronic surface reconstruction of TiO 2 nanocrystals revealed by resonant inelastic x-ray scattering

The identification of lattice multiphases in TiO 2 nanocrystals is studied by high resolution transmission electron microscope and electron diffraction patterns. Based on the spectroscopic analysis using soft x-ray absorption and resonant inelastic soft x-ray scattering, it is believed that the oxygen vacancies at the interface exhibit structural distortion of the TiO$^{8-}_6$ cluster around the defect site as for the multiphase lattice. We elucidate that the extra 3d electrons nearby induce the inelastic scattering features with the excitation energy dependence owing to different energy relaxation processes, a characteristic of the electron-phonon coupling or the nature of the electron-hole pair at the intermediate state. The manifold dd excitations driven by the strong interaction between Ti-3d and O-2p electrons are noticeably rich, coexisting on both Ti and O sites. Finally, this sophisticated experiment can advance the perspective of nanocomposite TiO 2 for various interactions of surface Ti 3+ in applications of future devices.

36 MATERIALS SCIENCE↗
NASA NTRS1983

Finite element analysis of fluid-filled elastic piping systems

Two finite element procedures are described for predicting the dynamic response of general 3-D fluid-filled elastic piping systems. The first approach, a low frequency procedure, models each straight pipe or elbow as a sequence of beams. The contained fluid is modeled as a separate coincident sequence axial members (rods) which are tied to the pipe in the lateral direction. The model includes the pipe hoop strain correction to the fluid sound speed and the flexibility factor correction to the elbow flexibility. The second modeling approach, an intermediate frequency procedure, follows generally the original Zienkiewicz-Newton scheme for coupled fluid-structure problems except that the velocity potential is used as the fundamental fluid unknown to symmetrize the coefficient matrices. From comparisons of the beam model predictions to both experimental data and the 3-D model, the beam model is validated for frequencies up to about two-thirds of the lowest fluid-filled labor pipe mode. Accurate elbow flexibility factors are seen to be crucial for effective beam modeling of piping systems.

Everstine, G. C.↗