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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 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Engineering shallow spins in diamond with nitrogen delta-doping

We demonstrate nanometer-precision depth control of nitrogen-vacancy (NV) center creation near the surface of synthetic diamond using an in situ nitrogen delta-doping technique during plasma-enhanced chemical vapor deposition. Despite their proximity to the surface, doped NV centers with depths (d) ranging from 5 to 100 nm display long spin coherence times, T{sub 2} > 100 {mu}s at d = 5 nm and T{sub 2} > 600 {mu}s at d {>=} 50 nm. The consistently long spin coherence observed in such shallow NV centers enables applications such as atomic-scale external spin sensing and hybrid quantum architectures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Tailored Solvent Treatment for Optimized Production of Upcycled Anodes from End-Of-Life Li-Ion Batteries

Recycling processes for lithium-ion batteries typically overlook graphite because of its lower market value relative to that of transition-metal-containing cathode materials. However, graphite recovered from cycled lithium-ion batteries holds additional engineered value associated with the solid-electrolyte interphase (SEI). The SEI contributes critical electronic passivation of the graphite surface but becomes highly resistive with extended cycling, yielding poor cell performance. In this work, we apply tailored solvent treatment to end-of-life (EOL) graphite anodes to selectively remove adverse SEI components while retaining beneficially passivating species. We evaluate a series of polar protic solvents to achieve targeted removal of SEI components and control selectivity through rational variation in solvent properties. The physiochemical properties of treatment solvents correlate with both the retained SEI composition and the corresponding electrochemical performance of solvent-treated “upcycled” graphite anodes. Within the initial set of solvents evaluated, top-performing candidates show capacity and Coulombic efficiency nearly equivalent to those of an analogous pristine anode, as well as promising electrochemical performance enhancement with regard to irreversible capacity-loss metrics. This study establishes critical design principles for an optimized anode upcycling method that enhances the value of recycled graphite by retaining and upgrading the SEI.

25 ENERGY STORAGE↗
DOE OSTI2014

Process for forming a long gas turbine engine blade having a main wall with a thin portion near a tip

A process is provided for forming an airfoil for a gas turbine engine involving: forming a casting of a gas turbine engine airfoil having a main wall and an interior cavity, the main wall having a wall thickness extending from an external surface of the outer wall to the interior cavity, an outer section of the main wall extending from a location between a base and a tip of the airfoil casting to the tip having a wall thickness greater than a final thickness. The process may further involve effecting movement, using a computer system, of a material removal apparatus and the casting relative to one another such that a layer of material is removed from the casting at one or more radial portions along the main wall of the casting.

42 ENGINEERING↗
DOE OSTI2017

Combined shape and topology optimization for minimization of maximal von Mises stress

Here, this work shows that a combined shape and topology optimization method can produce optimal 2D designs with minimal stress subject to a volume constraint. The method represents the surface explicitly and discretizes the domain into a simplicial complex which adapts both structural shape and topology. By performing repeated topology and shape optimizations and adaptive mesh updates, we can minimize the maximum von Mises stress using the p-norm stress measure with p-values as high as 30, provided that the stress is calculated with sufficient accuracy.

42 ENGINEERING↗
DOE OSTI2016

A simulation-optimization model for Stone column-supported embankment stability considering rainfall effect

Landslide due to rainfall has been and continues to be one of the most important concerns of geotechnical engineering. The paper presents the variation of factor of safety of stone column-supported embankment constructed over soft soil due to change in water level for an incessant period of rainfall. A combined simulation-optimization based methodology has been proposed to predict the critical surface of failure of the embankment and to optimize the corresponding factor of safety under rainfall conditions using an evolutionary genetic algorithm NSGA-II (Non-Dominated Sorted Genetic Algorithm-II). It has been observed that the position of water table can be reliably estimated with varying periods of infiltration using developed numerical method. The parametric study is presented to study the optimum factor of safety of the embankment and its corresponding critical failure surface under the steady-state infiltration condition. Results show that in case of floating stone columns, period of infiltration has no effect on factor of safety. Even critical failure surfaces for a particular floating column length remain same irrespective of rainfall duration.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Electrophysical Properties of Cd 0.96 Mn 0.04 Te 0.96 Se 0.04 Surface-Barrier Diodes

Diode structures, obtained by vacuum deposition of Al onto the surface of a p-Cd 0.96 Mn 0.04 Te 0.96 Se 0.04 single crystals, have been manufactured and studied. Applying the Sah-Noyce–Shockley carrier generation-recombination model, a quantitative description of the electrical characteristics of diodes has been achieved. Here, the resistivity of p-Cd 0.96 Mn 0.04 Te 0.96 Se 0.04 crystals was equal to ρ ≈ 400 Ω⋅cm and was determined from the I–V characteristics of the structure with two ohmic contacts, which were obtained by chemical deposition of gold. The activation energy of the dark temperature dependence of resistivity ρ=ρ(T) was equal to ΔE≈0.24 eV. The forbidden gap of p-Cd 0.96 Mn 0.04 Te 0.96 Se 0.04 crystals, found from the optical absorption spectra, was equal to E g =1.495 eV.

42 ENGINEERING↗
DOE OSTI2016

Structural and electronic properties of InN epitaxial layer grown on c-plane sapphire by chemical vapor deposition technique

Growth of InN epilayers on c-plane sapphire substrate by chemical vapor deposition technique using pure indium metal and ammonia as precursors has been systematically explored. It has been found that [0001] oriented indium nitride epitaxial layers with smooth surface morphology can be grown on c-plane sapphire substrates by optimizing the growth conditions. Bandgap of the film is observed to be Burstein–Moss shifted likely to be due to high background electron concentration. It has been found that the concentration of this unintentional doping decreases with the increase in the growth temperature and the ammonia flux. Epitaxial quality on the other hand deteriorates as the growth temperature increases. Moreover, the morphology of the deposited layer has been found to change from flat top islands to faceted mounds as the flow rate of ammonia increases. This phenomenon is expected to be related to the difference in surface termination character at low and high ammonia flow rates.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Self-replenishing Ni-rich stainless-steel electrode toward oxygen evolution reaction at ampere-level

In the past few decades, tremendous attention has been devoted to enhancing the activity of oxygen evolution reaction (OER) catalysts for hydrogen production, while the cost and long-term stability of catalysts, which can play an even more important role in industrialization, have been much less emphasized. Herein, we engineered an OER electrode from abundant stainless steel (SS) via facile approaches, and the obtained electrode consists of a Ni-rich oxide surface layer with a Fe-rich metal substrate. An outstanding activity was observed with an overpotential of 316 mV at 100 mA cm −2 in 1 M KOH electrolyte. Additionally, an electrode self-replenishing concept is proposed in which a Ni-rich catalyst layer can be regenerated from a metallic substrate due to the difference in diffusion and dissolution rates of metal oxides/hydroxides, and this regeneration is validated by various characterizations. A recorded degradation rate of 0.012 was observed at 1000 mA cm −2 for 1000 h. The facile engineering of OER electrodes from SS combined with the self-replenishing catalyst can potentially address the cost, activity, and long-term stability barriers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Dynamic condensation model of rolling droplets for high-performance heat transfer

Condensation is a critical process during vapor-liquid phase change in relation to heat transfer. To achieve a high heat transfer coefficient, the classical model for dropwise condensation requires a low contact angle and low contact angle hysteresis, failing to align with experimental observations on a hydrophobic and slippery quasi-liquid surface (QLS). Here, we report a dynamic condensation model that incorporates high-frequency condensate removal by emphasizing the role of timescale during droplet growth and shedding. Our model agrees well with the experimental result that a surface with high contact angle and low contact angle hysteresis promotes condensation, particularly during rolling-propelled condensate removal. Particle image velocimetry reveals that rolling droplets on a hydrophobic QLS exhibit 4-fold higher shedding speeds than the sliding droplets on a hydrophilic QLS, leading to significant heat transfer enhancement. This work deepens our theoretical understanding of condensation heat transfer and provides advanced physics-informed design rationales for water and energy systems.

42 ENGINEERING↗
DOE OSTI2015

Engineering Controlled Spalling in (100)-Oriented GaAs for Wafer Reuse

Controlled spalling offers a way to cleave thin, single-crystal films or devices from wafers, particularly if the fracture planes in the material are oriented parallel to the wafer surface. Unfortunately, misalignment between the favored fracture planes and the wafer surface preferred for photovoltaic growth in (100)-oriented GaAs produces a highly faceted surface when subject to controlled spalling. This highly faceted cleavage surface is problematic in several ways: (1) it can result in large variations of spall depth due to unstable crack propagation; (2) it may introduce defects into the device zone or underlying substrate; and (3) it consumes many microns of material outside of the device zone. We present the ways in which we have engineered controlled spalling for (100)-oriented GaAs to minimize these effects. We expand the operational window for controlled spalling to avoid spontaneous spalling, find no evidence of dislocation activity in the spalled film or the parent wafer, and reduce facet height and facet height irregularity. Resolving these issues provides a viable path forward for reducing III-V device cost through the controlled spalling of (100)-oriented GaAs devices and subsequent wafer reuse when these processes are combined with a high-throughput growth method such as Hydride Vapor Phase Epitaxy.

100 orientation↗
DOE OSTI2015

Technetium oxidation in slag-based sodium salt waste forms exposed to water and moist Hanford soil - 15514

Several U.S. DOE sites use or plan to use waste forms and/or concrete containment structures for radioactive waste disposal that are designed to have a chemically reducing environment to immobilize selected contaminants such as Tc(VII)O{sub 4}{sup -} and Cr(VI)O{sub 4}{sup 2-}. These waste forms and containment structures are typically deployed in near surface unsaturated oxidizing environments. Consequently, the effect of exposure to air (oxygen) and water containing dissolved oxygen during production, during the period of institutional control, and over the long term period of performance is important for predicting the speciation and mobility of the redox sensitive radioactive and stable contaminants. Both the SRS and Hanford waste streams contain soluble technetium which may require stabilization to meet disposal requirements. Technetium stabilization is a difficult problem because: 1) Tc is soluble and very mobile in the oxidized form typical of near surface environments, and 2) Tc-99 is a long-lived isotope with a half-life of 2.1 E+05 years which places demanding requirements on the engineered barriers and environment to meet current regulatory disposal requirements. A depth-discrete sampling and leaching method approach for measuring contaminant oxidation rate (effective contaminant specific oxidation rate) was used in this study. The method was modified by coating all sides of a cylindrical sample with an impermeable epoxy and cutting a fresh surface 2 to 2.5 cm from the original top surface eliminates sample inhomogeneity as the result of settling as a reason from observed results and provides 1-D soluble ion transport and gas transport information. Soluble Tc was leached from all of the depth-discrete sub-samples from both Tc2-9 and Tc2-10 which strongly suggests that oxygen was present in the entire length of both samples. About 24 mass percent of the Tc in the original sample, was leached (soluble) from sub-samples between 0.8 and 46 mm below the exposed surface of Tc2-9 (exposed to Hanford sediment). The same percent (24%) was leached from the sub-samples between 0.8 and 11 mm below the exposed surface of Tc2-10 (exposed to DI water). This suggests that the rate of oxygen migration into the sample exposed to soil was faster than the rate of migration into the sample exposed to water which is consistent with the more rapid transport of ions through a gas phase as compared to a liquid phase. It is assumed that moisture in the Hanford sediment was not sufficient to completely block the surface pores with respect to gas transport across the soil-waste form boundary. Based on nitrate leaching results for the depth- discrete sub-samples, regions depleted in nitrates were identified from the top surfaces to 9.5 and 3 mm into samples Tc2-9 (exposed to moist Hanford sediment) and Tc2-10 (DI water). Low mass fractions of nitrate were leached from these depth-discrete samples compared to samples further from the exposed surface presumably because a significant portion of the nitrate had already migrated into the soil or water, respectively. Depth-discrete sub-sample leaching results for Na can be interpreted in the same way over the same regions in the two samples tested. In conclusion, leaching monolithic porous cementitious waste forms in water appears to be conservative for non-redox sensitive contaminants. However, leaching data obtained under saturated exposure conditions do not appear to be conservative for redox sensitive contaminants which are easily oxidized. Leaching crushed samples in water still seems to be a conservative approach to estimating the concentrations of soluble contaminants in a waste form. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Growth optimization and characterization of GaN epilayers on multifaceted (111) surfaces etched on Si(100) substrates

The four nearest Si(111) multifaceted sidewalls were exposed inside an array of 3 μm-wide square holes patterned on an Si(100) substrate, and this patterned Si(100) substrate was used as a substrate for the deposition of a gallium nitride (GaN) epilayer. Subsequently the effect that the growth pressure, the etched-hole profiles, and the etched-hole arrangement had upon the quality of the as-grown GaN was investigated. The coalescence of the as-grown GaN epilayer on the exposed Si(111) facets was observed to be enhanced with reduced growth pressure from 120 to 90 Torr. A larger Si(001) plane area at the bottom of the etched holes resulted in bidirectional GaN domains, which resulted in poor material quality. The bidirectional GaN domains were observed as two sets of six peaks via a high-resolution x-ray diffraction phi scan of the GaN(10-11) reflection. It was also shown that a triangular array of etched holes was more desirable than square arrays of etched holes for the growth high-quality and continuous GaN films.

42 ENGINEERING↗
DOE OSTI2023

Development of pebble-based extruded carbon rods for extreme plasma heat flux environments

This work presents first experiments toward the development of continuously renewable (extrudable) pebble-based carbon rods for use as plasma-facing components in extreme steady-state plasma flux environments. The primary envisioned application of this work is a first wall that can survive long-term in future magnetic fusion power reactors while also improving recovery of the reactor fuel (tritium and deuterium atoms). Bench tests applying extreme steady-state front-surface heat loads of up to 50 MW/m 2 are presented. Continuous pebble rod front-surface recession and intact pebble recovery are successfully demonstrated, at a rate of order 0.2 cm/s. Numerical simulations of the pebble rod front-surface recession are able to match observations reasonably well, indicating that the recession mechanism can be understood as occurring due to pebble thermal expansion and resulting shock and cracking of the inter-pebble binder. Tests of the pebble rod extrusion demonstrate that friction between the rods and the stainless-steel extrusion channel is tolerably low (<50 N for the expected channel length) over a wide range of temperatures. Front-surface outgassing rates below 1000 Torr L/s/m 2 are achieved, believed to be sufficiently low for use in magnetic fusion reactors. In conclusion, initial parametric scans over pebble rod size and binder fraction to vary front-surface recession rates are presented.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Predicting the Fatigue Limit of Surface-Hardened Parts with Stress Concentrators

The possibility of predicting the fatigue limit of surface-hardened steel 20 with semicircular notches is considered: (1) on the basis of the residual stress at the surface of the cut; (2) on the basis of the integral mean residual stress over the thickness of the surface layer in the most hazardous cross section, which is equal to the critical depth for fatigue-crack propagation. The second approach proves more accurate. Experiments confirm that the critical depth for fatigue-crack propagation depends on the size of the most hazardous cross section.

42 ENGINEERING↗
DOE OSTI2018

Interface Engineering of Earth-Abundant Transition Metals Using Boron Nitride for Selective Electroreduction of CO 2

Two-dimensional atomically thin hexagonal boron nitride (h-BN) monolayers have attracted considerable research interest. In this paper, given the tremendous progress in the synthesis of h-BN monolayers on transition metals and their potential as electrocatalysts, we investigate the electrocatalytic activities of h-BN/Ni, h-BN/Co, and h-BN/Cu interfaces for CO 2 reduction by the first-principles density functional theory. We find that with the h-BN monolayer on the metal, electrons transfer from the metal to the interface and accumulate under the B atoms. By calculating the binding energies of three key intermediates (H, HCOO, and COOH) for hydrogen evolution and CO 2 reduction, we find that H binding on the metal can be significantly weakened by the h-BN monolayer, preventing the hydrogen evolution reaction (HER). However, the binding strength of HCOO is strong on both the metal and h-BN/metal, especially for Ni and Co, promoting the CO 2 reduction channel. On the basis of the free-energy diagrams, we predict that h-BN/Ni and h-BN/Co will have very good electrocatalytic activities for CO 2 reduction to HCOOH, while the competitive HER channel is filtered out by the surface h-BN monolayer. Finally, our study opens a new way for selective electroreduction of CO 2 via the interface engineering of the h-BN/metal system.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Anomalous structural evolution and √(3)×√(3) reconstruction of a clean Si(111) surface observed after thermal desorption of thallium

The authors have observed anomalous structural evolution of a clean Si(111) surface, which was prepared first by thallium (Tl) deposition on a Si(111)7 × 7 surface, leading to incomplete formation of a Tl/Si(111)1 × 1 structure at 300 °C and subsequent desorption of Tl at 350 °C. Thus prepared clean Si(111) surfaces exhibit structural changes with increase of temperature: 2×1→(√(3)×√(3))R30°→2×1→5×5→7×7, as observed by low-energy electron diffraction and scanning tunneling microscopy. Among the above structures, the (√(3)×√(3))R30° formed at 450–550 °C is found not to be a simple adatom structure. Instead, by means of ab-initio calculations a new metastable (√(3)×√(3))R30° reconstruction was found, having analogous structural features and formation origin to a 2 × 1 reconstruction known as the Pandey chain model. This new (√(3)×√(3))R30° model is 0.09 eV per surface atom less favorable than the 2 × 1 reconstruction. A reason for the anomalous occurrence of the (√(3)×√(3))R30° structure is explored with an aid of Monte Carlo simulations.

42 ENGINEERING↗
DOE OSTI2017

Modeling of Radiative Heat Transfer in an Electric Arc Furnace

Radiation is an important means of heat transfer inside an electric arc furnace (EAF). To gain insight into the complex processes of heat transfer inside the EAF vessel, not only radiation from the surfaces but also emission and absorption of the gas phase and the dust cloud need to be considered. Furthermore, the radiative heat exchange depends on the geometrical configuration which is continuously changing throughout the process. The present paper introduces a system model of the EAF which takes into account the radiative heat transfer between the surfaces and the participating medium. This is attained by the development of a simplified geometrical model, the use of a weighted-sum-of-gray-gases model, and a simplified consideration of dust radiation. The simulation results were compared with the data of real EAF plants available in literature.

42 ENGINEERING↗
DOE OSTI2023

Phase diagram to demarcate supercritical, transcritical, and continuous phase regimes for binary fluid equilibrium mixing relevant to combustion applications

Here, a robust methodology to develop phase diagrams of binary fluid mixtures at fixed thermo dynamic conditions (pressure, temperature, and mole fraction) as well as of two initially separated fluids undergoing mixing near critical conditions are presented for fluids and con ditions relevant to rockets, gas turbines, and diesel engine applications. Phase equilibria of mixtures is first examined to provide insight into the continuous-phase mixing behavior (including but not limited to supercritical behavior), and to develop a broadly applicable phase-diagram for binary fluid mixtures at fixed conditions. Next, adiabatic mixing theory and reduced Helmholtz equations of state are used to predict the thermodynamic conditions required to attain continuous-phase binary fluid mixing near critical conditions. Then, a 3D surface diagram (P,T fuel ,T amb ) separating single and two-phase regions is constructed by varying the ambient pressure and the initial temperatures of the two fluids. Polynomial fits of the 3D surfaces for 10 different binary mixtures are tabulated for nitrogen-alkane and methane-oxygen blends relevant to air-breathing and propellant based engines, respectively.

42 ENGINEERING↗