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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Unsaturated Ligands Seed an Order to Disorder Transition in Mixed Ligand Shells of CdSe/CdS Quantum Dots

A phase transition within the ligand shell of core/shell quantum dots is studied in the prototypical system of colloidal CdSe/CdS quantum dots with a ligand shell composed of bound oleate (OA) and octadecylphosphonate (ODPA). The ligand shell composition is tuned using a ligand exchange procedure and quantified through proton NMR spectroscopy. Temperature-dependent photoluminescence spectroscopy reveals a signature of a phase transition within the organic ligand shell. Surprisingly, the ligand order to disorder phase transition triggers an abrupt increase in the photoluminescence quantum yield (PLQY) and full-width at half-maximum (FWHM) with increasing temperature. The temperature and width of the phase transition show a clear dependence on ligand shell composition, such that QDs with higher ODPA fractions have sharper phase transitions that occur at higher temperatures. In order to gain a molecular understanding of the changes in ligand ordering, Fourier transform infrared and vibrational sum frequency generation spectroscopies are performed. These measurements confirm that an order/disorder transition in the ligand shell tracks with the photoluminescence changes that accompany the ligand phase transition. The phase transition is simulated through a lattice model that suggests that the ligand shell is well-mixed and does not have completely segregated domains of OA and ODPA. Finally, we show that the unsaturated chains of OA seed disorder within the ligand shell.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2010

Preferential CO Oxidation in Hydrogen: Reactivity of Core-Shell Nanoparticles

We report on the first-principles-guided design, synthesis, and characterization of core-shell nanoparticle (NP) catalysts made of a transition metal core (M ) Ru, Rh, Ir, Pd, or Au) covered with a ~1-2 monolayer thick shell of Pt atoms (i.e., a M@Pt core-shell NP). An array of experimental techniques, including X-ray diffraction, Fourier transform infrared spectroscopy, high resolution transmission electron microscopy, and temperature-programmed reaction, are employed to establish the composition of the synthesized NPs. Subsequent studies of these NPs’ catalytic properties for preferential CO oxidation in hydrogen-rich environments (PROX), combined with Density Functional Theory (DFT)-based mechanistic studies, elucidate important trends and provide fundamental understanding of the reactivity of Pt shells as a function of the core metal. Both the PROX activity and selectivity of several of these M@Pt core-shell NPs are significantly improved compared to monometallic and bulk nonsegregated bimetallic nanoalloys. Among the systems studied, Ru@Pt core-shell NPs exhibit the highest PROX activity, where the CO oxidation is complete by 30 °C (1000 ppm CO in H 2 ). Therefore, despite their reduced Pt content, M@Pt core-shell NPs afford the design of more active PROX catalysts. DFT studies suggest that the relative differences in the catalytic activities for the various core-shell NPs originate from a combination of (i) the relative availability of CO-free Pt surface sites on the M@Pt NPs, which are necessary for O 2 activation, and (ii) a hydrogen-mediated low-temperature CO oxidation process that is clearly distinct from the traditional bifunctional CO oxidation mechanism.

08 HYDROGEN↗
DOE OSTI2025

Depletion of the Protein Hydration Shell with Increasing Temperature Observed by Small-Angle X-ray Scattering and Molecular Simulations

The hydration shell is an integral part of proteins since it plays key roles in conformational transitions, molecular recognition, and enzymatic activity. While the dynamics of the hydration shell have been described by spectroscopic techniques, the structure of the hydration shell remains less understood due to the lack of hydration shell-sensitive structural probes with high spatial resolution. We combined temperature-ramp small-angle X-ray scattering (T-ramp SAXS) from 255 to 335 K with molecular simulations to demonstrate that the hydration shells of the IgG-binding domain of Protein G (GB3) and the villin headpiece are remarkably temperature-sensitive. For proteins in the folded state, T-ramp SAXS data and explicit-solvent SAXS predictions consistently demonstrate decays of protein contrasts and radii of gyration with increasing temperature, which are shown to reflect predominantly temperature-sensitive, depleting hydration shells. The depletion is caused not merely by enhanced disorder within the hydration shells but also by partial displacements of surface-coordinated water molecules. Together, T-ramp SAXS and explicit-solvent SAXS calculations provide a novel structural view of the protein hydration shell, which underlies temperature-dependent processes such as cold denaturation, thermophoresis, or biomolecular phase separation.

electron density↗
DOE OSTI2016

Mesoscale structure of chiral nematic shells

There is considerable interest in understanding and controlling topological defects in nematic liquid crystals (LCs). Confinement, in the form of droplets, has been particularly effective in that regard. Here, we employ a Landau–de Gennes formalism to explore the geometrical frustration of nematic order in shell geometries, and focus on chiral materials. By varying the chirality and thickness in uniform shells, we construct a phase diagram that includes tetravalent structures, bipolar structures (BS), bent structures and radial spherical structures (RSS). It is found that, in uniform shells, the BS-to-RSS structural transition, in response to both chirality and shell geometry, is accompanied by an abrupt change of defect positions, implying a potential use for chiral nematic shells as sensors. Finally, we investigate thickness heterogeneity in shells and demonstrate that non-chiral and chiral nematic shells exhibit distinct equilibrium positions of their inner core that are governed by shell chirality c.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Development of a directly driven multi-shell platform: Laser drive energetics

Simulations predict that directly driven multi-shell targets can provide a robust alternative to conventional high-convergence implosion concepts by coupling two to three times more energy into the final igniting thermonuclear fuel assembly than indirect-drive concepts. The three-shell directly driven Revolver concept [K. Molvig, M. J. Schmitt, B. J. Albright, E.S. Dodd, N.M. Hoffman, G.H. McCall, and S.D. Ramsey, Phys. Rev. Lett. 116, 255003 (2016)] utilizes a design that maximizes laser energy conversion into inward kinetic energy of the outermost ablator shell (~9%) while minimizing the DT fuel convergence (~9) to reduce the mixing of material from the innermost shell into the fuel. Inherent in this design concept is the use of 192 narrow beams (with a 1/e laser beam-to-capsule diameter ratio of 0.33) from the National Ignition Facility laser pointed in a polar direct drive laser configuration. In this paper, we demonstrate that low average laser intensity at the capsule surface (≤300 TW/cm 2 ) limits the measured laser backscatter, indicating that a greater amount of laser energy is coupled into the target. Omega experiments have been performed to determine the coupling of laser energy to the outermost shell of a scaled Revolver target (i.e., the ablator shell) by measuring capsule implosion trajectories and scattered-light fractions for two different drive configurations. Comparisons of simulated shell trajectory and velocity profiles with experimental data obtained from self-emission images show good agreement and are consistent with measured scattered light data. Furthermore, the low levels of scattered light measured are consistent with post-shot simulation results that show high hydro-coupling efficiency. These results strengthen the case for using narrow beams at low intensity to drive large ablator capsules for future direct-drive, multi-shell ignition concepts.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Computational study of instability and fill tube mitigation strategies for double shell implosions

Double shell capsules are an attractive alternative scheme for achieving robust alpha-heating at the National Ignition Facility due to their low convergence ratio and low predicted temperature for achieving volume ignition. Nevertheless, simulations suggest that double shell targets are more susceptible to the fill tube, used to fill the inner shell with liquid DT, than typical single-shell ignition capsule designs, due to the higher density gradient between the shell and the fill tube hole, a lower outer shell velocity, which prevents the implosion from catching up to the initial fill tube jet, and the absence of a rebounding shock through the foam to slow this jet. Double shells are also highly susceptible to the Rayleigh-Taylor instability at both interfaces with the high density inner shell. Combined, these effects are predicted by radiation-hydrodynamics simulations to reduce fuel confinement and temperature, resulting in reduced performance by a factor of ≈20–45, depending on design details, compared to idealized one-dimensional (1D) simulations. We discuss herein a mitigation strategy for both the interfacial instabilities and the fill tube that is predicted by simulations to decrease the yield degradation to a factor of ≈4. The mitigation strategy involves a modification of the capsule geometry as well as the use of a multishock pulse shape. The multishock pulse is required for the fill tube mitigation strategy and has the added benefit of stabilizing perturbations at the foam/pusher interface without decreasing 1D yield. In order to experimentally verify these predictions, we discuss the potential use of a hydrogrowth radiography platform that could be applied to test the proposed mitigation strategies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

AT Cnc: A SECOND DWARF NOVA WITH A CLASSICAL NOVA SHELL

We are systematically surveying all known and suspected Z Cam-type dwarf novae for classical nova shells. This survey is motivated by the discovery of the largest known classical nova shell, which surrounds the archetypal dwarf nova Z Camelopardalis. The Z Cam shell demonstrates that at least some dwarf novae must have undergone classical nova eruptions in the past, and that at least some classical novae become dwarf novae long after their nova thermonuclear outbursts, in accord with the hibernation scenario of cataclysmic binaries. Here we report the detection of a fragmented 'shell', 3 arcmin in diameter, surrounding the dwarf nova AT Cancri. This second discovery demonstrates that nova shells surrounding Z Cam-type dwarf novae cannot be very rare. The shell geometry is suggestive of bipolar, conical ejection seen nearly pole-on. A spectrum of the brightest AT Cnc shell knot is similar to that of the ejecta of the classical nova GK Per, and of Z Cam, dominated by [N II] emission. Galaxy Evolution Explorer FUV imagery reveals a similar-sized, FUV-emitting shell. We determine a distance of 460 pc to AT Cnc, and an upper limit to its ejecta mass of {approx}5 Multiplication-Sign 10{sup -5} M {sub Sun }, typical of classical novae.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Tunability of exchange bias in Ni@NiO core-shell nanoparticles obtained by sequential layer deposition

Films of magnetic Ni@NiO core-shell nanoparticles (NPs, core diameter d congruent to 12 nm, nominal shell thickness variable between 0 and 6.5 nm) obtained with sequential layer deposition were investigated, to gain insight into the relationships between shell thickness/morphology, core-shell interface, and magnetic properties. Different values of NiO shell thickness t(s) could be obtained while keeping the Ni core size fixed, at variance with conventional oxidation procedures where the oxide shell is grown at the expense of the core. Chemical composition, morphology of the as-produced samples and structural features of the Ni/NiO interface were investigated with x-ray photoelectron spectroscopy and microscopy (scanning electron microscopy, transmission electron microscopy) techniques, and related with results from magnetic measurements obtained with a superconducting quantum interference device. The effect of the shell thickness on the magnetic properties could be studied. The exchange bias (EB) field H-bias is small and almost constant for t(s) up to 1.6 nm; then it rapidly grows, with no sign of saturation. This behavior is clearly related to the morphology of the top NiO layer, and is mostly due to the thickness dependence of the NiO anisotropy constant. The ability to tune the EB effect by varying the thickness of the last NiO layer represents a step towards the rational design and synthesis of core-shell NPs with desired magnetic properties.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2011

DETECTION OF THE DETACHED DUST SHELL OF U ANTLIAE AT MID-INFRARED WAVELENGTHS WITH AKARI/IRC

We report mid-infrared (MIR) imaging observations of the carbon star U Ant made with the Infrared Camera (IRC) on board AKARI. Subtraction of the artifacts and extended point-spread function of the central star reveals the detached dust shell around the carbon star at MIR wavelengths (15 and 24 {mu}m) for the first time. The observed radial brightness profiles of the MIR emission are well explained by two shells at 43'' and 50'' from the central star detected in optical scattered light observations. Combining Herschel/PACS, AKARI/FIS, and AKARI/IRC data, we obtain the infrared spectral energy distribution (SED) of the thermal emission from the detached shell of U Ant in a wide infrared spectral range of 15-160 {mu}m. Thermal emission of amorphous carbon grains with a single temperature cannot account for the observed SED from 15 to 160 {mu}m: it underestimates the emission at 15 {mu}m. Alternatively, the observed SED is fitted by the model in which amorphous carbon grains in the two shells have different temperatures of 60 and 104 K, which allocates most dust mass in the shell at 50''. This supports the previous suggestion that the 43'' shell is gas-rich and the 50'' shell is dust-rich. We suggest a possibility that the segregation of the gas and dust resulting from the drift motion of submicron-sized dust grains relative to the gas and that the hot dust component associated with the gas-rich shell is composed of very small grains that are strongly coupled with the gas.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Electromagnetic observables of open-shell nuclei from coupled-cluster theory

Here we develop a new method to describe electromagnetic observables of open-shell nuclei with two nucleons outside a closed shell. This approach combines the equation-of-motion coupled-cluster method for such systems and the Lorentz integral transform technique, expanding the applicability of coupled-cluster theory for electromagnetic observables beyond closed-(sub)shell nuclei. To validate this new approach, we compute the non-energy-weighted dipole sum rule and the dipole polarizability of 16,24 ⁢O in both the closed-(sub)shell and the new equation-of-motion coupled-cluster frameworks, finding agreement within error bars. We then analyze the evolution of the dipole polarizability along the oxygen and calcium isotopic chains. Our predictions agree well with available experimental data and other available theoretical calculations for the closed-(sub)shell 16,22 ⁢O and the open-shell 18 O. In the calcium isotopes, we observe that our dipole polarizability predictions for open-shell nuclei are lower than those of closed-(sub)shell nuclei. We expect that our predictions for 24 O and 54,56 ⁢Ca will motivate future experimental studies at the drip line.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Direct-drive double-shell implosion: A platform for burning-plasma physics studies

Double-shell ignition designs have been investigated with the indirect-drive inertial confinement fusion (ICF) scheme in both simulations and experiments in which the inner-shell kinetic energy was limited to ~10 to 15 kJ, even driven by megajoule-class lasers such as the National Ignition Facility. Since direct-drive ICF can couple more energy to the imploding shells, we have performed a detailed study on direct-drive double-shell (D 3 S) implosions with state-of-the-art physics models implemented in radiation-hydrodynamic codes (LILAC and DRACO), including nonlocal thermal transport, cross-beam energy transfer (CBET), and first-principles-based material properties. To mitigate classical unstable interfaces, we have proposed the use of a tungsten/beryllium–mixed inner shell with gradient-density layers that can be made by magnetron sputtering. In our D 3 S designs, a 70-μm-thick beryllium outer shell is driven symmetrically by a high-adiabat (α ≥ 10), 1.9-MJ laser pulse to a peak velocity of ~240 km/s. Upon spherical impact, the outer shell transfers ~30 to 40 kJ of kinetic energy to the inner shell filled with deuterium–tritium gas or liquid, giving neutron-yield energies of ~6 MJ in 1-D simulations. Two-dimensional high-mode DRACO simulations indicated that such high-adiabat D 3 S implosions are not susceptible to laser imprint, but the long-wavelength perturbations from the laser port configuration along with CBET can be detrimental to the target performance. Yet, neutron yields of ~0.3- to 1.0-MJ energies can still be obtained from our high-mode DRACO simulations. The robust α-particle bootstrap is readily reached, which could provide a viable platform for burning-plasma physics studies. Once CBET mitigation and/or more laser energy becomes available, we believe that breakeven or moderate energy gain might be feasible with the proposed D 3 S scheme.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Measurement of the shell decompression in direct-drive inertial-confinement-fusion implosions

Measurement of the effect of adiabat (α) on the shell thickness were performed in direct-drive implosions. When reducing the adiabat of the shell from α = 6 to α = 4:5, the shell thickness was measured to decrease from 75 μm to 60 μm, but when decreasing the adiabat further (α = 1:8), the shell thickness was measured to increase to 75 μm. The measured shell thickness, shell trajectories, neutron bang time, and neutron yield were reproduced by two dimensional simulations that include laser imprint, nonlocal thermal transport, cross-beam energy transfer, and first-principles equation-of-state models. The minimum core size was measured to decrease from 40 μm to 30 μm, consistent with the reduction of the adiabat from α = 6 to α = 1:8. Simulations that neglected imprint reproduced the measured core size of the entire adiabat scan, but signi cantly underestimate the shell thickness for adiabat below ~3. These results show that the decompression of the shell measured for low-adiabat implosions was a result of laser imprint.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Metal oxide core shell nanostructures as building blocks for efficient light emission (SISGR)

The objective of this research is to synthesize core-shell nano-structured metal oxide materials and investigate their structural, electronic and optical properties to understand the microscopic pathways governing the energy conversion process, thereby controlling and improving their efficiency. Specifically, the goal is to use a single metal oxide core-shell nanostructure and a single excitation source to generate photons with long emission lifetime over the entire visible spectrum and when controlled at the right ratio, generating white light. In order to achieve this goal, we need to control the energy transfer between light emitting elements, which dictates the control of their interatomic spacing and spatial distribution. We developed an economical wet chemical process to form the nanostructured core and to control the thickness and composition of the shell layers. With the help from using DOE funded synchrotron radiation facility, we delineated the growth mechanism of the nano-structured core and the shell layers, thereby enhancing our understanding of structure-property relation in these materials. Using the upconversion luminescence and the lifetime measurements as effective feedback to materials sysnthes is and integration, we demonstrated improved luminescence lifetimes of the core-shell nano-structures and quantified the optimal core-multi-shell structure with optimum shell thickness and composition. We developed a rare-earths co-doped LaPO 4 core-multishell structure in order to produce a single white light source. It was decided that the mutli-shell method would produce the largest increase in luminescence efficiency while limiting any energy transfer that may occur between the dopant ions. All samples resulted in emission spectra within the accepted range of white light generation based on the converted CIE color coordinates. The white light obtained varied between warm and cool white depending on the layering architecture, allowing for the utilization into a wide range of applications. With DOE’s overall mandate to reduce the US’s dependence on rare-earth elements, this work demonstrated how to make every RE atom count toward white light generation by controlling their spatial distribution thereby significantly reducing the amount needed. This is one approach toward reducing the dependence on RE elements and the strategies we developed can be used in discovering RE-free systems. The project is of benefit to the general public as it improves the optical efficiency of these materials, while reducing US’s dependence on RE elements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1983

Propagation of flexural and membrane waves with fluid loaded NASTRAN plate and shell elements

Modeling of flexural and membrane type waves existing in various submerged (or in vacuo) plate and/or shell finite element models that are excited with steady state type harmonic loadings proportioned to e(i omega t) is discussed. Only thin walled plates and shells are treated wherein rotary inertia and shear correction factors are not included. More specifically, the issue of determining the shell or plate mesh size needed to represent the spatial distribution of the plate or shell response is of prime importance towards successfully representing the solution to the problem at hand. To this end, a procedure is presented for establishing guide lines for determining the mesh size based on a simple test model that can be used for a variety of plate and shell configurations such as, cylindrical shells with water loading, cylindrical shells in vacuo, plates with water loading, and plates in vacuo. The procedure for doing these four cases is given, with specific numerical examples present only for the cylindrical shell case.

Kalinowski, A. J.↗
NASA NTRS1985

Blast wave formation of the extended stellar shells surrounding elliptical galaxies

The existence of stellar shells at large distances from isolated elliptical galaxies is explained in terms of a blast wave associated with an active nucleus phase early in the history of the galaxy. The blast wave sweeps the initial interstellar medium out of the galaxy into an expanding shell which radiatively cools behind its leading shock front. Cooling of the shell following turnoff of the nucleus activity, which keeps the shell photoionized, leads to a brief epoch of star formation which is terminated by heating of the shell from supernovae and UV radiation from massive stars. The stars so formed follow similar, highly radial, bound orbits, moving in phase with each other and spending much of their time near apogalacteum, thus taking on the appearance of a shell. Multiple shells may be produced when conditions allow repeated episodes of shell cooling and supernovae heating to occur in the blast wave.

Williams, R. E.↗
NASA NTRS1994

The origin of extended interstellar shells around Wolf-Rayet stars having bright optical ring nebulae

Investigations of the interstellar environment around Wolf-Rayet (WR) stars have lead to the discovery of extended shells of gas and dust 50-100 pc in diameter in the lines of sight toward three WR stars. In this paper, several origins for these extended shells are discussed. While positional coincidences cannot be excluded, the locations of the WR stars near the projected centers of the shells, the detection of only shortward-shifted, high-velocity UV absorption line components in their IUE spectra, plus commonality of some WR star properties which are rare in the general WR star population suggest some casual connections between the WR stars and formation of interstellar shells. To access whether the high-velocity UV interstellar absorption lines are a frequent phenomenon related to WR stellar winds, we present a survey of such features in all WR stars observed with IUE through 1991. Of 35 stars studied, only four are found to have components with velocity displacements greater than 45 km/s which are not attributable to previously identified OB association superbubbles. The means a surprising 82% of non-OB association WR stars show no evidence of high-velocity gas in their lines of sight at IUE's spectral resolution, suggesting that high-velocity interstellar absorption lines are not a common consequence of Wolf-Rayet star stellar winds alone. We review the properties of three WR stars (HD 50896, HD 96548, and HD 192163) which may reside inside extended interstellar shells and find that they are similar in terms of spectral class (WN5-8), presence of an optical ring nebula, and reported photometric variability. Evaluation of possible origins of the extended shells suggests these three stars are in a post X-ray binary stage of high-mass binary star evolution. If this is correct, then the large interstellar shells detected might be evidence of either supernova remnant shells generated by the explosion of the binary's primary star, or non-conservative mass transfer during a Roche Lobe overflow stage of the binary after the supernova explosion. In either of these cases the bright optical ring nebulae associated with these three WR stars may signify recent Roche Lobe overflows consistent with spectroscopic abundance analysis.

Nichols, J. S.↗
NASA NTRS1994

Drift shells and aurora computed using the O8 magnetic field model for Neptune

Charged particle drift shells are calculated using the O8 magnetic field model for Neptune. Inner drift shell morphologies differ significantly from dipolar drift shells for the parts of drift shells inward of r = 2 R(sub N). Outer drift shells (L approx. greater than 10), when traced down to Neptune's surface following magnetic field lines, are simple closed loops around magnetic poles. Inner drift shells (L approx. less than 4), on the other hand, when traced to the surface, are also single loops but stretched in a previously unknown way: sometimes with a cusp and sometimes into two joined loops. Inner drift shell footprints on R = 1 provide the basis for identifying precipitation L shells, interpreting observed aurora, and predicting additional emissions on that part of Neptune's surface unobserved by the Ultraviolet Spectrometer (UVS). Precipitation in a global magnetic anomaly, `ordinary' auroral precipitation near the south magnetic pole, and precipitation from field lines with no magnetic field minimum above Neptune's exobase collectively appear to account for all of the observed auroral emission regions at Neptune. To the extent that aurora can be understood in this model, it is suggested O8 may be reasonably accurate.

Paranicas, C.↗
NASA NTRS1998

The NASA Monographs on Shell Stability Design Recommendations: A Review and Suggested Improvements

A summary of existing NASA design criteria monographs for the design of buckling-resistant thin-shell structures is presented. Subsequent improvements in the analysis for nonlinear shell response are reviewed, and current issues in shell stability analysis are discussed. Examples of nonlinear shell responses that are not included in the existing shell design monographs are presented, and an approach for including reliability based analysis procedures in the shell design process is discussed. Suggestions for conducting future shell experiments are presented, and proposed improvements to the NASA shell design criteria monographs are discussed.

Nemeth, Michael P.↗