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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Patterned growth of crystalline Y 3 Fe 5 O 12 nanostructures with engineered magnetic shape anisotropy

We demonstrate patterned growth of epitaxial yttrium iron garnet (YIG) thin films using lithographically defined templates on gadolinium gallium garnet substrates. The fabricated YIG nanostructures yield the desired crystallographic orientation, excellent surface morphology, and narrow ferromagnetic resonance (FMR) linewidth (~4 Oe). Shape-induced magnetic anisotropy is clearly observed in a patterned array of nanobars engineered to exhibit the larger coercivity (40 Oe) compared with that of continuous films. Both hysteresis loop and angle-dependent FMR spectra measurements indicate that the easy axis aligns along the longitudinal direction of the nanobars, with an effective anisotropy field of 195 Oe. Our work overcomes difficulties in patterning YIG thin films and provides an effective means to control their magnetic properties and magnetic bias conditions.

42 ENGINEERING↗
DOE OSTI2019

Improving the Performance of Multipurpose Machine Tools

Attention focuses on means of improving the efficiency and capabilities of multipurpose machine tools by expanding the range of available tools and the methods of surface machining. As an example, new approaches are applied to the manufacture of complex parts by means of a multipurpose machine tool. The machining efficiency is improved.

42 ENGINEERING↗
DOE OSTI2022

Analytical modeling and simulation of electrical contact resistance for elastic rough electrode surface contact including frictional temperature rise

An improved electrical contact resistance (ECR) model for elastic rough electrode contact is proposed, incorporating the effects of asperity interactions and temperature rise by frictional and joule heating. The analytical simulation results show that the ECR decreases steeply at the beginning of the contact between Al and Cu. However, it becomes stabilized after reaching a specific contact force. It is also found that the longer elapsed sliding contact time, the higher ECR due to the increase in electrical resistivity of electrode materials by the frictional temperature rise at the interface. The effects of surface roughness parameters on ECR are studied through the 3 2 full-factorial design-of-experiment analysis. Based on the two representative roughness parameters, i.e., root-mean-square (rms) roughness and asperity radius, their individual and coupled effects on the saturated ECR are examined. The saturated ECR increases with the rms roughness for a rough machined surface condition, but it is hardly affected by the asperity radius. On the other hand, the saturated ECR increases with both the rms roughness and the asperity radius under a smooth thin film surface condition.

42 ENGINEERING↗
DOE OSTI2022

Orbital engineering of C 3 N monolayer to design efficient synergistic sites electrocatalyst for boosting alkaline hydrogen evolution

Alkaline water electrolyzer (AWE) is one of the promising technologies for hydrogen production at the industrial level. However, energetic inefficiency and low current density impede the development of AWE. Compared with acidic conditions, the Volmer step in alkaline hydrogen evolution reaction (HER) involves extra water dissociation, whose barrier is one of the most vital reasons for the sluggish kinetics of alkaline HER. Herein, choosing C 3 N monolayer as an ideal theoretical model, we design several empty orbitals through intentional metal doping, and further construct synergistic sites on the C 3 N monolayer to accelerate both water dissociation and hydrogen adsorption for alkaline HER. Furthermore, the as-designed Be-doped and Cr-doped C 3 N monolayers exhibit rather low theoretical overpotential of 0.476 eV and 0.216 eV for alkaline HER, respectively, which are even lower than Pt (1 1 1) surface. Moreover, by comparing the water dissociation behaviors on metal-doped C3N monolayer, we find that the empty orbitals with suitable orientation and energy level are useful for promoting the water dissociation process, indicating that we can use orbital engineering strategy to regulate the adsorption strength between adsorbate and surface site. Consequently, it is reasonable to suggest that our orbital engineering strategy would significantly benefit the design of highly efficient alkaline HER electrocatalysts.

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

A direct numerical simulation study of the dilution tolerance of propane combustion under spark-ignition engine conditions

Modern spark ignition internal combustion (IC) engines rely on highly diluted fuel-air mixtures to achieve high brake thermal efficiencies. To support this, new engine designs have introduced high stroke-to-bore ratios and cylinder head designs that promote high tumble flow and turbulence intensities. However, mixture dilution through exhaust gas recirculation (EGR) is limited by combustion instabilities manifested in the form of cycle-to-cycle variability. Propane has been observed to have superior EGR dilution tolerance than gasoline, which makes it a very competitive low-carbon fuel for the new IC engines without sacrificing efficiency. Two-dimensional direct numerical simulations (DNS) are performed with detailed chemistry to study and contrast the effect of turbulence intensity and dilution on propane and iso-octane premixed flames at high pressure conditions similar to those in-cylinder. A new reduced mechanism for propane consisting of 53 transported species and 17 quasi-steady state species is developed based on a previously published mechanism and used in these simulations. Three levels of turbulence intensity and two levels of exhaust gas dilution are chosen based on conditions relevant to IC engine operation. The DNS results are analyzed based on the evolution of the flame surface area and the statistics of its driving terms, which are found to be similar for both fuels when there is no dilution but considerably different under high dilution. The analysis of the DNS data provides fundamental insights into the underlying mechanisms for improved stability under dilution.

42 ENGINEERING↗
DOE OSTI2025

Engineering anisotropic electrodynamics at the graphene/CrSBr interface

Abstract Graphene is a privileged 2D platform for hosting confined light-matter excitations known as surface plasmon polaritons (SPPs), as it possesses low intrinsic losses and a high degree of optical confinement. However, the isotropic nature of graphene limits its ability to guide and focus SPPs, making it less suitable than anisotropic elliptical and hyperbolic materials for polaritonic lensing and canalization. Here, we present graphene/CrSBr as an engineered 2D interface that hosts highly anisotropic SPP propagation across mid-infrared and terahertz energies. Using scanning tunneling microscopy, scattering-type scanning near-field optical microscopy, and first-principles calculations, we demonstrate mutual doping in excess of 10 13 cm –2 holes/electrons between the interfacial layers of graphene/CrSBr. SPPs in graphene activated by charge transfer interact with charge-induced electronic anisotropy in the interfacial doped CrSBr, leading to preferential SPP propagation along the quasi-1D chains that compose each CrSBr layer. This multifaceted proximity effect both creates SPPs and endows them with anisotropic propagation lengths that differ by an order-of-magnitude between the in-plane crystallographic axes of CrSBr.

Science & Technology - Other Topics↗
DOE OSTI2022

Leaf temperature raw data, 2015 - 2017, at Manaus, Brazil

This data package contains raw leaf surface temperature data from the NGEE Tropics K34 tower site on a plateau near Manaus, Brazil, including automated and manually collected time series data on leaf surface temperature (thermocouples, IR radiometer, thermocamera). Leaf surface temperature (LST) was determined throughout diurnal periods using individual type T thermocouples (Omega Engineering) on 8 individual leaves of a single tree. Mature leaves at the same height and general area near the tower were selected. LST measurements were taken every 15 s and recorded on a field portable self-powered data logger (OM-CP-OCTTEMP-A, Omega Engineering). Measurements were stopped in the case of a storm or rain which can remove the attached thermocouple wires from the leaf due to large wind-driven branch movements. Included in the attached zip file are six folders: three with LST data in Excel and CSV file formats from both the K34 and B34 towers, one folder with data logger configuration programs that were used for data collection, a fifth folder with PDF files of manuals for instruments used and a final folder with two Excel metadata files. See dataset references for associated metadata package. This dataset replaces the leaf surface temperature data of two retired packages, http://dx.doi.org/10.15486/ngt/1507764 and http://dx.doi.org/10.15486/ngt/1507767

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Low-index surface energies, cleavage energies, and surface relaxations for crystalline NiAl from first-principles calculations

NiAl surfaces frequently serve as a platform for studying a broad range of physical and chemical phenomena including chemisorption, catalysis, oxidation, alloy growth, and surface nanostructure formation. Knowledge of precise values for low-index surface energies of NiAl, the most fundamental quantities characterizing surface thermodynamics, is often invaluable for understanding of these phenomena. In all previous analyses for NiAl(100) and NiAl(111), Ni- and Al-terminations are not distinguished, and half of the cleavage energy (or equivalently, the average of the surface energies of two differently terminated surfaces) is always identified as the “surface energy”. No values are available for individual surface energies of Ni- or Al-terminated NiAl(100) or NiAl(111) surfaces, whereas knowledge of only cleavage energy is often insufficient for analyzing surface-associated behavior. As such, in this work we perform extensive first-principles density-functional-theory (DFT) calculations for surface energies and cleavage energies of NiAl(110), NiAl(100) and NiAl(111) by considering the chemical-potential-based formulations to clarify the ambiguity in their surface energies and cleavage energies. We obtain a surface-energy phase diagram for these three low-index surfaces versus the relevant chemical potential, as well as the chemical-potential-dependent Wulff plots for NiAl crystal equilibrium shapes. We also provide the surface-relaxation information from our DFT calculations for comparison with previous experimental data.

42 ENGINEERING↗
DOE OSTI2022

Engineering magnetic topological insulators in Eu 5 M 2 X 6 Zintl compounds

Magnetic topological insulators provide a prominent material platform for quantum anomalous Hall physics and axion electrodynamics. However, the lack of material realizations with cleanly gapped surfaces hinders technological utilization of these exotic quantum phenomena. Here, using the Zintl concept and the properties of nonsymmorphic space groups, we computationally engineer magnetic topological insulators. Specifically, we explore Eu 5 M 2 X 6 (M=metal, X=pnictide) Zintl compounds and find that Eu 5 Ga 2 Sb 6 , Eu 5 Tl 2 Sb 6 , and Eu 5 In 2 Bi 6 form stable structures with nontrivial Z 2 indices. We also show that epitaxial and uniaxial strain can be used to control the Z 2 index and the bulk energy gap. Lastly, we discuss experimental progress towards the synthesis of the proposed candidates and provide insights that can be used in the search for robust magnetic topological insulators in Zintl compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Lithium‐Containing Hybrid SEI Layer Enabling High Mass Loading and Anode‐Less Sodium Metal Batteries

Abstract The continuous rupturing and rebuilding of unstable solid electrolyte interphase (SEI) layer during cycling would block Na + diffusion and induce Na dendrite formation, ultimately limiting the practical application of high‐energy‐density sodium metal batteries. Herein, a hybrid SEI layer containing Li‐species is dexterously constructed on the surface of sodium metal anode. Li‐containing inorganic components (Li 3 N, LiF, and Li 2 CO 3 ) are introduced to stabilize the Na/electrolyte interface and enhance the mechanical and diffusion kinetic properties of the SEI layer, which can reduce the side reactions and gas generation, regulate Na + flux during cycling and promote rapid Na + migration for uniform dendrite‐free Na deposition. As a result, the constructed Na symmetric cells achieve low overpotential and long cycle life of 5900, 1800, and 500 h at current densities of 3, 10, and 30 mA cm −2 , respectively. Furthermore, the full cells paired with the Na₃V₂(PO₄)₃ cathode demonstrate high specific capacity and excellent cycle stability, even at an ultra‐high cathode loading of 39.3 mg cm −2 and a low N/P ratio (negative/positive electrode capacity ratio of 1.21).

Xia, Li [State Key Laboratory of Physical Chemistr↗
DOE OSTI2018

Impact of coolant temperature on piston wall-wetting and smoke generation in a stratified-charge DISI engine operated on E30 fuel

A late-injection strategy is typically adopted in stratified-charge direct injection spark ignition (DISI) engines to improve combustion stability for lean operation, but this may induce wall wetting on the piston surface and result in high soot emissions. E30 fuel, i.e., gasoline with 30% ethanol, is a potential alternative fuel that can offer a high Research Octane Number. However, the relatively high ethanol content increases the heat of vaporization, potentially exacerbating wall-wetting issues in DISI engines. In this study, the Refractive Index Matching (RIM) technique is used to measure fuel wall films in the piston bowl. The RIM implementation uses a novel LED illumination, integrated in the piston assembly and providing side illumination of the piston-bowl window. This RIM diagnostics in combination with high-speed imaging was used to investigate the impact of coolant temperature on the characteristics of wall wetting and combustion in an optical DISI engine fueled with E30. The experiments reveal that the smoke emissions increase drastically from 0.068 FSN to 1.14 FSN when the coolant temperature is reduced from 90 °C to 45 °C. Consistent with this finding, natural flame luminosity imaging reveals elevated soot incandescence with a reduction of the coolant temperature, indicative of pool fires. Further, the RIM diagnostics show that a lower coolant temperature also leads to increased fuel film thickness, area, and volume, explaining the onset of pool fires and smoke.

42 ENGINEERING↗
DOE OSTI2019

Radiological Soil Sorting Pilot Study Results - Middlesex Municipal Landfill - 19394

The U.S. Army Corps of Engineers (USACE) conducted a pilot scale study of radiological sorting technology at the Formerly Utilized Sites Remedial Action Program (FUSRAP) Middlesex Municipal Landfill (MML) site in Middlesex, New Jersey. Residual uranium ore pieces or 'nuggets' and associated soil contamination are present at the MML site as a result of the nation's early atomic energy program. Study questions and objectives of the MML Pilot Study project were to 1) evaluate the accuracy with which contaminated soils can be separated from uncontaminated soils using a radiologic soil sorting system, 2) determine the optimal full-scale operational process throughput rate that might reasonably be achieved, 3) determine the waste volume reduction that might be expected when operating at full scale, and 4) help establish the feasibility of implementing soil sorting as a potential remedy to other areas of the site. To accomplish the objectives soils were processed through the sorting system in a series of 30 different sorting experimental (test) runs utilizing approximately 917 cubic meters [1200 cubic yards (CY)] of material. The test runs included varying parameters such as belt speeds, soil layer thicknesses, and alarm criteria, all in varying combinations. Test runs also included engineered tests to evaluate point source segregation issues. This paper presents the challenges, results, lessons learned, and recommendations of the radiological soil sorting pilot study. The technical aspects and evaluation of the results of the test runs will also be discussed. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Floating air riding seal for a turbine

A floating air riding seal for a gas turbine engine with a rotor and a stator, an annular piston chamber with an axial moveable annular piston assembly within the annular piston chamber formed in the stator, an annular cavity formed on the annular piston assembly that faces a seal surface on the rotor, where the axial moveable annular piston includes an inlet scoop on a side opposite to the annular cavity that scoops up the swirling cooling air and directs the cooling air to the annular cavity to form an air cushion with the seal surface of the rotor.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2019

Behavior of Titanium Alloys in Aerodynamic Heating of Hypersonic Airplanes

The requirements on the use of titanium alloys used as thermal protection in hypersonic airplanes are considered. The ignition of titanium alloys in aerodynamic heating is analyzed. A mathematical model is proposed for the surface oxidation of the alloys in a high-temperature air flux.

42 ENGINEERING↗
DOE OSTI2020

Electronic structure and oxophilicity optimization of mono-layer Pt for efficient electrocatalysis

The slow kinetics of the anodic hydrogen oxidation reaction (HOR) in alkaline medium is one of the limitations for anion exchange membrane fuel cells (AEMFCs). Hence, accurately regulate and understand catalytic interface structure are essential to solve this bottleneck and reveal the structure-activity relationship. In this work, a novel trimetal core-shell model with mono-layer Pt-shell is employed for hydrogen electrooxidation to avoid thermodynamic driven bulk/surface composition deviation. On account of the atomic radius discrepancies of 3d-transition metals M (M = Fe, Co and Cu), the electronic structure of mono-layer Pt is regulated by the strain-engineered Pd-M core and the electrocatalytic activity for HOR is tuned accordingly. Nevertheless, step-by-step electrochemical monitoring and surface-treatment experiments indicate that the oxophilicity optimization by low-valence M(OH) x species, rather than the hydrogen binding energy (HBE) optimization caused by strain engineering, influence the activity obviously. It is mainly derived from the enhanced adsorption of OH ad and accelerated desorption of the H ad . The trimetal core-shell model breathes new life into the low-Pt catalyst design for hydrogen electrooxidation reaction.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Influence of Diffusional Surface Alloying on the Hardened-Layer Thickness for Gray-Iron Machine Parts

In diffusional surface alloying, gray-iron components of vehicles and machines are heated in contact with oxides of the alloying elements (chromium, titanium, vanadium, and molybdenum). The influence of the sample temperature and holding time in diffusional surface alloying on the thickness of the hardened layer is investigated, on the basis of experiment planning. The models obtained may be used to ensure specified thickness of the hardened layer in diffusional surface alloying, with maximum productivity in both production and repair processes.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Control of single-ligand chemistry on thiolated Au 25 nanoclusters

Diverse methods have been developed to tailor the number of metal atoms in metal nanoclusters, but control of surface ligand number at a given cluster size is rare. Here we demonstrate that reversible addition and elimination of a single surface thiolate ligand (-SR) on gold nanoclusters can be realized, opening the door to precision ligand engineering on atomically precise nanoclusters. We find that oxidative etching of [Au 25 SR 18 ] – nanoclusters adds an excess thiolate ligand and generates a new species, [Au 25 SR 19 ] 0 . The addition reaction can be reversed by CO reduction of [Au 25 SR 19 ] 0 , leading back to [Au 25 SR 18 ] – and eliminating precisely one surface ligand. Intriguingly, we show that the ligand shell of Au 25 nanoclusters becomes more fragile and rigid after ligand addition. This reversible addition/elimination reaction of a single surface ligand on gold nanoclusters shows potential to precisely control the number of surface ligands and to explore new ligand space at each nuclearity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗