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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Tunable silica shell and its modification on photoluminescent properties of Y{sub 2}O{sub 3}:Eu{sup 3+}-SiO{sub 2} nanocomposites

The core-shell rare earth (RE) doped nanophosphors are attracting current interests owing to their potential application in bio-images. Understanding the modification of core-shell structure on photoluminescent (PL) properties of RE ions is important in obtaining efficient nanophosphors. In this paper, Y{sub 2}O{sub 3}:Eu{sup 3+}-SiO{sub 2} composites with fixed cubic Y{sub 2}O{sub 3}:Eu{sup 3+} core ({approx}80 nm) and controllable thickness of silica shell ({approx}3-21 nm) were synthesized via a modified Stoeber method and characterized by x-ray diffraction patterns, transmission electronic microscope images, and Fourier-transform infrared absorption spectra. The dependences of PL properties of Y{sub 2}O{sub 3}:Eu{sup 3+} on the thickness of the silica shell and excitation power density were systemically studied under charge transfer excitation (254 nm) and {sup 7}F{sub J}-{sup 5}D{sub 2} inner-shell excitation (460-486 nm). It is interesting to observe that under {sup 7}F{sub J}-{sup 5}D{sub 2} excitation the intensity ratio of {sup 5}D{sub 0}-{sup 7}F{sub 2}/{sup 5}D{sub 0}-{sup 7}F{sub J} (J {ne} 2) for Eu{sup 3+} increases considerably with the increase of shell thickness and decreases with the increasing excitation power density, which confirms the variation of long-scale radiative energy transfer (RET) among Eu{sup 3+} ions and redistribution of {sup 5}D{sub 0}-{sup 7}F{sub J}(J = 0-4) transitions. And more, the radiative decay time of {sup 5}D{sub 0}-{sup 7}F{sub J} as a function of shell thickness demonstrates an optimum, which are assigned to the co-impacts of effective refractive index (n{sub eff}) and RET among Eu{sup 3+} ions.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Preheat of radiative shock in double-shell ignition targets

For the double-shell ignition target, the nonuniform preheat of the inner shell by high-energy x rays, especially the M-band line radiation and L-shell radiation from the Au hohlraum, aggravates the hydrodynamic instability that causes shell disruption. In this paper, for the first time, we propose another preheating mechanism due to the radiative shock formed in the CH foam, and also confirm and validate such preheat of radiative shock by numerical results. We also give an estimate of the improved double-shell in which the CH foam is replaced by the metallic foam to mitigate the hydrodynamic instabilities, and find that the radiative shock formed in the metallic foam produces a much stronger radiation field to preheat the inner shell, which plays a role in better controlling the instabilities. In double-shells, the preheat of radiative shock, as a potential effect on the instabilities, should be seriously realized and underlined.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Shell effects in hot nuclei and their influence on nuclear composition in supernova matter

We calculate nuclear composition in supernova (SN) matter explicitly taking into account the temperature dependence of nuclear shell effects. The abundance of nuclei in SN matter is important in the dynamics of core-collapse supernovae and, in recently constructed equations of state (EOS) for SN matter, the composition of nuclei are calculated assuming nuclear statistical equilibrium wherein the nuclear internal free energies govern the composition. However, in these EOS, thermal effects on the shell energy are not explicitly taken into account. To address this shortfall, we calculate herein the shell energies of hot nuclei and examine their influence on the composition of SN matter. Following a simplified macroscopic-microscopic approach, we first calculate single-particle (SP) energies by using a spherical Woods-Saxon potential. Then we extract shell energies at finite temperatures using Strutinsky method with the Fermi distribution as the average occupation probability of the SP levels. The results show that at relatively low temperatures, shell effects are still important and magic nuclei are abundant. However, at temperatures above approximately 2 MeV, shell effects are almost negligible, and the mass fractions with shell energies including the thermal effect are close to those obtained from a simple liquid drop model at finite temperatures.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Reduced instability growth and improved radiation trapping with optimized shock timing in double-shell inertial confinement fusion capsules

The double shell is a volume-burn inertial confinement fusion concept consisting of two concentric shells: a low-Z outer shell that collides with and transfers momentum to a high-Z inner shell which compresses and heats the thermonuclear fuel. The increased number of capsule interfaces and severe hydrodynamic instability of the high-density pusher during its acceleration phase provide challenges to the success of the double shell. Two-dimensional radiation-hydrodynamics simulations predict the hydrodynamic instability growth on the outer surface of the pusher can be greatly reduced through appropriate timing of two shocks that cross this interface. One of these shocks, unique to multi-shell designs, arises from radiation-driven ablation of the inner shell ahead of the main shock, the second shock of concern. The shock timing is optimized by increasing the thickness of a low-Z tamper layer exterior to the pusher, resulting in only minimal changes to the implosion timing. Reducing the instability growth on the outer surface of the high-Z pusher can dramatically decrease the modulations that feedthrough to the pusher inner surface, improving the efficacy of radiation trapping in the thermonuclear fuel and increasing the predicted thermonuclear yield by ≳20×.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Probing proton cross-shell excitations through the two-neutron removal from 38 Ca

Bound states of the neutron-deficient, near-dripline nucleus 36 Ca were populated in two-neutron removal from the ground state of 38 Ca, a direct reaction sensitive to the single-particle configurations and couplings of the removed neutrons in the projectile wave function. Final-state exclusive cross sections for the formation of 36 Ca and the corresponding longitudinal momentum distributions, both determined through the combination of particle and γ-ray spectroscopy, are compared to predictions combining eikonal reaction theory and shell-model two-nucleon amplitudes from the USDB, USDC, and ZBM2 effective interactions. The final-state cross-section ratio σ($2$$^{+}_{1}$) / σ (0 + ) shows particular sensitivity and is approximately reproduced only with the two-nucleon amplitudes from the ZBM2 effective interaction that includes proton cross-shell excitations into the pf shell. Characterizing the proton pf-shell occupancy locally and schematically, an increase of the sd – pf shell gap by 250 keV yields an improved description of this cross-section ratio and simultaneously enables a reproduction of the B(E2;$0$$^{+}_{1}$ → $2$$^{+}_{1}$) excitation strength of 36 Ca. Furthermore, this highlights an important aspect if a new shell-model effective interaction for the region was to be developed on the quest to model the neutron-deficient Ca isotopes and surrounding nuclei whose structure is impacted by proton cross-shell excitations.

20 ≤ A ≤ 38↗
DOE OSTI2011

Resource Letter NSM-1: New insights into the nuclear shell model

This Resource Letter provides a guide to the literature on the spherical shell model as applied to nuclei. The nuclear shell model describes the structure of nuclei starting with a nuclear core developed by the classical neutron and proton magic numbers N,Z=2,8,20,28,50,82, 126, where gaps occur in the single-particle energies as a shell is filled, and the interactions of valence nucleons that reside beyond that core. Various modern extensions of this model for spherical nuclei are likewise described. Significant extensions of the nuclear shell model include new magic numbers for spherical nuclei and now for deformed nuclei as well. When both protons and neutrons have shell gaps at the same spherical or deformed shapes, they can reinforce each other to give added stability to that shape and lead to new magic numbers. The vanishings of the classical spherical shell model energy gaps and magic numbers in new neutron-rich nuclei are described. Spherical and deformed shell gaps are seen to be critical for the existence of elements with Z > 100.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Transition‐Metal Nitride Core@Noble‐Metal Shell Nanoparticles as Highly CO Tolerant Catalysts

Abstract Core–shell architectures offer an effective way to tune and enhance the properties of noble‐metal catalysts. Herein, we demonstrate the synthesis of Pt shell on titanium tungsten nitride core nanoparticles (Pt/TiWN) by high temperature ammonia nitridation of a parent core–shell carbide material (Pt/TiWC). X‐ray photoelectron spectroscopy revealed significant core‐level shifts for Pt shells supported on TiWN cores, corresponding to increased stabilization of the Pt valence d‐states. The modulation of the electronic structure of the Pt shell by the nitride core translated into enhanced CO tolerance during hydrogen electrooxidation in the presence of CO. The ability to control shell coverage and vary the heterometallic composition of the shell and nitride core opens up attractive opportunities to synthesize a broad range of new materials with tunable catalytic properties.

Garg, Aaron↗
DOE OSTI2019

Coupled Thermoelasticity Problem for Multilayer Composite Shells of Revolution. II. Applied Problems

We deduce a system of nonclassical nonlinear differential equations of coupled thermoelasticity for multilayer composite anisotropic shells of revolution in a coordinate system connected with the lines of curvature of the reference surface. The constructed nonclassical model of deformation of a multilayer shell and the nonlinear model of distribution of heat fluxes over the thickness of the shell enable us to take into account the transverse shear strains and guarantee the validity of the conditions of thermal and mechanical conjugation of the layers and the conditions of thermomechanical loading on the faces of the shell. We deduce the linearized differential equations of the axisymmetric coupled problem of thermoelasticity for a conic reinforced multilayer shell and solve the quasistatic problem of thermoelasticity for a two-layer cylindrical shell cross-reinforced in the direction of helical lines. By using the structural approach to the formulation of the criteria of strength for composite materials, we determine the loads of the onset of fracture of the binder and reinforcing elements of a two-layer metal-composite cylindrical shell.

42 ENGINEERING↗
DOE OSTI2019

Skin and Proximity Effects in Electrodes and Furnace Shells

A review of two-dimensional (2D) analytical models of skin and proximity effects in large industrial furnaces with three electrodes arranged in an equilateral triangle is given. The models cover three different cases: one electrode only, three electrodes where two are approximated by line currents, and induced shell currents where all electrodes are approximated by line currents. The first two models show how the skin and proximity effects depend on electrode material properties and size, and the distance between the electrodes. The third model shows how the strength of the induced shell currents will depend on electrode position and furnace size. These models are compared to numerical studies including distributed electrodes and shell currents. The analytical models are accurate when induced shell currents can be disregarded. However, strong shell currents may have a significant impact on the current distribution within the electrodes. This electrode-shell proximity effect competes with the electrode-electrode proximity effect. Finally, the 2D models have been compared with three-dimensional (3D) case studies of large industrial furnaces. In 3D, the shell currents are significantly smaller than what are predicted by the 2D models, but they are sufficiently strong to cause a significant correction of the electrode current density.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Platinum Monolayer on IrFe Core-Shell Nanoparticle Electrocatalysts for the Oxygen Reduction Reaction

We synthesized high activity and stability platinum monolayer on IrFe core-shell nanoparticle electrocatalysts. Carbon-supported IrFe core-shell nanoparticles were synthesized by chemical reduction and subsequent thermal annealing. The formation of Ir shells on IrFe solid-solution alloy cores has been verified by scanning transmission electron microscopy coupled with energy-loss spectroscopy (EELS) and in situ X-ray absorption spectroscopy. The Pt monolayers were deposited on IrFe core-shell nanoparticles by galvanic replacement of underpotentially deposited Cu adatoms on the Ir shell surfaces. The specific and Pt mass activities for the ORR on the Pt monolayer on IrFe core-shell nanoparticle electrocatalyst are 0.46 mA/cm{sup 2} and 1.1 A/mg{sub Pt}, which are much higher than those on a commercial Pt/C electrocatalyst. High durability of Pt{sub ML}/IrFe/C has also been demonstrated by potential cycling tests. These high activity and durability observed can be ascribed to the structural and electronic interaction between the Pt monolayer and the IrFe core-shell nanoparticles.

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

Facile approach to prepare hollow core–shell NiO microspherers for supercapacitor electrodes

A facile lamellar template method (see image) has been developed for the preparation of uniform hollow core–shell structure NiO (HCS–NiO) with a nanoarchitectured wall structure. The prepared NiO was found to be highly crystalline in uniform microstructures with high specific surface area and pore volume. The results indicated that ethanol interacted with trisodium citrate played an important role for the formation of hollow core–shell spheres. On the basis of the analysis of the composition and the morphology, a possible formation mechanism was investigated. NiO microspheres with hollow core–shell showed excellent capacitive properties. The exceptional cyclic, structural and electrochemical stability with ∼95% coulombic efficiency, and very low ESR value from impedance measurements promised good utility value of hollow core–shell NiO material in fabricating a wide range of high-performance electrochemical supercapacitors. - The hollow core–shell NiO was prepared with a facile lamellar template method. The prepared NiO show higher capacitance, lower ion diffusion resistance and better electroactive surface utilization for Faradaic reactions. - Highlights: • Formation of hollow core–shell NiO via a novel and facile precipitation route. • Exhibited uniform feature sizes and high surface area of hollow core–shell NiO. • Synthesized NiO has high specific capacitance ( 448 F g{sup 1}) and very low ESR value. • Increased 20% of long life cycles capability after 500 charge–discharge cycles.

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

Production of core–shell type conducting FTO/TiO{sub 2} photoanode for dye sensitized solar cells

Core–shell type photoanode composed of electrically conducting fluorine doped tin dioxide (FTO) matrix and TiO{sub 2} shell layer was prepared and applied in dye sensitized solar cells. Effects of fluorine doping on tin dioxide based cells and precursor material on shell layer were investigated. Fluorine doped tin dioxide nanoparticles were synthesized under hydrothermal conditions and resistivity value down to 17 Ω cm was achieved. Cells constructed from FTO nanoparticles show enhanced performance compared to intrinsic SnO{sub 2}. Deposition of thin blocking TiO{sub 2} layers was conducted using ammonium hexafluorotitanate and titanium tetrachloride aqueous solutions for different dipping durations which yielded significant deviations in the layer morphology and affected cell parameters. Best results were obtained with titanium tetrachloride treated cells giving 11.51 mA/cm{sup 2} photocurrent density and they were comparable with that of pure TiO{sub 2} based cells prepared under identical conditions. - Graphical abstract: Core shell type FTO matrix was formed as TiO{sub 2} is the shell material to create a blocking layer between FTO core and the electrolyte for suppressed recombination and efficiency enhancement. Display Omitted - Highlights: • Core–shell type photoanode using conducting FTO matrix and TiO{sub 2} shell was prepared. • FTO nanoparticles having resistivity value down to 17 Ω cm was achieved. • Best cell parameters were obtained with TiCl{sub 4} treated cells. • FTO nanoparticle based cells show enhanced performance compared to intrinsic SnO{sub 2}. • Photocurrent in TiCl{sub 4} treated cells is found as comparable to pure TiO{sub 2} cell.

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

Morphology-controlled synthesis of Ti{sup 3+} self-doped yolk–shell structure titanium oxide with superior photocatalytic activity under visible light

Ti{sup 3+} self-doped yolk–shell structure titanium oxide nanoparticle aggregates are fabricated through an environmental template-free route and the reduction reaction at low temperature subsequently. After the Ti{sup 3+} doping, the reduced TiO{sub 2} sample exhibits a wide visible-light absorption ranged from 400 nm to 800 nm. The intrinsic hollow core–shell microstructure can make multiple reflections of light within the chamber, and thus results in more efficient use of the light source compared with solid structure. Besides, the large surface area can render the sample with a high activity. Therefore, Ti{sup 3+} self-doped yolk–shell structure titanium oxide exhibits a superior photocatalytic activity under visible light. This strategy is simple, cheap and mass-productive, which may shed light on a new avenue for large scale production of self-doped yolk–shell structural nano functional materials for catalyst, sensors, energy storage and other new applications. - Graphical abstract: A facile generic strategy is employed to prepare Ti{sup 3+} self-doped yolk–shell structure titanium oxide nanoparticle aggregates with the superior photocatalytic activity under visible light. - Highlights: • Yolk–shell TiO{sub 2} mesospheres are synthesized by solvothermal alcoholysis. • Ti{sup 3+} self-doped yolk–shell structure titanium oxide is obtained at low temperature. • It exhibits a remarkable photocatalytic activity.

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

Synthesis of TiO{sub 2} core/RuO{sub 2} shell particles using multistep ultrasonic spray pyrolysis

Graphical abstract: - Highlights: • TiO{sub 2} core/RuO{sub 2} shell submicron-particles were prepared via a sequential spray pyrolysis. • Spherical particles have the mean particle diameters between 200 and 400 nm. • This method is promising for synthesis of core–shell and core–multishell materials. - Abstract: Spherical submicron-particles with TiO{sub 2} core–RuO{sub 2} shell structure have been synthesized by employing sequential ultrasonic spray pyrolysis. The particles have been investigated by X-ray powder diffraction, scanning electron microscopy and different transmission electron microscopy techniques. The quality of the core–shell structure of the particles has been confirmed by comparison of the experimental data with those generated on the basis of a hard sphere core–shell model. It has been found that the mixing of the Ru-containing aerosol with the TiO{sub 2} particle stream has a significant impact on the core–shell formation. The method introduced in this study can probably be applied for preparation of core–shell and core–multishell materials that are difficult to synthesize in a single step spray pyrolysis process.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Self-supported Zn/Si core-shell arrays as advanced electrodes for lithium ion batteries

Graphical abstract: Zn/Si core-shell arrays prepared by combined hydrothermal plus sputtering method show good performance with high specific capacity and excellent cycling stability. - Highlights: • Construct Zn/Si core-shell arrays via sputtering. • The Zn/Si core-shell arrays show high capacity and good cycles. • Core-shell arrays is favorable for fast ion/electron transfer. - Abstract: Silicon is considered as the most promising substitute for the commercial graphite anode of lithium ion batteries (LIBs) due to its high capacity and low working voltage. In this work, we realize the rational combination between Zn nanorods and Si forming self-supported Zn/Si core-shell arrays with the aid of hydrothermal and sputtering methods. Amorphous Si layer is well coated on the backbone of Zn nanorods with diameters of 70–80 nm. As a preliminary test, the Zn/Si core-shell arrays are used as the anode of LIBs and demonstrated with a high initial reversible capacity of 2795 mAh g{sup −1} at 0.1C, good high-rate capability with 1985 mAh g{sup −1} at 1C and stable cycling life. The good performance is due to the highly conductive Zn nanorod network and porous core-shell structure providing good mechanical support and fast transport of ions/electrons.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Synthesis and Characterization of the Lithium-Rich Core-Shell Cathodes with Low Irreversible Capacity and Mitigated Voltage Fade

Lithium-rich layered Ni–Mn–Co oxide materials have been intensely studied in the past decade. Mn-rich materials have serious voltage fade issues, and the Ni-rich materials have poor thermal stability and readily oxidize the organic carbonate electrolyte. Core–shell (CS) strategies that use Ni-rich material as the core and Mn-rich materials as the shell can balance the pros and cons of these materials in a hybrid system. The lithium-rich CS materials introduced here show much improved overall electrochemical performance compared to the core-only and shell-only samples. Energy dispersive spectroscopy results show that there was diffusion of transition metals between the core and shell phases after sintering at 900 °C compared to the prepared hydroxide precursors. A Mn-rich shell was still maintained whereas the Co which was only in the shell in the precursor was approximately homogeneous throughout the particles. The CS samples with optimal lithium content showed low irreversible capacity (IRC), as well as high capacity and excellent capacity retention. Sample CS2-3 (the third sample in the 0.67Li 1+x (Ni₀.₆₇Mn₀.₃₃) 1–x O₂·0.33Li 1+y (Ni₀.₄Mn₀.₅Co₀.₁) 1–y O₂ CS2 series) had a reversible capacity of ~218 mAh/g with 12.3% (~30 mAh/g) irreversible capacity (IRC) and 98% capacity retention after 40 cycles to 4.6 V at 30 °C at a rate of ~C/20. Differential capacity versus potential (dQ/dV versus V) analysis confirmed that cells of the CS samples had stable impedance as well as a very stable average voltage. Apparently, the Mn-rich shell can effectively protect the Ni-rich core from reactions with the electrolyte while the Ni-rich core renders a high and stable average voltage.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Dual-Emitting Dot-in-Bulk CdSe/CdS Nanocrystals with Highly Emissive Core- and Shell-Based Trions Sharing the Same Resident Electron

Colloidal CdSe nanocrystals (NCs) overcoated with an ultrathick CdS shell, also known as dot-in-bulk (DiB) structures, can support two types of excitons, one of which is core-localized and the other, shell-localized. In the case of weak “sub-single-exciton” pumping, emission alternates between the core- and shell-related channels, which leads to two-color light. This property makes these structures uniquely suited for a variety of photonic applications as well as ideal model systems for realizing complex excitonic quasi-particles that do not occur in conventional core/shell NCs. Furthermore, we show that the DiB design can enable an unusual regime in which the same long-lived resident electron can endow trionlike characteristics to either of the two excitons of the DiB NC (core- or shell-based). These two spectrally distinct trion states are apparent in the measured photoluminescence (PL) and spin dynamics of core and shell excitons conducted over a wide range of temperatures and applied magnetic fields. Low-temperature PL measurements indicate that core- and shell-based trions are characterized by a nearly ideal (~100%) emission quantum yield, suggesting the strong suppression of Auger recombination for both types of excitations. Polarization-resolved PL experiments in magnetic fields of up to 60 T reveal that the core- and the shell-localized trions exhibit remarkably similar spin dynamics, which in both cases are controlled by spin-flip processes involving a heavy hole.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Monatomic ions influence substrate permeation across bacterial microcompartment shells

Abstract Bacterial microcompartments (BMCs) are protein organelles consisting of an inner enzymatic core encased within a selectively permeable shell. BMC shells are modular, tractable architectures that can be repurposed with new interior enzymes for biomanufacturing purposes. The permeability of BMC shells is function-specific and regulated by biophysical properties of the shell subunits, especially its pores. We hypothesized that ions may interact with pore residues in a manner that influences the substrate permeation process. In vitro activity comparisons between native and broken BMCs demonstrated that increasing NaCl negatively affects permeation rates. Molecular dynamics simulations of the dominant shell protein (BMC-H) revealed that chloride ions preferentially occupy the positive pore, hindering substrate permeation, while sodium cations remain excluded. Overall, these results demonstrate that shell properties influence ion permeability and leverages the integration of experimental and computational techniques to improve our understanding of BMC shells towards their repurposing for biotechnological applications.

59 BASIC BIOLOGICAL SCIENCES↗