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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 1,171 records · Page 65
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Modal ring method for the scattering of sound

The modal element method for acoustic scattering can be simplified when the scattering body is rigid. In this simplified method, called the modal ring method, the scattering body is represented by a ring of triangular finite elements forming the outer surface. The acoustic pressure is calculated at the element nodes. The pressure in the infinite computational region surrounding the body is represented analytically by an eigenfunction expansion. The two solution forms are coupled by the continuity of pressure and velocity on the body surface. The modal ring method effectively reduces the two-dimensional scattering problem to a one-dimensional problem capable of handling very high frequency scattering. In contrast to the boundary element method or the method of moments, which perform a similar reduction in problem dimension, the model line method has the added advantage of having a highly banded solution matrix requiring considerably less computer storage. The method shows excellent agreement with analytic results for scattering from rigid circular cylinders over a wide frequency range (1 is equal to or less than ka is less than or equal to 100) in the near and far fields.

Baumeister, Kenneth J.↗
DOE OSTI2026

Effect of NO on DME-Methanol HCCI Combustion Using a Reduced Chemical Kinetics Mechanism

Methanol is an attractive fuel for the maritime sector due to its wide availability. Its direct use as a fuel, however, is accompanied by challenges such as high latent heat of vaporization and low cetane number. A potential solution to overcome the ignition properties of methanol could be through on-board generation of dimethyl ether (DME) via catalytic dehydration of methanol. The resulting mixture from dehydration can be mixed in with the intake air to generate a homogenous charge compression ignition (HCCI) preburn for subsequent direct injection (DI) mixing controlled compression ignition (MCCI) of neat methanol. Within that context, complementary experimental work found that the influence of combustion residuals on the heat release rate (HRR) was significant, specifically for residual NO. This finding motivated the present computational and kinetic evaluation of the effects of NO on the low (LTHR) and high (HTHR) temperature heat release rates. The strong influence of small quantities of NO on the combustion process of a DME/methanol/H2O mixture (low catalyst or reactor efficiency) necessitated a kinetics-based investigation into this phenomenon. A mechanism sourced from the existing literature with NO had 172 species and 1375 reactions, making it computationally expensive for use. Hence, a mechanism reduction effort was implemented, and a rate constant (k) tuning effort based on sensitivity analysis was needed to validate experimental results using a zero-dimensional engine model in Cantera. The reduced mechanism was able to successfully capture the negligible influence of NO addition on DME HCCI combustion, whereas an advancement in LTHR and HTHR for a DME/methanol/H2O mixture was kinetically confirmed. Reaction pathway analysis showed that addition of NO chemically counteracted the OH sink created by alcohols like methanol, increasing the effectiveness of DME ignition.

Tyrewala, Daanish [ORNL] (ORCID:0000000208599324)↗
DOE OSTI2017

Low-rank factorization of electron integral tensors and its application in electronic structure theory

In this letter, we introduce the reverse Cuthill-McKee (RCM) algorithm, which is often used for the bandwidth reduction of sparse tensors, to transform the two-electron integral tensors to their block diagonal forms. By further applying the pivoted Cholesky decomposition (CD) on each of the diagonal blocks, we are able to represent the high-dimensional two-electron integral tensors in terms of permutation matrices and low-rank Cholesky vectors. This representation facilitates the low-rank factorization of the high-dimensional tensor contractions that are usually encountered in post-Hartree-Fock calculations. In this letter, we discuss the second-order Møller-Plesset (MP2) method and linear coupled- cluster model with doubles (L-CCD) as two simple examples to demonstrate the efficiency of the RCM-CD technique in representing two-electron integrals in a compact form.

electronic structure theory↗
DOE OSTI2023

Structuring Nutrient Yields throughout Mississippi/Atchafalaya River Basin Using Machine Learning Approaches

To minimize the eutrophication pressure along the Gulf of Mexico or reduce the size of the hypoxic zone in the Gulf of Mexico, it is important to understand the underlying temporal and spatial variations and correlations in excess nutrient loads, which are strongly associated with the formation of hypoxia. This study’s objective was to reveal and visualize structures in high-dimensional datasets of nutrient yield distributions throughout the Mississippi/Atchafalaya River Basin (MARB). For this purpose, the annual mean nutrient concentrations were collected from thirty-three US Geological Survey (USGS) water stations scattered in the upper and lower MARB from 1996 to 2020. Eight surface water quality indicators were selected to make comparisons among water stations along the MARB over the past two decades. Principal component analysis (PCA) was used to comprehensively evaluate the nutrient yields across thirty-three USGS monitoring stations and identify the major contributing nutrient loads. The results showed that all samples could be analyzed using two main components, which accounted for 81.6% of the total variance. The PCA results showed that yields of orthophosphate (OP), silica (SI), nitrate–nitrites (NO 3 -NO 2 ), and total suspended sediment (TSS) are major contributors to nutrient yields. It also showed that land-planted crops, density of population, domestic and industrial discharges, and precipitation are fundamental causes of excess nutrient loads in MARB. These factors are of great significance for the excess nutrient load management and pollution control of the Mississippi River. It was found that the average nutrient yields were stable within the sub-MARB area, but the large nitrogen yields in the upper MARB and the large phosphorus yields in the lower MARB were of great concern. t-distributed stochastic neighbor embedding (t-SNE) revealed interesting nonlinear and local structures in nutrient yield distributions. Clustering analysis (CA) showed the detailed development of similarities in the nutrient yield distribution. Moreover, PCA, t-SNE, and CA showed consistent clustering results. This study demonstrated that the integration of dimension reduction techniques, PCA, and t-SNE with CA techniques in machine learning are effective tools for the visualization of the structures of the correlations in high-dimensional datasets of nutrient yields and provide a comprehensive understanding of the correlations in the distributions of nutrient loads across the MARB.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Koopman-Based Approach to Nonintrusive Reduced Order Modeling: Application to Aerodynamic Shape Optimization and Uncertainty Propagation

A methodology for nonintrusive projection-based nonlinear model reduction originally presented by Renganathan et al. is further extended here toward parametric systems with a focus on application to aerospace design. Specifically, the method is extended to address static systems with parametric geometry (that deforms the mesh) in addition to parametric freestream boundary conditions. The main idea is to first perform a transformation on the governing equations such that it is lifted to a higher-dimensional but linear underdetermined system. This enables one to extract the system matrices easily as compared to that of the original nonlinear system. The underdetermined system is closed with a set of model-dependent nonlinear constraints upon which the model reduction is finally performed. The methodology is validated on the subsonic and transonic inviscid flows past the NACA0012 and the RAE2822 airfoils with parametrized shapes. The utility of the approach is further demonstrated by applying it to two common problems in aerospace design, namely, derivative-free global optimization and parametric uncertainty quantification with Monte Carlo sampling. Overall, the methodology is shown to achieve accuracy up to 5% and computational speedup of two to three orders of magnitude relative to the full order model. Comparison against another nonintrusive model reduction method revealed that the proposed approach is more robust, accurate, and retains the consistency between the state variables.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Ru Single Atoms on One-Dimensional CF@g-C 3 N 4 Hierarchy as Highly Stable Catalysts for Aqueous Levulinic Acid Hydrogenation

Herein, we report a stable catalyst with Ru single atoms anchored on a one-dimensional carbon fiber@graphitic carbon nitride hierarchy, by assembling wet wipes composed of fiber-derived carbon fiber (CF), melamine-derived graphitic carbon nitride (g-C3N4) and RuCl3 before NaBH4 reduction. The atomically dispersed Ru species (3.0 wt%) are tightly attached via N-coordination provided by exterior g-C3N4 nanosheets, and further stabilized by the interior mesoporous CF. The obtained CF@g-C3N4–Ru SAs catalyst can be cycled six times without notable leaching of Ru or loss of GVL yield in the acidic media. This catalyst is more stable than Ru nanoparticles supported on CF@g-C3N4, as well as Ru single atoms anchored on CF and g-C3N4, and proves to be one of the most efficient metal catalysts for aqueous LA hydrogenation to γ-valerolactone (GVL). The isolated Ru atoms by strong N-coordination, and their enhanced electron/mass transfer afforded by the one-dimensional hierarchy, can be responsible for the excellent durability of CF@g-C3N4–Ru SAs under harsh reaction conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2012

Radiation Shielding System Using a Composite of Carbon Nanotubes Loaded with Electropolymers

Single-wall carbon nanotubes (SWCNTs) coated with a hydrogen-rich, electrically conducting polymer such as polyethylene, receive and dissipate a portion of incoming radiation pulse energy to electrical signals that are transmitted along the CNT axes, and are received at energy-dissipating terminals. In this innovation, an array of highly aligned nanowires is grown using a strong electric field or another suitable orientation procedure. Polyethylene (PE), polymethymlethacrylate (PMMA), or other electrically conducting polymer is spin-coated onto the SWCNTs with an average thickness of a few hundred nanometers to a few tenths of micrometers to form a PE/SWCNT composite. Alternatively, the polymer is spin-coated onto the nanowire array or an anodized alumina membrane (AAM) to form a PE/metal core shell structure, or PE can be electropolymerized using the SWCNTs or the metal nanowires as an electrode to form a PE/SWCNT core shell structure. The core shell structures can be extruded as anisotropic fibers. A monomer can be polymerized in the presence of SWCNTs to form highly cross-linked PE/SWCNT films. Alternatively, Pb colloid solution can be impregnated into a three-dimensional PE/SWCNT nanostructure to form a PW/SWCNT/Pb composite structure. A face-centered cubic (FCC) arrangement provides up to 12 interconnection channels connected to each core, with transverse channel dimensions up to 20 nm, with adequate mechanical compressive strength, and with an associated electrical conductivity of around 3 Seimens/cm for currents ranging from 0.01 to 10 mA. This threedimensional nanostructure is used as a host material to house appropriate radiation shielding material such as hydrogen- rich polymer/CNT structures, metal nanoparticles, and nanowires. Thicknesses of this material required to attenuate 10 percent, 50 percent, and 90 percent of an incident beam (gamma, X-ray, ultraviolet, neutron, proton, and electron) at energies in the range of 0 440 MeV are being determined, for example, by measuring fluence rate reduction. For example, a radiation field arrives first at an exposed surface of the innovation and produces an associated first electric field within the metal-like fingers of the three-dimensional nanostructure. This field is intensified near the exposed tips of the fingers, and this intensified field generates an intensified second electric field near the adjacent exposed tips of the coated CNSs. This generates an associated electrical current in the CNSs, and the associated electropolymer coating. The current is received by the second substrate transport component and is transported to the dissipation mechanism located contiguously to the second substrate.

McKay, Chris↗
DOE OSTI2016

Three-dimensional FIB/EBSD characterization of irradiated HfAl{sub 3}-Al composite

A thermal neutron-absorbing composite comprised of 28.4 vol.% HfAl{sub 3} intermetallic particles in an Al matrix, developed for use in a conduction-cooled thermal neutron filter, will enable fast flux irradiation of materials and fuels in an existing pressurized water test reactor. In this paper, an EBSD-FIB characterization approach is used to observe the microstructural changes of the HfAl{sub 3}-Al composite in response to simulated long-term neutron irradiation. Using a focused ion beam (FIB), the sample was fabricated to 25 μm x 25 μm x 20 μm and mounted on a transmission electron microscopy (TEM) grid. A series of operations were carried out repeatedly on the sample's top surface to prepare it for scanning electron microscopy (SEM). First, a ∼ 100-nm layer was removed by high voltage FIB milling. Then, several cleaning passes were performed on the newly exposed surface using low voltage FIB milling to improve the SEM image quality. The surface was then scanned by Electron Backscattering Diffraction (EBSD) to obtain a two-dimensional image. After 50 to 100 two-dimensional images were collected, the images were stacked to reconstruct a three-dimensional model using DREAM.3D software. Two such reconstructed three dimensional models were obtained from samples of the original and post-irradiation HfAl{sub 3}-Al composite, from which the most significant microstructural change caused by neutron irradiation appears to be the size reduction of both HfAl{sub 3} and Al grains. Possible causes include thermal expansion and related thermal strain from thermal neutron capture. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1987

Combined riblet and lebu drag reduction system

The invention is a system of flow control devices which result in reduced skin friction on aerodynamic and hydrodynamic surfaces. The devices cause a breakup of large-scale disturbances in the boundary layer of the flow field. The riblet device acts to reduce disturbances near the boundary layer wall by the use of longitudinal striations forming V-shaped grooves. These grooves are dimensional on the order of the wall vortices and turbulent burst dimensions. The large eddy breakup device is a small strip or airfoil which is suspended in the upper region of the boundary layer. Various physical mechanisms cause a disruption of the large-scale vortices. The combination of the devices of this invention result in a substantial reduction in skin friction drag.

Walsh, Michael J.↗
NASA NTRS1991

Particle displacement tracking applied to air flows

Electronic Particle Image Velocimeter (PIV) techniques offer many advantages over conventional photographic PIV methods such as fast turn around times and simplified data reduction. A new all electronic PIV technique was developed which can measure high speed gas velocities. The Particle Displacement Tracking (PDT) technique employs a single cw laser, small seed particles (1 micron), and a single intensified, gated CCD array frame camera to provide a simple and fast method of obtaining two-dimensional velocity vector maps with unambiguous direction determination. Use of a single CCD camera eliminates registration difficulties encountered when multiple cameras are used to obtain velocity magnitude and direction information. An 80386 PC equipped with a large memory buffer frame-grabber board provides all of the data acquisition and data reduction operations. No array processors of other numerical processing hardware are required. Full video resolution (640x480 pixel) is maintained in the acquired images, providing high resolution video frames of the recorded particle images. The time between data acquisition to display of the velocity vector map is less than 40 sec. The new electronic PDT technique is demonstrated on an air nozzle flow with velocities less than 150 m/s.

Wernet, Mark P.↗
NASA NTRS1991

Particle displacement tracking applied to air flows

Electronic Particle Image Velocimetric (PIV) techniques offer many advantages over conventional photographic PIV methods such as fast turn around times and simplified data reduction. A new all electronic PIV technique was developed which can measure high speed gas velocities. The Particle Displacement Tracking (PDT) technique employs a single CW laser, small seed particles (1 micron), and a single intensified, gated CCD array frame camera to provide a simple and fast method of obtaining two-dimensional velocity vector maps with unambiguous direction determination. Use of a single CCD camera eliminates registration difficulties encountered when multiple cameras are used to obtain velocity magnitude and direction information. An 80386 PC equipped with a large memory buffer frame-grabber board provides all of the data acquisition and data reduction operations. No array processors of other numerical processing hardware are required. Full video resolution (640 x 480 pixel) is maintained in the acquired images, providing high resolution video frames of the recorded particle images. The time between data acquisition to display of the velocity vector map is less than 40 sec. The new electronic PDT technique is demonstrated on an air nozzle flow with velocities less than 150 m/s.

Wernet, Mark P.↗
NASA NTRS1980

Reduction of unsteady wind torques on an open port airborne optical turret

Techniques for reducing the unsteady torques acting on the inner gimbal of a turret were developed. The reductions in the unsteady torques were obtained by using fixes that alter undesirable flow characteristics or change the acoustic properties of the turret cavity. These fixes were designed to be used in the subsonic and transonic flow regimes. The flow field about the turret generally three dimensional and turbulent, and shock waves formed because of the rapid acceleration of the compressible gas about the blunt turret. The situation was further complicated by the presence of the cavity flow, and the fact that the mouth of the cavity must sweep through a wide angular variation relative to the direction of the freestream. Results indicate that significant reductions of the unsteady pressures measured in the turret cavity could be obtained by the use of porous wind screens around the aperature of the cavity mouth.

Thomas, J. P., Jr.↗
DOE OSTI2019

CsPbBr 3 Perovskite Nanocrystal Grown on MXene Nanosheets for Enhanced Photoelectric Detection and Photocatalytic CO 2 Reduction

All-inorganic CsPbX 3 (X = Cl, Br or I) perovskite nanocrystals have attracted extensive interest recently due to their exceptional optoelectronic properties. In an effort to improve the charge separation and transfer following efficient exciton generation in such nanocrystals, novel functional nanocomposites were synthesized by the in situ growth of CsPbBr 3 perovskite nanocrystals on two-dimensional MXene nanosheets. Efficient excited state charge transfer occurs between CsPbBr 3 NCs and MXene nanosheets, as indicated by significant photoluminescence (PL) quenching and much shorter PL decay lifetimes compared with pure CsPbBr 3 NCs. The as-obtained CsPbBr 3 /MXene nanocomposites demonstrated increased photocurrent generation in response to visible light and X-ray illumination, attesting to the potential application of these heterostructure nanocomposites for photoelectric detection. The efficient charge transfer also renders the CsPbBr 3 /MXene nanocomposite an active photocatalyst for the reduction of CO 2 to CO and CH 4 . This work provides a guide for exploration of perovskite materials in next-generation optoelectronics, such as photoelectric detectors or photocatalyst.

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

An Oxygen Vacancy-rich Semiconductor Supported Bifunctional Catalyst for Efficient and Stable Zinc-Air Battery

The highly oxidative operating condition of rechargeable zinc-air batteries causes significant carbon-support corrosion of bifunctional oxygen electrocatalysts. In this work, we propose a new strategy for the catalyst support design focusing on OV-rich, low-bandgap semiconductor. The OVs promote the electrical conductivity of the oxide support, and at the same time offer a strong metal-support interaction (SMSI), which enables the catalysts small metal size, high catalytic activity, and high stability. The strategy is demonstrated by successfully synthesizing ultrafine Co metal decorated three-dimensionally ordered macroporous titanium oxynitride (3DOM-Co@TiO x N y ). The 3DOM-Co@TiO x N y catalyst exhibits comparable activities for oxygen reduction and evolution reactions, but much higher cycling stability than noble-metals in alkaline conditions. The zinc-air battery using this catalyst delivers an excellent stability with less than 1% energy efficiency loss over 900 charge-discharge cycles at 20 mA cm -2 . The high stability is attributed to the strong SMSI between Co and 3DOM-TiO x N y which verified by density functional theory (DFT) calculations. These results shed light on using OV-rich semiconductors as a promising support to design efficient and durable non-precious electrocatalysts.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Gel‐Derived Amorphous Bismuth–Nickel Alloy Promotes Electrocatalytic Nitrogen Fixation via Optimizing Nitrogen Adsorption and Activation

Abstract To achieve the electrochemical nitrogen reduction reaction (NRR) for efficient and sustainable NH 3 production, catalysts should exhibit high selectivity and activity with optimal adsorption energy. Herein we developed a three‐dimensional (3D) amorphous BiNi alloy toward a significantly enhanced NRR compared with its crystalline and metal counterparts. Ni alloying enables the chemisorption of nitrogen and the lower free‐energy change for the *NNH formation, and the 3D alloy electrocatalyst exhibits high catalytic activity for NH 3 production with a yield rate of 17.5 μg h −1 mg cat −1 and Faradaic efficiency of 13.8 %. The enhanced electron transfer and increased electrochemical surface area were revealed in the interconnected porous scaffold, affording it sufficiently efficient and stable activity for potential practical applications. This work offers new insights into optimizing the adsorption energy of reactants and intermediates combined with tuning the crystallinity of NRR electrocatalysts.

Fang, Zhiwei↗
DOE OSTI2018

Imatinib mesylate elicits extracellular signal-related kinase (ERK) activation and enhances the survival of γ-irradiated epithelial cells

Highlights: • Imatinib mesylate induced ERK activation within 30 min. • Imatinib mesylate reduced radiation-induced apoptosis and enhanced cell survival. • Imatinib mesylate protects epithelial-derived cells regardless of malignancy status. Imatinib mesylate, commercially known as Gleevec/Glivec, is the first targeted anticancer drug that inhibits activity of the tyrosine kinases, c-ABL, c-KIT, and PDGFR. A number of studies have shown that treatment with imatinib mesylate elicits extracellular signal-related kinase (ERK) activation, which, in turn, has been shown to confer radioresistance. Here, we investigated whether treatment with imatinib mesylate protects skin-derived epithelial cells, including normal keratinocytes, immortalized HaCaT and A431 cancer cell lines, from the effects of γ-radiation. ERK activation was detected 30 min after imatinib mesylate treatment in all three cell lines. In cells exposed to γ-irradiation in the presence of imatinib mesylate, this activation of ERK was associated with a reduction in radiation-induced apoptosis and enhanced cell survival. Similar effects of imatinib mesylate treatment were observed following γ-irradiation of a three-dimensional human skin culture system that reproduces a fully differentiated epithelium. Collectively, our findings provide the evidence of a protective effect of imatinib mesylate against the effects of γ-irradiation on epithelial-derived cells, regardless of their malignancy status.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Implicit fast sweeping method for hyperbolic systems of conservation laws

Implicit time-accurate methods are often used to integrate stiff problems where explicit schemes impose severe time step restrictions. This paper presents an efficient numerical framework based on the Fast Sweeping Method (FSM) for solving linear and nonlinear hyperbolic systems of conservation laws. The solution at each discrete location is computed by sweeping the numerical domain in several predetermined directions that follow the causality of the characteristic families. The use of a fractional step strategy eliminates the need for a solution selection criterion while one-sided stencils limit the number of sweeps to at most 2 d for d space dimensions. This work focuses on the first-order implicit upwind method since it constitutes the building block for high-order conservative schemes. For problems where the degree of stiffness evolves over time, implicit-explicit hybridization can be accomplished with the same algorithm by simply switching the stencil at each time level. As opposed to traditional implicit solvers, the sweeping method does not require a local time linearization of the fluxes thereby preserving the nonlinear stability properties of the original implicit scheme. It also avoids the large computational and memory requirements associated with solving large block-diagonal systems of equations. Here, a series of one- and two-dimensional test cases are presented for the inviscid Burgers' equation and the reactive Euler equations. The results indicate that the implicit FSM can allow a major reduction in the number of time steps even in the presence of discontinuous solution profiles.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2013

Group-invariant solutions of semilinear Schrödinger equations in multi-dimensions

Symmetry group methods are applied to obtain all explicit group-invariant radial solutions to a class of semilinear Schrödinger equations in dimensions n ≠ 1. Both focusing and defocusing cases of a power nonlinearity are considered, including the special case of the pseudo-conformal power p = 4/n relevant for critical dynamics. The methods involve, first, reduction of the Schrödinger equations to group-invariant semilinear complex 2nd order ordinary differential equations (ODEs) with respect to an optimal set of one-dimensional point symmetry groups, and second, use of inherited symmetries, hidden symmetries, and conditional symmetries to solve each ODE by quadratures. Through Noether's theorem, all conservation laws arising from these point symmetry groups are listed. Some group-invariant solutions are found to exist for values of n other than just positive integers, and in such cases an alternative two-dimensional form of the Schrödinger equations involving an extra modulation term with a parameter m = 2−n ≠ 0 is discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗