Search NASA⌕ Search

SEARCH · Search NASA

Results for “Shells”

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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Chloro-Modified Magnetic Fe{sub 3}O{sub 4}@MCM-41 Core–Shell Nanoparticles for L-Asparaginase Immobilization with Improved Catalytic Activity, Reusability, and Storage Stability

This paper describes a new support that permits to efficient immobilization of L-asparaginase (L-ASNase). For this purpose, Fe{sub 3}O{sub 4} magnetic nanoparticles were synthesized and coated by MCM-41. 3-chloropropyltrimethoxysilane (CPTMS) was used as a surface modifying agent for covalent immobilization of L-ASNase on the magnetic nanoparticles. The chemical structure; thermal, morphological, and magnetic properties; chemical composition; and zeta potential value of Fe{sub 3}O{sub 4}@MCM-41-Cl were characterized by Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), differential thermal analysis (DTA), differential scanning calorimetry (DSC), vibrating sample magnetometer (VSM), scanning electron microscope (SEM), energy dispersive X-ray (EDX), X-ray diffraction patterns (XRD), and zeta-potential measurement. The immobilization efficiency onto Fe{sub 3}O{sub 4}@MCM-41-Cl was detected as 63%. The reusability, storage, pH, and thermal stabilities of the immobilized L-ASNase were investigated and compared to that of soluble one. The immobilized enzyme maintained 42.2% of its original activity after 18 cycles of reuse. Furthermore, it was more stable towards pH and temperature compared with soluble enzyme. The Michaelis–Menten kinetic properties of immobilized L-ASNase showed a lower V{sub max} and a similar K{sub m} compared to soluble L-ASNase. Immobilized enzyme had around 47 and 32.5% residual activity upon storage a period of 28 days at 4 and 25 °C, respectively. In conclusion, the Fe{sub 3}O{sub 4}@MCM-41-Cl@L-ASNase core–shell nanoparticles could successfully be used in industrial and medical applications.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Roles of Cu + and Cu 0 sites in liquid-phase hydrogenation of esters on core-shell CuZn x @C catalysts

Liquid-phase hydrogenolytic reduction of esters on Cu-based catalysts is a promising approach for synthesis of alcohols. Here, in this work, core-shell CuZn x @C materials synthesized via pyrolysis of a Zn(NO 3 ) 2 -loaded metal-organic framework (MOF) were proposed, in which well-defined spacing between Cu species in the parent MOF and the homogeneous loading of a Zn salt leads to an ideal distribution and strong interaction of Cu and Zn after pyrolysis of the precursor. The as-synthesized CuZn x @C showed a much higher catalytic activity than Cu@C. This higher activity is tentatively attributed to the simultaneous presence of Cu 0 and Cu + sites at ZnO crystal domains. The resulting Cu-O-Zn sites have a high tendency to adsorb the ester in the form of a surface bound species that greatly improves the hydrogenolysis, which is the rate controlling step in the reductive pathway. A theoretical study confirms the ability of this site to bind and catalytically convert fatty acid esters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Toward scalable many-body calculations for nuclear open quantum systems using the Gamow Shell Model

Drip-line nuclei have very different properties from those of the valley of stability, as they are weakly bound and resonant. Therefore, the models devised for stable nuclei can no longer be applied therein. Hence, a new theoretical tool, the Gamow Shell Model (GSM), has been developed to study the many-body states occurring at the limits of the nuclear chart. GSM is a configuration interaction model based on the use of the so-called Berggren basis, which contains bound, resonant and scattering states, so that inter-nucleon correlations are fully taken into account and the asymptotes of extended many-body wave functions are precisely handled. However, large complex symmetric matrices must be diagonalized in this framework, therefore the use of very powerful parallel machines is needed therein. So, in order to fully take advantage of their power, a 2D partitioning scheme using hybrid MPI/OpenMP parallelization has been developed in our GSM code. The specificities of the 2D partitioning scheme in the GSM framework will be described and illustrated with numerical examples. It will then be shown that the introduction of this scheme in the GSM code greatly enhances its capabilities.

2D partitioning↗
DOE OSTI2022

Ultralow platinum loading for redox-flow battery by electrospinning the electrocatalyst and the ionomer in core-shell fibers

Hydrogen Bromine Redox Flow Batteries (HBRFB) are promising candidates for large scale energy storage, having an excellent balance of system, inexpensive and abundant electrolytes, high power density and near zero kinetic limitations. However, they suffer from corrosion of the hydrogen electrode due to bromine species crossover, which requires a high loading of precious group metal (PGM) electrocatalyst. Herein, a standard catalyst has been used in an electrospun (ES) fiber mat electrode, allowing for a significant (six-fold) reduction in platinum loading from 0.3 mg Pt /cm 2 down to 0.05 mg Pt /cm 2 . At this very low loading, the electrospun electrode attained an impressive specific power of 11.5W/mg Pt , and exhibited excellent durability, with constant power output for 140 charge/discharge cycles. Further, the excellent performance of the electrospun hydrogen electrode is attribute to its unique core-shell nanofiber structure, which improves the stability of the catalyst by preventing bromide species from reaching the catalyst surface.

25 ENERGY STORAGE↗
DOE OSTI2024

Enabling thermal energy storage in structural cementitious composites with a novel phase change material microcapsule featuring an inorganic shell and a bio-inspired silica coating

Phase change material (PCM) microcapsules offer a promising approach for integrating PCM into building materials for efficient thermal energy storage. Here, this study presents the development of a novel PCM microcapsule specifically designed for incorporation into cementitious materials. The microcapsule consists of a low-cost PCM core derived from vegetable oil by-products and a durable inorganic shell made from cenosphere, a hollow fly ash generated from coal burning power plants. A novel process is developed to apply a silica coating to these cenosphere-based PCM microcapsules (CPCM), resulting in bioinspired-silica-coated CPCM microcapsules (BCPCM). This coating process draws inspiration from marine microorganism-based silica production and utilizes low-cost sodium silicate as a precursor, enabling eco-friendly and cost-effective manufacturing at ambient temperature and mild pH conditions. The morphology, chemical stability, and thermal properties of the BCPCM along with its thermo-mechanical performance in cementitious composites were comprehensively analyzed. Experimental results demonstrate successful silica deposition on BCPCM, leading to enhanced latent heat properties of the produced BCPCM. With the silica coating, BCPCM exhibits a 50 °C delay in thermal decomposition compared to CPCM, enhancing fire resistance and preventing premature PCM leakage of the microcapsule. The bioinspired silica coating effectively restores over 10% of the strength loss for each percent increase in CPCM incorporated into the mortar. The thermal performance experiments reveal that increasing the BCPCM content reduces temperature peaks and rates of temperature increase, indicating an improved capacity for thermal energy storage. This new PCM microcapsule provides a cost-effective solution to integrate thermal energy storage to cementitious material, as evidenced that over 30% of aggregates (in volume) can be replaced by the microcapsule without a drastic loss of strength.

25 ENERGY STORAGE↗
DOE OSTI2019

Submicron Sodium Banding in Cultured Planktic Foraminifera Shells

The calcite shells, or tests, of foraminifera provide a window into Earth history because they are well preserved in marine sediments and contain useful geochemical proxies for paleoceanography. Previous observations of diurnal heterogeneity in proxies like Mg/Ca demonstrate a complex relationship between environmental conditions and test composition. The definitive causes for this diurnal banding and the potential impact for proxy interpretation in systems other than Mg/Ca have yet to be determined. Here we use time-of-flight secondary ion mass spectrometry (ToF-SIMS), a chemical and isotope mapping technique with a spatial resolution of 300 nm, to show that Na banding is a consistent feature in the tests of cultured Orbulina universa, a species of planktic foraminifer. This banding occurs in two distinct forms: (1) sharp Na bands associated with embedded organic sheets and (2) regular, thicker, but lower-amplitude Na bands that are found throughout the test. In Orbulina bilobata, a morphotype of O. universa that develops a second partial spherical chamber attached to the primary sphere, we use the first type of banding to show that a second organic sheet is used as a template to form this second chamber. Thus, sodium banding links test geochemistry with foraminiferal growth models, allowing us to explain the pattern and timing of chamber formation as well as a specific type of geochemical banding in foraminifera. Furthermore, the magnitude, timing, and coherency between Na and Mg bands can help constrain mechanistic explanations for geochemical banding in foraminifera in general.

paleoclimate, Foraminifera, biomineralization, pal↗
DOE OSTI2021

A fast reduced model for a shell-and-tube based latent heat thermal energy storage heat exchanger and its application for cost optimal design by nonlinear programming

Numerical simulation of latent heat thermal energy storage (LHTES) systems plays a fundamental role in studying the physical process and guiding the engineering design. Discretization of the PDEs describing the nonlinear solidification/melting process of phase change materials (PCMs) leads to a large-scale complex dynamics system, where the system behavior depends on a set of parameters. In a design setting, repeated model evaluations are required over the set of parameters results in significant computational burden. In this paper, an explicit analytic solution was built for the propagation of the solidification front in a cylindrical coordinate. The analytic solution approach is further employed to develop a low computational reduced model (RM) as a module for a shell-and-tube based LHTES heat exchanger. The levelized Cost of Energy (LCOE) is used as a design metric and the RM model is used to apply system-level constraints in the nonlinear programming formulation that facilitates efficient global optimal design of the PCM properties, flow conditions and tube geometries. The use of LCOE as the design metric prevents over design of the heat transfer rate and also establishes a fair ground for evaluation of different thermal storage technologies and their integrated applications with other systems. Optimal results showed that a higher effectiveness results in a higher LCOE; the velocity of the HTF and the length of the channel are highly correlated with each other; both larger PCM latent energy and conductivity result in lower LCOE.

25 ENERGY STORAGE↗
DOE OSTI2022

Application of the core shell model for strengthening polymer filament interfaces

While surface segregation has been intensively studied in thin films, relatively little has been investigated in filament geometries. In contrast to thin films, the filament surface forms a continuum, with interactions both at the free air and internal filament interface, which makes it difficult to achieve an equilibrium configuration. This asymmetry has become particularly apparent with the increasing use of additive manufacturing where entire structures are constructed via layered deposition of filamentous layers from a moving thermal nozzle. In addition, this process is highly non-equilibrated with poor thermal retention and is responsible for insufficient filament–filament interfacial fusion and internal pore formation along the printing direction. These features all contribute to poor mechanical and structural properties, which are exacerbated in semi-crystalline polymers, such as Polylactic Acid (PLA), where the melting point, T m , is much higher than the glass transition, T g . Even though system is liquid the molecules become ordered within the crystal structure and this ordering interferes with interdiffusion, which in turn prevents proper interfacial fusion. Capitalizing on the differential in surface tension, we show that addition of less than 1%, or trace amounts, of longer chain polymers, an oriented core shell structure, will be formed with a self-limiting thickness of three time the radius of gyration, R g , of the tracer chains. The lower T g of the tracers and their orientation makes them poised for interdiffusion when subsequent layers are deposited producing structures with significant improvement of the mechanical properties and internal structural integrity.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Microencapsulation of bio-based phase change materials with silica coated inorganic shell for thermal energy storage

This study investigates the use of cenospheres to encapsulate a low-cost, bio-based phase change material (PCM) derived from refined edible vegetable oil. Chemical etching was applied on the cenospheres to create holes through which melted PCM was loaded to produce a PCM microcapsule. Subsequently, a silica-based coating was applied to seal the perforations and prevent leakage of PCM from the microcapsule. Microstructural, chemical compatibility, thermal, and leakage properties of the produced silica coated PCM microcapsule (SCPCM) were assessed. No leakage was found for this new microcapsule, and higher thermal stability and conductivity were noted. Thermal decomposition of the PCM in SCPCM was delayed by about 16 degrees C attributable to the silica coating. Additionally, an enhanced compressive strength performance was achieved at 10 vol% of sand replacement with SCPCM. 20-30 vol% replacement of sand with cenosphere microcapsules seems to be the optimal range for reasonable compressive strength. The workability of the mortar incorporated with SCPCM decreased when the replacement level increased to more than 30 vol% due to the hydrophilic nature of the silica deposit. This study has demonstrated the potential of cenospheres as inorganic shell for PCMs and the potential for incorporation of SCPCM into construction materials for thermal energy storage (TES).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2018

Synthesis of nitrogen and sulfur co-doped yolk-shell porous carbon microspheres and their application for Pb(II) detection in fish serum

Highlights: • N, S-YSPCMS was obtained via simple silica templating and pyrolysis method. • N, S-YSPCMS shows spherical morphology, porous structure and high N, S contents. • N, S-YSPCMS based electrochemical sensor shows good performance in Pb(II) analysis. • N, S-YSPCMS based sensor is feasible in detection of Pb(II) in fish serum. - Abstract: Nitrogen (N) and sulfur (S) co-doped carbonaceous material has shown remarkably improved performance in electrocatalysis, supercapacitor, and so on. While, the application of N, S co-doped carbon in electrochemical sensor was less investigated. Herein, N, S co-doped yolk-shell porous carbon microspheres (N, S-YSPCMSs) were synthesized by silica templating strategy and high-temperature pyrolysis method. The as-prepared N, S-YSPCMSs exhibited spherical morphologies, porous structures and high N, S-doping contents. Owing to the synergetic effect of the well-dispersed N, S-dopants, good conductivity of carbon skeleton, high surface area and pore volume of the microspheres, the N, S-YSPCMSs prepared at 900 °C showed good electrochemical performance for Pb(II) and with a linear range of 4–160 μg L{sup −1}, the limit of detection is 0.49 μg L{sup −1} (S/N = 3). The electrochemical sensor was consequently applied in detecting Pb(II) in fish serum samples with satisfying recoveries, indicating the N, S-YSPCMSs-900 are promising electrode components for electroanalysis.

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

The core-shell-structured NaYF4:Er3+,Yb3+@NaYF4:Eu3+ nanocrystals as dual-mode and multifunctional luminescent mechanism for high-performance dye-sensitized solar cells

Highlights: • NaYF{sub 4}:Er{sup 3+},Yb{sup 3+}@NaYF{sub 4}:Eu{sup 3+} nanocrystals have been successfully prepared. • Higher quality NYFEY@NYFE with dual-mode emission was demonstrated. • The conversion efficiency of the DSSCs with NYFEY@NYFE reaches 7.37%. • Up-conversion luminescence was completed by Er{sup 3+} ions from infrared to visible light. • Down-conversion luminescence was fulfilled by Eu{sup 3+} ions from ultraviolet to visible light. - Abstract: The core-shell-structured NaYF{sub 4}:Er{sup 3+},Yb{sup 3+}@NaYF{sub 4}:Eu{sup 3+} (NYFEY@NYFE) nanocrystals with dual-mode emission have been satisfactorily prepared through a solvothermal method utilizing oleic acid and octadecene. From the emission spectra of dual-mode luminescent nanocrystals, it could be seen that nanocrystals consisted of two disparate units, one supplying up-converting luminescence excited with the 980 nm laser and the other providing down-converting luminescence by means of ultraviolet excitation, which are assigned to {sup 4}S{sub (3/2)} → {sup 4}I{sub (15/2)} transitions of Er{sup 3+} and {sup 5}D{sub 0} → {sup 7}F{sub 2} transitions of Eu{sup 3+}, separately. And then, a novel photoelectrode structure via introducing dual-mode luminescent materials was proposed. The photoelectric conversion efficiency of DSSCs with NYFEY@NYFE photoelectrode attains 7.37%, raised by a factor of 1.37 in comparison to that of the DSSCs without Eu{sup 3+} and Er{sup 3+} doping. The preparation of dual-mode NYFEY@NYFE not only has great significance to the study of material itself but its application in DSSCs, and can be also applied to other types of solar cells.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Predicting thermophysical properties of molten salts in the MgCl 2 -NaCl-KCl-LiCl system with a shell-model potential

Ternary eutectic salts composed of MgCl 2 , NaCl, and KCl, referred to as MNK salts, have recently emerged as promising candidates as high-temperature heat transfer fluids and thermal energy storage media. Here we performed classical molecular dynamics (MD) simulations to predict the densities, specific heat capacities, viscosities, and ionic self-diffusivities for MNK salts over a wide temperature range. The impact of LiCl additive on their thermophysical properties was also investigated. To capture the electronic polarization of Cl anions by neighboring cations, we developed a novel shell-model potential using the force-matching method and a dataset of ab initio calculated interatomic forces. Our extensive MD simulations predict structure and properties for pure salts and binary/ternary salt mixtures in the MgCl 2 -NaCl-KCl-LiCl system in overall good agreement with available experimental and theoretical data, which corroborates the accuracy and reliability of our developed potential.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Engineered nanomedicine for neuroregeneration: light emitting diode-mediated superparamagnetic iron oxide-gold core-shell nanoparticles functionalized by nerve growth factor

This article reports nerve growth factor functionalized superparamagnetic iron oxide–gold core-shell nanoparticles (NGF-SPIO-Au NPs), an engineered nanomedicine for non-invasive neuron regeneration when irradiated by a low-intensity light-emitting diode (LED). NGF-SPIO-Au NPs of 20 μg/ml, were tested on PC-12 neuron-like cells, irradiated by LEDs (525 nm, 1.09, 1.44, and 1.90 mW/cm2). A remarkable Ca 2+ influx was detected in differentiated PC-12 cells treated with NPs, irradiated by LED of 1.90 and 1.44 mW/cm 2 with great cell viability (>84%) and proliferations. The strong heat generated through their plasmonic surface upon LED irradiation on NGF-SPIO-Au NPs was observed. For cells treated with LED (1.90 mW/cm 2 ) and NGF-SPIO-Au NPs, a dramatic enhancement of neuronal differentiation (83%) and neurite outgrowth (51%) was found, and the upregulation of both the neural differentiation specific marker (β3-tubulin) and the cell adhesive molecule (integrin β1) was observed by the reverse transcription-polymerase chain reaction and western blot analysis.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Improved high-precision mass measurements of mid-shell neon isotopes

New mass values measured with the TITAN MR-TOF-MS are reported for the short-lived isotopes 24-26 Ne, produced at TRIUMF's ISAC facility using a uranium carbide target and cold FEBIAD ion source. A least-squares adjustment within the framework of the Atomic Mass Evaluation was performed and the improved precision of the new mass values is highlighted. The improved mass accuracy in this N = 14mid-shell region can also point to the refinement in values of the charge radii. By reducing the mass uncertainty of isotopes, their contribution of the mass shift uncertainty in laser spectroscopy can be negated. The work is part of developments for reaching the N = 20 Island of Inversion, where high molecular contamination hinders mass measurements of the neon isotopes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Tailorable thermoplastic insulation foam composites enabled by porous-shell hollow glass spheres and expandable thermoplastic microspheres

Here we report a simple and commercially viable strategy to produce thermoplastic composite foams using synergistic foaming approaches – incorporating porous-shell hollow-interior glass spheres (PHGS) as a filler and utilizing expandable thermoplastic microspheres (EMS) as a physical blowing agent – for thermal insulation applications. The EMS in these composites ensure formation of highly porous, low-density foam while the PHGSs provide low thermal conductivity and lightweight mechanical reinforcement. Through systematic optimization of the PHGS and EMS loadings, a lightweight, and robust insulation with thermal resistivity greater than 27.7 m·K/W (R/in. > 4) is achieved. Notably, the fabricated foams also demonstrated comparable compressive strength than some commercial thermoplastic insulating materials. Through optimization of PHGS and EMS concentrations, results indicated similar thermal performance characteristics at varying foam densities, while higher loadings of both components lead to reduced insulation performance and weak mechanical stability of the foams. The results obtained, when coupled with the potential scalability and tailor ability of the overall process towards targeted insulation performance, not only endows competitiveness with current commercial thermoplastic insulating materials but also offers great promise for the development of unique thermoplastic composite foams for a variety of insulation systems.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Fracture toughness evaluation for thin-shell stainless steel weldment

Integrity of spent nuclear fuel (SNF) interim storage canisters are very important to the safety of the back-end nuclear fuel cycle. Stress corrosion cracking (SCC) potential of interim storage canister has been considered as a high priority. Because no post-weld heat treatment was required for forming these canisters, the high tensile residual stress existed within these canister welds. This can change the fracture resistance capacity significantly as well as increase SCC potential. Due to relative thin shell thickness of a canister weldment, the spiral notch torsion test (SNTT) method of small specimen approach was used to estimate the canister weldment fracture toughness. Most SNTT weldment samples fracture initiation sites are at heat-affected zone (HAZ) regions. The estimated fracture toughness $J_Q'$ for the baseline SS304 steel is at 283 kJ/m 2 . The estimated $J_Q'$ for the SS304/308 weld from HAZ and weld specimens are 126 kJ/m 2 and 148.9 kJ/m 2 , respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Stability, Composition, and Core-Shell Particle Structure of Uranium(IV)-Silicate Colloids

Uranium is typically the most abundant radionuclide by mass in radioactive wastes and is a significant component of effluent streams at nuclear facilities. Actinide(IV) (An(IV)) colloids formed via various pathways, including corrosion of spent nuclear fuel, have the potential to greatly enhance the mobility of poorly soluble An(IV) forms, including uranium. This is particularly important in conditions relevant to decommissioning of nuclear facilities and the geological disposal of radioactive waste. Previous studies have suggested that silicate could stabilize U(IV) colloids. Here the formation, composition, and structure of U(IV)-silicate colloids under the alkaline conditions relevant to spent nuclear fuel storage and disposal were investigated using a range of state of the art techniques. The colloids are formed across a range of pH conditions (9-10.5) and silicate concentrations (2-4 mM) and have a primary particle size 1-10 nm, also forming suspended aggregates <220 nm. X-ray absorption spectroscopy, ultrafiltration, and scanning transmission electron microscopy confirm the particles are U(IV)-silicates. Additional evidence from X-ray diffraction and pair distribution function data suggests the primary particles are composed of a UO2-rich core and a U-silicate shell. U(IV)-silicate colloids formation correlates with the formation of U(OH)3(H3SiO4)3 2- complexes in solution indicating they are likely particle precursors. Finally, these colloids form under a range of conditions relevant to nuclear fuel storage and geological disposal of radioactive waste and represent a potential pathway for U mobility in these systems.

Neill, Thomas↗
DOE OSTI2020

Microsecond Molecular Dynamics Simulations of Proteins Using a Quasi-Equilibrium Solvation Shell Model

In this work, we describe the development and implementation of a quasi-equilibrium hydration shell model of biomolecular solvation with adaptive boundaries. Applying the model to microsecond-long molecular dynamics simulations of several protein systems of varying complexity, we find that the model simulation results are of comparable quality to those obtained from simulations of fully solvated systems, but at a reduced computational cost. We discuss the dominant sources of error in the model and outline directions for future improvements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗