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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Coulomb excitations for a short linear chain of metallic shells

A self-consistent-field theory is given for the electronic collective modes of a chain containing a finite number, N, of Coulomb-coupled spherical two-dimensional electron gases arranged with their centers along a straight line, for simulating electromagnetic response of a narrow-ribbon of metallic shells. The separation between nearest-neighbor shells is arbitrary and because of the quantization of the electron energy levels due to their confinement to the spherical surface, all angular momenta L of the Coulomb excitations, as well as their projections M on the quantization axis, are coupled. However, for incoming light with a given polarization, only one angular momentum quantum number is usually required. Therefore, the electromagnetic response of the narrow-ribbon of metallic shells is expected to be controlled externally by selecting different polarizations for incident light. We show that, when N = 3, the next-nearest-neighbor Coulomb coupling is larger than its value if they are located at opposite ends of a right-angle triangle forming the triad. Additionally, the frequencies of the plasma excitations are found to depend on the orientation of the line joining them with respect to the axis of quantization since the magnetic field generated from the induced oscillating electric dipole moment on one sphere can couple to the induced magnetic dipole moment on another. Although the transverse inter-shell electromagnetic coupling can be modeled by an effective dynamic medium, the longitudinal inter-shell Coulomb coupling, on the other hand, can still significantly modify the electromagnetic property of this effective medium between shells.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

EVOLUTION OF THE WATER MASER EXPANDING SHELL IN W75N VLA 2

We present Very Long Baseline Interferometry (VLBI) observations of 22 GHz H{sub 2}O masers in the high-mass star-forming region of W75N, carried out with VLBI Exploration of Radio Astrometry (VERA) for three epochs in 2007 with an angular resolution of {approx}1 mas. We detected H{sub 2}O maser emission toward the radio jet in VLA 1 and the expanding shell-like structure in VLA 2. The spatial distribution of the H{sub 2}O masers detected with VERA and measured proper motions around VLA 1 and VLA 2 are similar to those found with previous VLBI observations in epochs 1999 and 2005, with the masers in VLA 1 mainly distributed along a linear structure parallel to the radio jet and, on the other hand, forming a shell-like structure around VLA 2. We have made elliptical fits to the VLA 2 H{sub 2}O maser shell-like structure observed in the different epochs (1999, 2005, and 2007), and found that the shell is still expanding eight years after its discovery. From the difference in the size of the semi-major axes of the fitted ellipses in epochs 1999 ({approx_equal}71 {+-} 1 mas), 2005 ({approx_equal}97 {+-} 3 mas), and 2007 ({approx_equal}111 {+-} 1 mas), we estimate an average expanding velocity of {approx}5 mas yr{sup -1}, similar to the proper motions measured in the individual H{sub 2}O maser features. A kinematic age of {approx}20 yr is derived for this structure. In addition, our VERA observations indicate an increase in the ellipticity of the expanding shell around VLA 2 from epochs 1999 to 2007. In fact, the elliptical fit of the VERA data shows a ratio of the minor and major axes of {approx}0.6, in contrast with an almost circular shape for the shell detected in 1999 and 2005 (b/a {approx} 0.9). This suggests that we are probably observing the formation of a jet-driven H{sub 2}O maser structure in VLA2, evolving from a non-collimated pulsed-outflow event during the first stages of evolution of a massive young stellar object (YSO). This may support predictions made earlier by other authors on this issue, consistent with recent magnetohydrodynamical simulations. We discuss possible implications of our results in the study of the first stages of evolution of massive YSOs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Influence of chemical strains on the electrocaloric response, polarization morphology, tetragonality, and negative-capacitance effect of ferroelectric core-shell nanorods and nanowires

Using Landau-Ginzburg-Devonshire (LGD) approach, we proposed the analytical description of the influence of chemical strains on spontaneous polarization and the electrocaloric response in ferroelectric core-shell nanorods. We postulate that the nanorod core presents a defect-free single-crystalline ferroelectric material, and elastic defects are accumulated in the ultrathin shell, where they can induce tensile or compressive chemical strains. Finite-element modeling (FEM) based on the LGD approach reveals transitions of domain-structure morphology induced by chemical strains in the Ba Ti O 3 nanorods. Namely, tensile chemical strains induce and support the single-domain state in the central part of the nanorod, while the curled domain structures appear near the unscreened or partially screened ends of the rod. The vortexlike domains propagate toward the central part of the rod and fill it entirely, when the rod is covered by a shell with compressive chemical strains above some critical value. The critical value depends on the nanorod sizes, aspect ratio, and screening conditions at its ends. Both analytical theory and FEM predict that the tensile chemical strains in the shell increase the nanorod polarization, lattice tetragonality, and electrocaloric response well above the values corresponding to the bulk material. The physical reason for the increase is strong electrostriction coupling between the mismatch-type elastic strains induced in the core by chemical strains in the shell. Comparison with earlier XRD data confirmed an increase of the tetragonality ratio in tensile Ba Ti O 3 nanorods compared to the bulk material. Obtained analytical expressions, which are suitable for the description of strain-induced changes in a wide range of multiaxial ferroelectric core-shell nanorods and nanowires, can be useful for strain engineering of advanced ferroelectric nanomaterials for energy storage, harvesting, electrocaloric applications, and negative capacitance elements. Published by the American Physical Society 2024

36 MATERIALS SCIENCE↗
DOE OSTI2021

Tensor force role in β decays analyzed within the Gogny-interaction shell model

The half-life of the famous C 14 β decay is anomalously long, with different mechanisms: the tensor force, cross-shell mixing, and three-body forces, proposed to explain the cancellations that lead to a small transition matrix element. In this study, we revisit and analyze the role of the tensor force for the β decay of C 14 as well as of neighboring isotopes. We add a tensor force to the Gogny interaction, and derive an effective Hamiltonian for shell-model calculations. The calculations were carried out in a p – s d model space to investigate cross-shell effects. Furthermore, we decompose the wave functions according to the total orbital angular momentum L in order to analyze the effects of the tensor force and cross-shell mixing. The inclusion of the tensor force significantly improves the shell-model calculations of the β -decay properties of carbon isotopes. In particular, the anomalously slow β decay of C 14 can be explained by the isospin T = 0 part of the tensor force, which changes the components of N 14 with the orbital angular momentum L = 0 , 1 , and results in a dramatic suppression of the Gamow-Teller transition strength. At the same time, the description of other nearby β decays are improved. Decomposition of wave function into L components illuminates how the tensor force modifies nuclear wave functions, in particular suppression of β -decay matrix elements. Cross-shell mixing also has a visible impact on the β -decay strength. Inclusion of the tensor force does not seem to significantly change, however, binding energies of the nuclei within the phenomenological interaction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Nonempirical Interactions for the Nuclear Shell Model: An Update

The nuclear shell model has perhaps been the most signifcant conceptual and computational paradigm for the understanding of the structure of atomic nuclei. While the shell model has been used predominantly in a phenomenological context, there have been efforts stretching back more than half a century to derive shell model parameters based on a realistic interaction between nucleons. More recently, several ab initio many-body methods—in particular, many-body perturbation theory, the no-core shell model, the in-medium similarity renormalization group, and coupled-cluster theory—have developed the capability to provide effective shell model Hamiltonians. We offer an update on the status of these methods and investigate the connections between them and their potential strengths and weaknesses, with a particular focus on the in-medium similarity renormalization group approach. Three-body forces are demonstrated to be important for understanding the modifications needed in phenomenological treatments. We then review some applications of these methods to comparisons with recent experimental measurements, and conclude with some remaining challenges in ab initio shell model theory.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Recent progress in characterization of the core–shell structure of black titania

The recent observation of spectacular photocatalytic activity enhancements generated tremendous interest in the synthesis, properties, and potential applications of black titania. Most black titania are core-shell structures consisting of a perfect crystalline core surrounded by a defective surface shell. Because the properties are attributed to the defective shell it is particularly critical, but very challenging to obtain atomic structure information of the core, the shell, and the core-shell relationship on a single particle level. While the role of various synthesis approaches for producing black titania with different properties has been extensively reviewed, this review focuses on understanding the structure-functionality relationship in black titania on a single particle level. We begin by introducing the crystal and electronic band structure of different TiO 2 phases, followed by discussion of particle size effects, the origin of lattice distortions, and phase control by synthesis, and concluding with discussion of crystalline order formation and evolution creating the defective shell.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Maximum credibly yield for deuteriuim-filled double shell imaging targets meeting requirements for yield bin Category A

We are anticipating our first NIF double shell shot using an aluminum ablator and a glass inner shell filled with deuterium shown in figure 1. The expected yield is between a few 10 10 to a few 10 11 dd neutrons. The maximum credible yield is 5e+13. This memo describes why, and what would be expected with variations on the target. This memo evaluates the maximum credible yield for deuterium filled double shell capsule targets with an aluminum ablator shell and a glass inner shell in yield Category A (< 10 14 neutrons). It also pertains to fills of gas diluted with hydrogen, helium ( 3 He or 4 He), or any other fuel except tritium. This memo does not apply to lower z ablator dopants, such as beryllium, as this would increase the ablation efficiency. This evaluation is for 5.75 scale hohlraum targets of either gold or uranium with helium gas fills with density between 0 and 1.6 mg/cc. It could be extended to other hohlraum sizes and shapes with slight modifications. At present only laser pulse energies up to 1.5 MJ were considered with a single step laser pulse of arbitrary shape. Since yield decreases with laser energy for this target, the memo could be extended to higher laser energies if desired. These maximum laser parameters of pulses addressed here are near the edge of NIF’s capability, and constitute the operating envelope for experiments covered by this memo. We have not considered multiple step pulses, would probably create no advantages in performance, and are not planned for double shell capsules. The main target variables are summarized in Table 1 and explained in detail in the memo. Predicted neutron yields are based on 1D and 2D clean simulations.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2016

LYMAN-ALPHA SPECTRA FROM MULTIPHASE OUTFLOWS, AND THEIR CONNECTION TO SHELL MODELS

We perform Lyman- α (Ly α ) Monte-Carlo radiative transfer calculations on a suite of 2500 models of multiphase, outflowing media, which are characterized by 14 parameters. We focus on the Ly α spectra emerging from these media and investigate which properties are dominant in shaping the emerging Ly α profile. Multiphase models give rise to a wide variety of emerging spectra, including single-, double-, and triple-peaked spectra. We find that the dominant parameters in shaping the spectra include (i) the cloud covering factor, f {sub c} , which is in agreement with earlier studies, and (ii) the temperature and number density of residual H i in the hot ionized medium. We attempt to reproduce spectra emerging from multiphase models with “shell models” which are commonly used to fit observed Ly α spectra, and investigate the connection between shell-model parameters and the physical parameters of the clumpy media. In shell models, the neutral hydrogen content of the shell is one of the key parameters controlling Ly α radiative transfer. Because Ly α spectra emerging from multiphase media depend much less on the neutral hydrogen content of the clumps, the shell-model parameters such as H i column density (but also shell velocity and dust content) are generally not well matched to the associated physical parameters of the clumpy media.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Understanding to Hierarchical Microstructures of Crab (Chinese hairy) Shell as a Natural Architecture

This work was done to better understand the microstructures, composition and mechanical properties of Chinese hairy crab shell. For fully revealing its hierarchical microstructure, the crab shell was observed with electron microscope under different magnifications from different facets. XRD, EDS, FTIR and TGA techniques have been used to characterize the untreated and chemically-treated crab shells, which provided enough information to determine the species and relative content of components in this biomaterial. Combined the microstructures with constituents analysis, the structural principles of crab shell was detailedly realized from different structural levels beyond former reports. To explore the relationship between structure and function, the mechanical properties of shell have been measured through performing tensile tests. The contributions of organics and minerals in shell to the mechanical properties were also discussed by measuring the tensile strength of de-calcification samples treated with HCl solution.

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

Heterologous Assembly of Pleomorphic Bacterial Microcompartment Shell Architectures Spanning the Nano- to Microscale

Many bacteria use protein-based organelles known as bacterial microcompartments (BMCs) to organize and sequester sequential enzymatic reactions. Regardless of their specialized metabolic function, all BMCs are delimited by a shell made of multiple structurally redundant, yet functionally diverse, hexameric (BMC-H), pseudohexameric/trimeric (BMC-T), or pentameric (BMC-P) shell protein paralogs. When expressed without their native cargo, shell proteins have been shown to self-assemble into 2D sheets, open-ended nanotubes, and closed shells of ≈40 nm diameter that are being developed as scaffolds and nanocontainers for applications in biotechnology. Here, by leveraging a strategy for affinity-based purification, it is demonstrated that a wide range of empty synthetic shells, many differing in end-cap structures, can be derived from a glycyl radical enzyme-associated microcompartment. The range of pleomorphic shells observed, which span ≈2 orders of magnitude in size from ≈25 nm to ≈1.8 µm, reveal the remarkable plasticity of BMC-based biomaterials. In addition, new capped nanotube and nanocone morphologies are observed that are consistent with a multicomponent geometric model in which architectural principles are shared among asymmetric carbon, viral protein, and BMC-based structures.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Directing Assembly of Mesoscale Multi‐Shell Morphologies of DNA Origami Crystals

Nature builds hierarchically ordered materials, such as seashells, wood, and bones, through spatially and temporally regulated growth. Mimicking such a level of control in synthetic systems remains challenging, particularly in achieving multiscale organizations with prescribed nanoscale arrangements and desired material morphologies. In this study, we introduce a DNA-based self-assembly strategy for constructing diverse multi-shell mesoscale morphologies from nanoscale lattices, enabling prescribed structural, and compositional 3D material patterns. Using DNA origami frames as modular monomers, we direct anisotropic epitaxial growth through addressable DNA frame binding motifs and encapsulate nanoparticles (NPs) in desired 3D patterns. Sequential monomer addition under thermodynamically favorable conditions enables shell growth through heterogeneous nucleation while minimizing unwanted homogeneous nucleation. Here, we demonstrate that DNA-encoded addressability enables epitaxial shell growth along specific lattice directions, yielding crystals with multilayered mesoscale organization, including tube-like (sushi roll) and plate-like (macaron) morphologies. Shell-specific NP configurations and compositions are achieved through addressable and differentiated placement of NPs within each shell, as validated by small-angle x-ray scattering and cross-sectional scanning transmission electron microscopy. We further demonstrate addressable NP release and reveal that shells modulate release kinetics. Together, these findings establish a platform for fabricating DNA origami crystals with programmable mesoscale morphologies, nanoscale structure, composition, and transport properties.

3D patterning↗
DOE OSTI2018

One‐Step Synthesis of Hybrid Core–Shell Metal–Organic Frameworks

Abstract Epitaxial growth of MOF‐on‐MOF composite is an evolving research topic in the quest for multifunctional materials. In previously reported methods, the core–shell MOFs were synthesized via a stepwise strategy that involved growing the shell‐MOFs on top of the preformed core‐MOFs with matched lattice parameters. However, the inconvenient stepwise synthesis and the strict lattice‐matching requirement have limited the preparation of core–shell MOFs. Herein, we demonstrate that hybrid core–shell MOFs with mismatching lattices can be synthesized under the guidance of nucleation kinetic analysis. A series of MOF composites with mesoporous core and microporous shell were constructed and characterized by optical microscopy, powder X‐ray diffraction, gas sorption measurement, and scanning electron microscopy. Isoreticular expansion of microporous shells and orthogonal modification of the core was realized to produce multifunctional MOF composites, which acted as size selective catalysts for olefin epoxidation with high activity and selectivity.

Yang, Xinyu↗
DOE OSTI2018

Core-Shell Structuring of Pure Metallic Aerogels towards Highly Efficient Platinum Utilization for the Oxygen Reduction Reaction

The development of core–shell structures remains a fundamental challenge for pure metallic aerogels. Here we report the synthesis of Pd x Au-Pt core–shell aerogels composed of an ultrathin Pt shell and a composition-tunable Pd x Au alloy core. The universality of this strategy ensures the extension of core compositions to Pd transition-metal alloys. The core–shell aerogels exhibited largely improved Pt utilization efficiencies for the oxygen reduction reaction and their activities show a volcano-type relationship as a function of the lattice parameter of the core substrate. The maximum mass and specific activities are 5.25 A mg Pt -1 and 2.53 mA cm -2 , which are 18.7 and 4.1 times higher than those of Pt/C, respectively, demonstrating the superiority of the core–shell metallic aerogels. The proposed core-based activity descriptor provides a new possible strategy for the design of future core–shell electrocatalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Can fractal dimensions objectivize gastropod shell morphometrics? A case study from Lake Lugu (SW China)

1. Morphometrics are fundamental for the analysis of size and shape in fossils, particularly because soft parts or DNA are rarely preserved and hard parts such as shells are commonly the only source of information. Geometric morphometrics, that is, landmark analysis, is well established for the description of shape but it exhibits a couple of shortcomings resulting from subjective choices during landmarking (number and position of landmarks) and from difficulties in resolving shape at the level of micro-sculpture. 2. With the aid of high-resolution 3D scanning technology and analyses of fractal dimensions, we test whether such shortcomings of linear and landmark morphometrics can be overcome. As a model group, we selected a clade of modern viviparid gastropods from Lake Lugu, with shells that show a high degree of sculptural variation. Linear and landmark analyses were applied to the same shells in order to establish the fractal dimensions. 3. The genetic diversity of the gastropod clade was assessed. The genetic results suggest that the gastropod clade represents a single species. The results of all morphometric methods applied are in line with the genetic results, which is that no specific morphotype could be delimited. Apart from this overall agreement, landmark and fractal dimension analyses do not correspond to each other but represent data sets with different information. Generally, the fractal dimension values quantify the roughness of the shell surface, the resolution of the 3D scans determining the level. In our approach, we captured the micro-sculpture but not the first-order sculptural elements, which explains that fractal dimension and landmark data are not in phase. 4. We can show that analyzing fractal dimensions of gastropod shells opens a window to more detailed information that can be considered in evolutionary and ecological contexts. We propose that using low-resolution 3D scans may successfully substitute landmark analyses because it overcomes the subjective landmarking. Analyses of 3D scans with higher resolution than used in this study will provide surface roughness information at the mineralogical level. We suggest that fractal dimension analyses of a combination of differently resolved 3D models will significantly improve the quality of shell morphometrics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Characterization of core–shell nanostructure consisting Si–Au–SiO{sub 2} based on manipulation of optical properties

In this article, we investigated some physical characteristics of core–shell nanostructure in optical regime and perturbation has been also introduced as an effective method in shaping of optical properties. The proposed nanostructures are composed of the selected materials as: Silicon, Silicon Dioxide and Gold. At first, the extinction cross section spectra are calculated for multilayer core–shell nanostructures in optical range and the configuration effect of the constructed materials in a multilayer nanostructure are investigated for determination of Plasmon range. Then, the new structures of core–shell nanoparticles (gold–silicon) are presented, which have an amount of impurity particle in their shells as perturbation and also their extinction cross section spectra are calculated. The obtained results in this article give a proper approach about perturbation effect in broadening, sharpening and shifting of optical response which are decisive factors especially nano-network systems. Indeed, it has been proposed that the impurity particles in the shells can be a mechanism for tuning of optical characteristics of the presented nanoparticles in practical fields and also creation of local oscillations as plasmonic resonances in a considered optical range. Besides, redshift in extinction cross section can be also created by particle perturbation. At the end, the effective permittivity of the perturbed core-shells are extracted. The optional frequency range is selected between 300 and 900 (THz).

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

A critical verification of beam and shell models of wind turbine blades

Ever-increasing wind turbine size has challenged predictive capabilities on several fronts. Here, to address part of the blade structural modeling uncertainty, a systematic model fidelity comparison study was conducted on commonly used finite elements. pyNuMAD was utilized to create beam, shell, and solid models of a 100 m long blade undergoing large static deflections. The solid model avoided the use of layered-solid elements by resolving core and facesheet layers. An unprecedented model with 73.7 million elements revealed insights that have never been possible from prior experimental and numerical studies. As compared to the solid element model, the tip deflection from the shell and beam model was found to be about 2% and 4.3% too low, respectively. The twist from the beam model was found to be about 5.6% too high, while the twist from shell model was 24% too low, though improvement was demonstrated with mesh refinement. The beam model adhesive stresses were more accurate than the shell model. Out-of-plane stresses were of great significance near geometric and material discontinuities, and neither the shell nor beam model captured these effects well. Failure predictions from beam, shell, or layered-solid models are unlikely to be reliable at trailing edges, adhesives, ply-drops, spar-cap boundaries.

17 WIND ENERGY↗
DOE OSTI2022

Deformation and Fracture Behaviors of Cylindrical Battery Shell During Thermal Runaway

Thermal runaway is one of the catastrophic failure modes of lithium-ion cells. During thermal runaway in cylindrical cells, sidewall shell rupture has been identified as a contributing factor for thermal runaway propagation in battery packs. Herein, the deformation and fracture behaviors of the battery shell during thermal runaway are investigated based on in-situ and ex-situ characterization as well as physics-based modeling. The deformation and fracture modes of the battery shell with/without Carbon Fiber Reinforced Polymer (CFRP) sleeves are identified. In the simulation, the strain introduced by thermal expansion of the system is considered, as well as the thermal and strain rate effects on the plastic stage. The final cell shell modeling is validated by cell thermal runaway tests. Results reveal the quantitative relation between shell deformation behaviors and the pressure and temperature distribution. Both the experiment and model demonstrate the effectiveness of adding a tight-fitting CFRP sleeve around the cell in limiting the side-wall rupture of the shell. The use of CFRP tubes introduces a novel phenomenon in the context of uneven temperature distribution. Results shed light on the mechanistic analysis of a cell side-wall rupture during thermal runaway and provide essential guidance for the next-generation safe battery design.

battery casing↗
DOE OSTI2017

Synthesis of Fe{sub 3}O{sub 4}@P4VP@ZIF-8 core-shell microspheres and their application in a Knoevenagel condensation reaction

In this work, a core-shell magnetic composite Fe{sub 3}O{sub 4}@P4VP@ZIF-8 microspheres were successfully designed and synthesized. A polymerization approach on the surface of pre-made Fe{sub 3}O{sub 4} microspheres was employed for the synthesis of Fe{sub 3}O{sub 4}@P4VP. The zinc-derived Zeolite Imidazolate Framework (ZIF) shell was introduced through a layer-by-layer strategy. The obtained Fe{sub 3}O{sub 4}@P4VP@ZIF-8 core-shell structure was employed as an efficient Knoevenagel condensation catalyst for a variety of aldehydes. Furthermore, the inner P4VP layer also served as a basic additive in the condensation reaction process, while much less homogeneous basic additive was used. High catalytic reaction efficiency was achieved when the P4VP layer was utilized in combination with a Lewis acidity bearing ZIF-8 layer. The Fe{sub 3}O{sub 4}@P4VP@ZIF-8 catalyst was tested for recyclability and no drop in the catalytic activity was observed after more than five cycles. - Highlights: • A newly designed Fe{sub 3}O{sub 4}@P4VP@ZIF-8 core-shell catalyst is reported. • Layer-by-layer strategy was utilized to achieve core-shell structure at 400 nm. • The Fe{sub 3}O{sub 4}@P4VP@ZIF-8 core-shell material can be applied in an efficient Knoevenagel reaction. • Rapid catalyst recycling through external magnetic field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗