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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

A 3.55 keV line from DM →a→γ: predictions for cool-core and non-cool-core clusters

We further study a scenario in which a 3.55 keV X-ray line arises from decay of dark matter to an axion-like particle (ALP), that subsequently converts to a photon in astrophysical magnetic fields. We perform numerical simulations of Gaussian random magnetic fields with radial scaling of the magnetic field magnitude with the electron density, for both cool-core 'Perseus' and non-cool-core 'Coma' electron density profiles. Using these, we quantitatively study the resulting signal strength and morphology for cool-core and non-cool-core clusters. Our study includes the effects of fields of view that cover only the central part of the cluster, the effects of offset pointings on the radial decline of signal strength and the effects of dividing clusters into annuli. We find good agreement with current data and make predictions for future analyses and observations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

A Stable Graphitic, Nanocarbon-Encapsulated, Cobalt-Rich Core-Shell Electrocatalyst as an Oxygen Electrode in a Water Electrolyzer

The oxygen electrode plays a vital role in the successful commercialization of renewable energy technologies, such as fuel cells and water electrolyzers. In this study, the Prussian blue analogue-derived nitrogen-doped nanocarbon (NC) layer-trapped, cobalt-rich, core–shell nanostructured electrocatalysts (core–shell Co@NC) are reported. The electrode exhibits an improved oxygen evolution activity and stability compared to that of the commercial noble electrodes. The core–shell Co@NC-loaded nickel foam exhibits a lower overpotential of 330 mV than that of IrO2 on nickel foam at 10 mA cm-2 and has a durability of over 400 h. The commercial Pt/C cathode-assisted, core–shell Co@NC–anode water electrolyzer delivers 10 mA cm-2 at a cell voltage of 1.59 V, which is 70 mV lower than that of the IrO2–anode water electrolyzer. Over the long-term chronopotentiometry durability testing, the IrO2–anode water electrolyzer shows a cell voltage loss of 230 mV (14%) at 95 h, but the loss of the core–shell Co@NC–anode electrolyzer is only 60 mV (4%) even after 350 h cell-operation. The findings indicate that the Prussian blue analogue is a class of inorganic nanoporous materials that can be used to derive metal-rich, core–shell electrocatalysts with enriched active centers.

Sivanantham, Arumugam↗
DOE OSTI2015

Pre-supernova neutrino emissions from ONe cores in the progenitors of core-collapse supernovae: Are they distinguishable from those of Fe cores?

Aiming to distinguish two types of progenitors of core-collapse supernovae, i.e., one with a core composed mainly of oxygen and neon (abbreviated as ONe core) and the other with an iron core (or Fe core), we calculated the luminosities and spectra of neutrinos emitted from these cores prior to gravitational collapse, taking neutrino oscillation into account. We found that the total energies emitted as ν-bar {sub e} from the ONe core are ≲10{sup 46} erg, which is much smaller than ∼10{sup 47} erg for Fe cores. The average energy, on the other hand, is twice as large for the ONe core as those for the Fe cores. The neutrinos produced by the plasmon decays in the ONe core are more numerous than those from the electron–positron annihilation in both cores, but they have much lower average energies ≲1 MeV. Although it is difficult to detect the pre-supernova neutrinos from the ONe core even if it is located within 200 pc from Earth, we expect ∼9–43 and ∼7–61 events for Fe cores at KamLAND and Super-Kamiokande, respectively, depending on the progenitor mass and neutrino-mass hierarchy. These numbers might be increased by an order of magnitude if we envisage next-generation detectors such as JUNO. We will hence be able to distinguish the two types of progenitors by the detection or nondetection of the pre-supernova neutrinos if they are close enough (≲1 kpc).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

The study of the core–valence and core–core correlation effects on the radiative properties along the magnesium isoelectronic sequence

We investigated the effect of core–valence and core–core correlations on the energy levels and transition probabilities along the Mg isoelectronic sequence from Si{sup 2+} to U{sup 80+}. In order to attain a certain accuracy for the atomic structure we considered configurations obtained by electron promotions from the n=3 up to n=7 valence shells. Core–valence and core–core correlations are systematically included in the model by allowing single and double electron promotions from the n=2 core up to the n=6 and n=5 shells with l≤4 and l≤2, respectively. The present results contain the energy of the levels arising from the valence configurations along with oscillator strengths and radiative rates corresponding to E1, M1, E2, M2 transitions between states arising from 3l3l{sup ′} with l,l{sup ′}≤2 and 3snl{sup ′′} with n≤7 and l{sup ′′}≤4 configurations. We conclude the data accuracy trend along the magnesium isoelectronic sequence as a result of the detailed study of the correlation effects on the radiative properties. The core–valence correlations generally improve both energy and radiative rate values, while the core–core correlations mostly give better oscillator strengths but may slightly increase the energy deviations. The calculations have been performed by employing the fully relativistic model-potential Flexible Atomic Code.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

150-kW Three-Port Custom-Core Transformer Design Methodology

The design of a 150-kW high-frequency three-port transformer (TPT) for a triple active bridge (TAB) converter application is the focus of this paper. A non-tradeoff inclusive design methodology for custom-core transformers is proposed. Classic transformer design methodologies based on complex trade-offs mechanisms require significant effort to adjust the design for commercially available pre-sized cores. The proposed design is based on the development of a set of design equations that allows to select the core dimensions and the turns numbers for the windings that best accomplish the transformer specifications. Experimental evidence verifying the proposed theoretical design methodology is presented in this work.

Christian, Shamar↗
DOE OSTI2018

Hydraulic Fractures in Core From Stimulated Reservoirs: Core Fracture Description of HFTS Slant Core, Midland Basin, West Texas

The geometry and extent of the hydraulic-fracture network produced during well stimulation are generally not well known. Indirect methods such as microseismic monitoring may provide information about the network, but they are not definitive. The Hydraulic Fracture Test Site (HFTS) project was designed to recover core from a stimulated volume, thus providing direct information about hydraulic fractures. Here we present methods and some results from a fracture description of the HFTS slant well cores. Methods: The 4-inch-diameter cores were contained within an aluminum tube and were examined prior to slabbing. We developed criteria for distinguishing between hydraulic, natural, drilling-induced, and core-handling fractures by examining the orientation and surface features of all fractures, making use of a CT scan of the core. Results: More than 700 fractures total were found in 600 ft of core, including hydraulic fractures, two sets of calcite-sealed natural fractures, and drilling-induced and core-handling fractures. Hydraulic fractures were found to be most abundant in the section of core closest to the stimulated wells. Significance: Benefits from an experiment of this type are: (1) Hydraulic fractures are observed directly, allowing fracture density and spatial distribution to be quantified. (2) Twist hackles on hydraulic-fracture surfaces may provide information about the direction of fracture propagation. (3) The degree to which natural, sealed fractures have been reactivated may be assessed. (4) Proppant distribution in the fractures can be examined. (5) Details of the observed hydraulic-fracture network can be used to verify, or provide input data for, models of hydraulic-fracture growth and proppant distribution. (6) Findings can provide ground truth for indirect diagnostic techniques such as microseismic monitoring. (7) Fractures in core and image log in the same well can be compared, and findings used to help calibrate other horizontal well image logs.

Gale, Julia↗
DOE OSTI2014

Preparation of Core-Shell Coordination Molecular Assemblies via the Enrichment of Structure-Directing "Codes" of Bridging Ligands and Metathesis of Metal Units

A series of molybdenum- and copper-based MOPs were synthesized through coordination-driven process of a bridging ligand (3,3'-PDBAD, L-1) and dimetal paddlewheel clusters. Three conformers of the ligand exist with an ideal bridging angle between the two carboxylate groups of 0 degrees (H-2 zeta-L(1)), 120 degrees (H-2 beta-L-1), and of 90 degrees (H-2 beta-L-1), respectively. At ambient or lower temperature, (HL1)-L-2 and Mo-2(OAc)(4) or Cu-2(OAc)(4) were crystallized into a molecular square with ?-L-1 and Mo-2/Cu-2 units. With proper temperature elevation, not only the molecular square with ?-L-1 but also a lantern-shaped cage with a-L-1 formed simultaneously. Similar to how Watson-Crick pairs stabilize the helical structure of duplex DNA, the core-shell molecular assembly possesses favorable H-bonding interaction sites. This is dictated by the ligand conformation in the shell, coding for the formation and providing stabilization of the central lantern shaped core, which was not observed without this complementary interaction. On the basis of the crystallographic implications, a heterobimetallic cage was obtained through a postsynthetic metal ion metathesis, showing different reactivity of coordination bonds in the core and shell. As an innovative synthetic strategy, the site-selective metathesis broadens the structural diversity and properties of coordination assemblies.

Park, J↗
DOE OSTI2015

Core-core and core-valence correlation energy atomic and molecular benchmarks for Li through Ar

We have established benchmark core-core, core-valence, and valence-valence absolute coupled-cluster single double (triple) correlation energies (±0.1%) for 210 species covering the first- and second-rows of the periodic table. These species provide 194 energy differences (±0.03 mE{sub h}) including ionization potentials, electron affinities, and total atomization energies. These results can be used for calibration of less expensive methodologies for practical routine determination of core-core and core-valence correlation energies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Measurements of CO 2 ‐brine relative permeability in Berea sandstone using pressure taps and a long core

Abstract We measured CO 2 ‐brine relative permeability by performing five steady‐state primary drainage experiments in a 116 mD Berea sandstone core at 20°C and 10.34 MPa. We used a long (60.8 cm) core and four pressure taps to study and minimize end effects that can plague CO 2 ‐brine relative permeability measurements, and we obtained in situ saturation profiles using a medical X‐ray Computed Tomography (CT) scanner. We found that entrance and exit effects propagated ∼5 cm into the core, but the center sections of the core had uniform saturation. From the saturations and pressure drops, we obtained both CO 2 and brine relative permeability in the center sections. We also obtained CO 2 relative permeability at the entrance section where the brine saturation was lower and not uniform. The 15‐cm long exit section of the core had non‐uniform saturation and a measured pressure drop that was on the order of the capillary pressure and hence was unreliable for calculating relative permeability. We found that the CO 2 and brine relative permeabilities determined in five experiments were consistent with each other and followed two simple Corey‐type models that are similar to those seen in oil‐brine relative permeability measurements. We discuss why end effects are much greater in the CO 2 ‐brine system than in oil‐brine systems, and how this is a possible explanation of the low CO 2 relative permeabilities recently reported for the CO 2 ‐brine systems. © 2016 Society of Chemical Industry and John Wiley & Sons, Ltd.

Chen, Xiongyu↗
DOE OSTI2015

Modifications to WRF's dynamical core to improve the treatment of moisture for large-eddy simulations: WRF DY-CORE MOISTURE TREATMENT

Yamaguchi and Feingold (2012) note that the cloud fields in their Weather Research and Forecasting (WRF) large-eddy simulations (LESs) of marine stratocumulus exhibit a strong sensitivity to time stepping choices. In this study, we reproduce and analyze this sensitivity issue using two stratocumulus cases, one marine and one continental. Results show that (1) the sensitivity is associated with spurious motions near the moisture jump between the boundary layer and the free atmosphere, and (2) these spurious motions appear to arise from neglecting small variations in water vapor mixing ratio (qv) in the pressure gradient calculation in the acoustic sub­stepping portion of the integration procedure. We show that this issue is remedied in the WRF dynamical core by replacing the prognostic equation for the potential temperature θ with one for the moist potential temperature θm=θ(1+1.61qv), which allows consistent treatment of moisture in the calculation of pressure during the acoustic sub­steps. With this modification, the spurious motions and the sensitivity to the time stepping settings (i.e., the dynamic time step length and number of acoustic sub­steps) are eliminated in both of the example stratocumulus cases. This modification improves the applicability of WRF for LES applications, and possibly other models using similar dynamical core formulations, and also permits the use of longer time steps than in the original code.

Xiao, Heng↗
DOE OSTI2020

Mesoporous silica-encapsulated gold core–shell nanoparticles for active solvent-free benzyl alcohol oxidation

Silica-encapsulated gold core@shell nanoparticles (Au@SiO2 CSNPs) were synthesized via a bottom-up procedure and used to catalyze the selective oxidation of benzyl alcohol. The pore size, morphology, crystallinity and composition of Au@SiO2 was evaluated using non-local density functional theory, transmission electron microscopy, high-energy x-ray diffraction and inductively coupled plasma-mass spectroscopy, respectively. The nanoparticles exhibit a mesoporous shell with an average thickness of 25.5 Å which can enhance selectivity via preferential transport of the desired product (i.e., benzaldehyde) relative to larger, undesired products (i.e, benzoic acid/benzyl benzoate). GC-FID analysis revealed the addition of potassium carbonate to the solvent-free oxidation of benzyl alcohol increased conversion from 17.3 to 60.4% while decreasing selectivity from 98.7 to 75.0%. Under equivalent conditions, a bare gold nanoparticle control catalyst deposited on a silica support with a similar gold surface area took 6 times as long to reach the same conversion, achieving only 49.4% selectivity. These results suggest that the pore size distribution within the inert silica shell of Au@SiO2 CSNPs inhibits the formation of undesired products to facilitate the selective oxidation of benzaldehyde despite a basic environment, which reduces selectivity under typical conditions. The CSNPs demonstrated a much lower activation energy than the Au-SiO2 control catalyst, 37 ± 1.9 kJ/mol and 72 ± 7.1 kJ/mol, respectively. Thiele modulus analysis indicates the CSNP pore structure does not create a mass transport limitation due to the nano-scale path of diffusion through the pore structure to the active surface. The lower activation energy and mesopore distribution together suggest the Au@SiO2 catalyst demonstrates higher activity through beneficial in-pore orientation, both reducing competitive adsorption and promoting a single, lower activation energy mechanistic pathway.

benzyl alcohol oxidation, catalysis, confinement↗
DOE OSTI2020

Investigating Core Gaps and the Development of Subcomponent Validation Methods for Wind Turbine Blades: Preprint

Core gaps are a common manufacturing defect observed in wind blade composite sandwich constructions, which occur when sheets of core material are not properly butted up against each other in the mold. The aim of this study was to characterize core gaps in composite sandwich constructions at the coupon scale. This was to gain an initial understanding of the defect before developing appropriate methodologies for more complex subcomponents as part of a much broader wind blade structural validation and damage tolerance program. Long beam flexure in 4-point-bending was chosen as the most appropriate loading scenario. Beam specimens were characterized with and without 10 mm core gaps in fiberglass/balsa sandwich beams. The core gaps were characterized with two separate resin systems; a Hexion epoxy and Arkema's Elium resins system (a novel, infusible thermoplastic). Results showed that the Elium beams without the core gaps were had a 15% lower static strength than their epoxy counterparts. The introduction of the core gap to the epoxy beams reduced their static strength by 35%. The Elium beams, however, exhibited negligible strength reductions with the inclusion of the core gap. Overall, this characterization study provided pertinent information with regards to core gaps as a manufacturing defect to allow for continued development of damage tolerance and subcomponent validation methodologies with the inclusion of manufacturing defects.

17 WIND ENERGY↗
DOE OSTI2017

Electronic structure study of screw dislocation core energetics in Aluminum and core energetics informed forces in a dislocation aggregate

Here we use a real-space formulation of orbital-free DFT to study the core energetics and core structure of an isolated screw dislocation in Aluminum. Using a direct energetics based approach, we estimate the core size of a perfect screw dislocation to be ≈ 7 |b|, which is considerably larger than previous estimates of 1–3 |b| based on displacement fields. The perfect screw upon structural relaxation dissociates into two Shockley partials with partial separation distances of 8.2 Å and 6.6 Å measured from the screw and edge component differential displacement plots, respectively. Similar to a previous electronic structure study on edge dislocation, we find that the core energy of the relaxed screw dislocation is not a constant, but strongly dependent on macroscopic deformations. Next, we use the edge and screw dislocation core energetics data with physically reasonable assumptions to develop a continuum energetics model for an aggregate of dislocations that accounts for the core energy dependence on macroscopic deformations. Further, we use this energetics model in a discrete dislocation network, and from the variations of the core energy with respect to the nodal positions of the network, we obtain the nodal core force which can directly be incorporated into discrete dislocation dynamics frameworks. We analyze and classify the nodal core force into three different contributions based on their decay behavior. Two of these contributions to the core force, both arising from the core energy dependence on macroscopic deformations, are not accounted for in currently used discrete dislocation dynamics models which assume the core energy to be a constant excepting for its dependence on the dislocation line orientation. Using case studies involving simple dislocation structures, we demonstrate that the contribution to the core force from the core energy dependence on macroscopic deformations can be significant in comparison to the elastic Peach–Koehler force even up to distances of 10–15 nm between dislocation structures. Thus, these core effects, whose origins are in the electronic structure of the dislocation core, can play an important role in influencing dislocation-dislocation interactions to much larger distances than considered heretofore.

36 MATERIALS SCIENCE↗