Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Shell”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Nucleon-Pair Shell Model within a Symmetry Broken Basis

The nucleon-pair shell model (NPSM) within the framework of a broken symmetry basis is studied. The results demonstrate the validity of such a scheme, which in turn leads to a significant reduction in the dimensionality of the multi-pair configuration space. Specifically, in the case of an axially-deformed basis, the results yield a satisfactory description of the low-lying spectrum, even without the need for applying the projection procedure. In the case of a triaxially-deformed basis, the result of variation after angular momentum projection suggest a potential for using the NPSM to find exact solutions in a semi-magic system.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Strain-Enhanced Metallic Intermixing in Shape-Controlled Multilayered Core–Shell Nanostructures: Toward Shaped Intermetallics

Controlling the surface composition of shaped bimetallic nanoparticles could offer precise tunability of geometric and electronic surface structure for new nanocatalysts. To achieve this goal, a platform for studying the intermixing process in a shaped nanoparticle was designed, using multilayered Pd-Ni-Pt core–shell nanocubes as precursors. Under mild conditions, the intermixing between Ni and Pt could be tuned by changing layer thickness and number, triggering intermixing while preserving nanoparticle shape. Intermixing of the two metals is monitored using transmission electron microscopy. The surface structure evolution is characterized using electrochemical methanol oxidation. DFT calculations suggest that the low-temperature mixing is enhanced by shorter diffusion lengths and strain introduced by the layered structure. The platform and insights presented are an advance toward the realization of shape-controlled multimetallic nanoparticles tailored to each potential application.

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

Hierarchical 3D Printed Porous Silicones with Porosity Derived from Printed Architecture and Silicone-Shell Microballoons

A method is reported to prepare siloxane microballoons that can be loaded into a direct ink write siloxane ink for 3D printing. The resulting structure is subjected to a solvent removal and supercritical drying process to provide a final printed siloxane having both macroscopic and microscopic porosity. Core-shell particles are generated by an emulsion template and phase separation process. Intra-strand closed-cell porosities can be achieved between 10 and 40 vol% thus facilitating additional compressive strain before lockup. Here short term compression set testing highlights the excellent shape retention properties of these elastomers, which have less than 8% relative compression set under load.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Enhanced low temperature performance of bimetallic Pd/Pt/SiO 2 (core)@Zr(shell) diesel oxidation catalysts

Here, in this study, the diesel oxidation performance of degreened (DG) and hydrothermally aged monometallic and bimetallic Pd/Pt/SiO 2 (core)@Zr(shell) catalysts with varying Pd/Pt molar ratios from 3/1–1/3 was evaluated. Pd/Pt(3/1)/SiO 2 @Zr (DG) achieved 50% and 90% conversion of CO at 166 °C (T 50 ), 169 °C (T 90 ) and total hydrocarbons (THCs) at 198 °C (T 50 ), 244 °C (T 90 ). Decreasing the Pd/Pt molar ratio led to a decrease in the T 50,90 ’s, with Pd/Pt(1/3)/SiO 2 @Zr (DG) achieving T 50,90 ’s at 153, 156 °C for CO and 171, 200 °C for THCs, respectively. Moreover, Pd/Pt(1/3)/SiO 2 @Zr showed enhanced hydrothermal stability. XRD and TEM showed that in the hydrothermally aged bimetallic catalysts, the fraction of Pd present as a Pt-Pd metallic alloy increased with Pt content. The enhanced low temperature performance of Pd/Pt(1/3)/SiO 2 @Zr compared to the other studied catalysts was attributed to Pd being primarily present in metallic form, despite being subjected to severe oxidizing conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Modeling of deformation of battery cells using thick shell element formulation

Here, we describe a new approach for modeling nonlinear deformation and stress distribution of battery cells using a new thick shell finite element formulation with a through-thickness calculation of stresses and strains that satisfy equilibrium conditions. Battery cells are transversely layered materials that contain numerous thin layers in a repeating sequence. The layers are made of materials with significantly different mechanical responses. Explicit discretization of the layers is computationally impractical except for very small domains, while homogenized material models cannot account for stress and strain variations and partition through the thickness. The new formulation allows for calculation of the transverse and interlayer stresses based on the material properties of the individual cell layers. The application to problems where the transverse stresses have strong influence is also possible.

25 ENERGY STORAGE↗
DOE OSTI2021

Isogeometric Bézier dual mortaring: The Kirchhoff–Love shell problem

Here in this paper we develop an isogeometric Bézier dual mortar method for coupling multi-patch Kirchhoff–Love shell structures. The proposed approach weakly enforces the continuity of the solution at patch interfaces through a dual mortar method and can be applied to both conforming and non-conforming discretizations. As the employed dual basis functions have local supports and satisfy the biorthogonality property, the resulting stiffness matrix is sparse. In addition, the coupling accuracy is optimal because the dual basis possesses the polynomial reproduction property. We also formulate the continuity constraints through the Rodrigues’ rotation operator which gives a unified framework for coupling patches that are intersected with G 1 continuity as well as patches that meet at a kink. Several linear and nonlinear examples demonstrated the performance and robustness of the proposed coupling techniques.

42 ENGINEERING↗
DOE OSTI2025

Surface roughness and dimensional evaluation of laser powder bed fusion additively manufactured shell and tube heat exchangers

The growing interest in additively manufactured (AM) heat exchangers drove the need to understand how this construction technique impacts heat exchanger performance. Two primary factors driven by AM that influence heat exchanger performance are surface roughness and geometry. To better understand these parameters, a range of shell and tube heat exchangers constructed using laser powder bed fusion were evaluated. Of those evaluated, the surface roughness throughout a fourteen-tube, zero-baffle heat exchanger was measured using computed tomography. Between the inner and outer tubes, the inner tube surfaces had a greater surface roughness than the outer by 8.07 μm, while the surfaces at the top of the build volume had higher surface roughness values than the bottom. Dimensionally, the inner tube diameters of this heat exchanger were 0.15% different from the design value, while the outer diameters were within a 0.84 % difference. Manual measurements across seven other heat exchangers yielded a maximum 1.15% difference between the design and measured diameters. Across the build volume for all heat exchangers studied, the tube diameters at the top were larger than at the bottom by a maximum of 1.24% difference. Inconsistent melting throughout the individual parts and the build volume, as well as particle splatter and thermal gradient variation were attributed to the surface roughness and dimensional changes seen. These results strengthen the knowledge of dimensional and surface roughness considerations when designing AM heat exchangers.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Topology and ground state control in open-shell donor-acceptor conjugated polymers

Donor-acceptor (DA) conjugated polymers (CPs) with narrow bandgaps and open-shell (diradical) character represent an emerging class of materials whose rich behavior emanates from their collective electronic properties and diminished electron pairing. However, the structural and electronic heterogeneities that define these materials complicate bandgap control at low energies and connections linking topology, exchange interactions, and (opto)electronic functionality remain nascent. To address these challenges, we demonstrate structurally rigid and strongly π-conjugated copolymers comprised of a solubilizing thiadiazoloquinoxaline acceptor and cyclopenta[2,1-b:3,4-b']dithiophene or dithieno[3,2-b:2',3'-d]thiophene donors. Atom-specific substitution modulates local aromatic character within the donor resulting in dramatic differences in structural, physicochemical, electronic, and magnetic properties of the polymers. These long-range π-mediated interactions facilitate control between low-spin aromatic and high-spin quinoidal forms. This work provides a strategy to understand the evolution of the electronic structure within DA CPs, control the ground state spin multiplicity, tune spin-spin interactions, and articulate the emergence of their novel properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Thermal Stability of Au Rhombic Dodecahedral Nanocrystals Can Be Greatly Enhanced by Coating Their Surface with an Ultrathin Shell of Pt

Rhombic dodecahedral nanocrystals have been considered particularly difficult to synthesize because they are enclosed by {110}, a low-index facet with the greatest surface energy. Recently, we demonstrated the use of seed-mediated growth for the facile and robust synthesis of Au rhombic dodecahedral nanocrystals (AuRD). While the unique shape and surface structure of AuRD are desirable for potential applications in plasmonics and catalysis, respectively, their high surface energy makes them highly susceptible to thermal degradation. Here we demonstrate that it is feasible to greatly improve the thermal stability with some sacrifice to the plasmonic properties of the original AuRD by coating their surface with an ultrathin shell made of Pt. Our in situ electron microscopy analysis indicates that the ultrathin Pt coating can increase the thermal stability from 60 up to 450 °C, a trend that is also supported by the results from a computational study.

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

Polyvinyl Alcohol Anion Exchange Resin Composite Membrane with Co@Cu Core–Shell Particles for Direct Borohydride Fuel Cell Applications

We report a polyvinyl alcohol anion exchange resin composite membrane, functionalized with Co and Cu ions, is reported for use in direct borohydride fuel cells (DBFCs). The CoCu-functionalized membrane has a 30.5% lower fuel permeability than that of a blank membrane. Meanwhile, the cell performance of the DBFC can also be improved by employing the CoCu-functionalized membrane, reaching a maximum power density of 304 mW·cm –2 at 60 °C. High-resolution fluorescence images directly demonstrate the formation of Cu/Co core–shell structure microparticles in the CoCu membrane, which not only reduces the Co content but also increases the active surface area of Co species in CoCu-functionalized membranes, resulting in the improvement of cell performance.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Fluoride-Rich, Organic–Inorganic Gradient Interphase Enabled by Sacrificial Solvation Shells for Reversible Zinc Metal Batteries

Zinc metal batteries are strongly hindered by water corrosion, as solvated zinc ions would bring the active water molecules to the electrode/electrolyte interface constantly. Herein, we report a sacrificial solvation shell to repel active water molecules from the electrode/electrolyte interface and assist in forming a fluoride-rich, organic-inorganic gradient solid electrolyte interface (SEI) layer. Additionally, the simultaneous sacrificial process of methanol and Zn(CF 3 SO 3 ) 2 results in the gradient SEI layer with an organic-rich surface (CH 2 OC- and C 5 product) and an inorganic-rich (ZnF 2 ) bottom, which combines the merits of fast ion diffusion and high flexibility. As a result, the methanol additive enables corrosion-free zinc stripping/plating on copper foils for 300 cycles with an average coulombic efficiency of 99.5%, a record high cumulative plating capacity of 10 A h/cm 2 at 40 mA/cm 2 in Zn/Zn symmetrical batteries. More importantly, at an ultralow N/P ratio of 2, the practical VO 2 //20 mu m thick Zn plate full batteries with a high areal capacity of 4.7 mAh/cm 2 stably operate for over 250 cycles, establishing their promising application for grid-scale energy storage devices. Furthermore, directly utilizing the 20 μm thick Zn for the commercial-level areal capacity (4.7 mAh/cm 2 ) full zinc battery in our work would simplify the manufacturing process and boost the development of the commercial zinc battery for stationary storage.

25 ENERGY STORAGE↗
DOE OSTI2025

Long-Range Resonant Charge Transport through Open-Shell Donor–Acceptor Macromolecules

A grand challenge in molecular electronics is the development of molecular materials that can facilitate efficient longrange charge transport. Research spanning more than two decades has been fueled by the prospects of creating a new generation of miniaturized electronic technologies based on molecules whose synthetic tunability offers tailored electronic properties and functions unattainable with conventional electronic materials. However, current design paradigms produce molecules that exhibit off-resonant transport under low bias, which limits the conductance of molecular materials to unsatisfactorily low levels several orders of magnitude below the conductance quantum 1 G 0 and often results in an exponential decay in conductance with length. Here, we demonstrate a chemically robust, air-stable, and highly tunable molecular wire platform comprised of open-shell donor−acceptor macromolecules that exhibit remarkably high conductance close to 1 G 0 over a length surpassing 20 nm under low bias, with no discernible decay with length. Single-molecule transport measurements and ab initio calculations show that the ultralong-range resonant transport arises from extended π-conjugation, a narrow bandgap, and diradical character, which synergistically enables excellent alignment of frontier molecular orbitals with the electrode Fermi energy. The implementation of this long-sought-after transport regime within molecular materials offers new opportunities for the integration of manifold properties within emerging nanoelectronic technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Superstructured NiMoO 4 @CoMoO 4 core-shell nanofibers for supercapacitors with ultrahigh areal capacitance

High areal capacitance for a practical supercapacitor electrode requires both large mass loading and high utilization efficiency of electroactive materials, which presents a great challenge. Herein, we demonstrated the unprecedented synthesis of superstructured NiMoO 4 @CoMoO 4 core-shell nanofiber arrays (NFAs) on a Mo-transition-layer-modified nickel foam (NF) current collector as a new material, achieving the synergistic combination of highly conductive CoMoO 4 and electrochemical active NiMoO 4 . Moreover, this superstructured material exhibited a large gravimetric capacitance of 1,282.2 F/g in 2 M KOH with a mass loading of 7.8 mg/cm 2 , leading to an ultrahigh areal capacitance of 10.0 F/cm 2 that is larger than any reported values of CoMoO 4 and NiMoO 4 electrodes. In conclusion, this work provides a strategic insight for rational design of electrodes with high areal capacitances for supercapacitors.

42 ENGINEERING↗
DOE OSTI2025

Cr-Be Pushered Single Shell (PSS) Capsule Development

Pushered single shell (PSS) has emerged as an alternative platform of implosion to ease the stability issue at the ablation front. The design consists of a thin inner Be layer, a 50% Cr:Be plateau region, an S-curve gradient, a low Cr (1.5%) tamper layer, and followed by a pure Be outer layer. General Atomics has developed a way to fabricate the higher-Z Cr to lower-Z Be gradients on glow discharge polymer mandrels with a designed S-shape profile for optimal implosion stability using magnetron sputtering. Microstructure analysis of the gradient coating indicated that at lower Cr concentration a short order or amorphous structure was formed. Here, these fabricated PSS capsules were subsequently built into capsule fill tube assemblies, verified to be leak tight at both ambient and cryogenic conditions, and delivered to Lawrence Livermore National Laboratory for the shots. The capsule thermal stability was demonstrated by invariable Cr profiles before and after pyrolysis. However, cracking at inner Cr layers was observed, which has been attributed to thermal stress.

Capsule↗
DOE OSTI2021

Unbound spectra of neutron-rich oxygen isotopes predicted by the Gamow shell model

The Gamow shell model has shown to efficiently describe weakly bound and unbound nuclear systems, as internucleon correlations and continuum coupling are both taken into account in this model. In the present work, we study neutron-dripline oxygen isotopes. It is hereby demonstrated that the presence of continuum coupling is important for the description of oxygen isotopes at dripline, and especially to assess the eventual bound or unbound character of 28 O. Our results suggest that the ground state of 28 O is weakly unbound and is similar to the narrow resonant 26 O ground state. Predictions of weakly bound and resonance excited states in 24–26 O are also provided. The asymptotes of the studied many-body states are analyzed via one-body densities, whereby the different radial properties of well bound, loosely bound, resonance states are clearly depicted.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Shell model analysis of the B ( E 2,2 + → 0 + ) values in the A = 70, T = 1 triplet 70 Kr, 70 Br, and 70 Se

The B(E2, 2 + → 0 + ) transition strengths of the T=1 isobaric triplet 70 Kr, 70 Br, 70 Se, recently measured at the RIKEN Radioactive Isotope Beam Factory (RIBF), are discussed in terms of state-of-the-art large scale shell model calculations using the JUN45 and JUN45 + LNPS plus Coulomb interactions. In this Letter we argue that, depending on the effective charges used, the calculations are either in line with the experimental data within statistical uncertainties, or the anomaly happens in 70 Br, rather than 70 Kr. In the latter case, we suggest that it can be due to the presence of a hitherto undetected 1 + T = 0 state below the yrast 2 + T = 1 state. Furthermore, our results do not support a shape change of 70 Kr with respect to the other members of the isobaric multiplet.

59 ≤ A ≤ 89↗
DOE OSTI2022

Systematics of E 2 strength in the s d shell with the valence-space in-medium similarity renormalization group

Recent developments in ab initio nuclear theory demonstrate promising results in medium- to heavy-mass nuclei. A particular challenge for many of the many-body methodologies, however, is an accurate treatment of the electric-quadrupole, E2, strength associated with collectivity. The valence-space in-medium similarity renormalization group (VS-IMSRG) is a particularly powerful method for accessing medium- and high-mass nuclei but has been found to underpredict E2 strengths. The purpose of this work is to evaluate the isospin dependence of this underprediction. We perform a systematic comparison of VS-IMSRG calculations with available literature. We make use of isoscalar and isovector contributions to the E2 matrix elements to assess isoscalar and isovector contributions to the missing strength. It is found that the E2 strength is consistent throughout T z =|12|, T z =|1|, T z =|32|, and T z =2 pairs within the sd shell. Furthermore, no isovector contribution to the deficiency is identified. A comparison with toy-models and coupled-cluster calculations is used to discuss potential origins of the missing strength, which arises from missing many-particle, many-hole excitations out of the model space. The absence of any significant isovector contribution to the missing E2 strength indicates that the E2 strength discrepancy, and therefore any correction, is largely independent of the isospin of the nuclei in question.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Even-even Nd isotopes in an S D -pair shell model

Nucleon pair shell model truncated to SD collective pair subspace (SDPSM) was applied to study the properties of the low-lying states of the even-even 144–156 Nd isotopes. It is found that, within the M scheme, the systems with the number N ν = 7 of neutron pairs (or the number N π = 7 of proton pairs) can be studied in the SDPSM for the first time. The results show that the properties of the low-lying states of the even-even Nd isotopes can be reproduced approximately, and the even-even 144–15 6Nd isotopes may be a good candidate for the first-order shape phase transition.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗