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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 1,657 records · Page 92
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

First Principles Simulations of Electrified Interfaces in Electrochemistry

This chapter discusses some of the recent advances made in the first principles modeling of electrochemical catalysts. It also discusses the key development, namely the ability to explicitly treat the effects of surface electrification due to electrochemical processes and applied voltages in a computationally efficient manner. The chapter introduces the thermodynamics and statistical mechanics of electrified metal-solution interfaces. It then discusses the structure of the electrode-electrolyte interface and the effects of applied voltages, followed by an overview of the first-principles model and a motivating example. The chapter also provides a brief summary of classical thermodynamics and describes the basics of thermodynamic detour. It considers the thermodynamics of macroscopic systems and introduces several useful fundamental relations. Here, the chapter also considers a system to exist in a certain macrostate, which is a particular thermodynamic state specified by a set of fixed properties such as constant particle number, constant volume, and constant temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Simplified Model and Approach to Transform Infrared Surface Temperature to Film Effectiveness in a Conjugate Heat Transfer Experiment

In the pursuit of more efficient gas turbines, film cooling is a critical technology. This article describes a simplified engineering model based on a one-dimensional thermal resistance network. The model is used to relate film-cooling effectiveness and heat transfer augmentation to local overall cooling effectiveness in a conjugate flat plate experiment. Here, this article presents experimental proof-of-concept data to demonstrate the potential for this model. In contrast to previous approaches, neither the wall heat flux nor the adiabatic wall temperature is required to estimate the local film-cooling performance parameters. The model predicts surface temperatures that are within the experimental uncertainties over the range for which the model is trained and to within five percent when the model is extrapolated to higher coolant channel Reynolds numbers. This article is relevant to conjugate test rigs that can measure the hot-surface temperature distribution with and without film cooling. This information may also be relevant to designers as a method to approximate surface temperatures or used as an approximate heat transfer model for optimization studies.

advanced turbines↗
NASA NTRS1984

Elastohydrodynamic Lubrication. Status of Understanding

The development of elastohydrodynamic lubrication can be divided into three main stages. The first stage is the development of the idealized form of elastohydrodynamic lubrication, namely where the surfaces are smooth, the fluid behavior is assumed to be Newtonian, and isothermal considerations are assumed. Results based on these assumptions are presented for the complete spectrum of contact geometries (rectangular and elliptical), contact materials (hard and soft), and lubricant availability (fully flooded and starved). The status of understanding for the idealized stage of elastohydrodynamic lubrication is fairly well covered in the existing literature. The second stage of development separately incorporates the effects of a non-Newtonian fluid model, thermal effects, and surface roughness effects into the elastohydrodynamic lubrication model developed in stage 1. Results showing recent developments in this stage are presented. The third stage collectively considers the items considered in stage 2 in investigating the lubrication of real surfaces in their operating environments.

Bernard J Hamrock↗
DOE OSTI2025

Simplified Model and Approach to Transform Infrared Surface Temperature to Film Effectiveness in a Conjugate Heat Transfer Experiment

This paper describes a simplified engineering model based on a one-dimensional thermal resistance network. The model is used to develop a new method to relate film cooling effectiveness and heat transfer augmentation to local overall cooling effectiveness in a conjugate flat plate experiment. This paper presents experimental proof-of-concept data to demonstrate the potential for this model. In contrast to previous approaches, neither the wall heat flux nor the adiabatic wall temperature is required to estimate the local film cooling performance parameters. The model predicts surface temperatures that are within the experimental uncertainties over the range for which the model is trained, and to within five percent when the model is extrapolated to higher coolant channel Reynolds numbers. This paper is relevant to conjugate test rigs that can measure the hot surface temperature distribution with and without film cooling. This information may also be relevant to designers as a method to approximate surface temperatures or used as an approximate heat transfer model for optimization studies.

advanced gas turbines↗
NASA NTRS1980

Unsteady effects of a control surface in two dimensional subsonic and transonic flow

The experimental results of steady and unsteady pressure measurements, carried out in subsonic and transonic flow on a 16 percent relative thickness supercritical aerofoil, equipped with a trailing edge flap involving 25 percent of the chord, in a sinusoidal motion are given. These experimental results are compared with those obtained by various methods of steady and unsteady inviscid flow calculations. Some calculation results in which viscous effects have been taken into account, for both steady and unsteady flows, are also presented.

Grenon, R.↗
DOE OSTI2021

Opposite Responses of the Dry and Moist Eddy Heat Transport Into the Arctic in the PAMIP Experiments

Given uncertainty in the processes involved in polar amplification, elucidating the role of poleward heat and moisture transport is crucial. The Polar Amplification Model Intercomparison Project (PAMIP) permits robust separation of the effects of sea ice loss from sea surface warming under climate change. We utilize a moist isentropic circulation framework that accounts for moisture transport, condensation, and eddy transport, in order to analyze the circulation connecting the mid-latitudes and the Arctic. In PAMIP's atmospheric general circulation model experiments, prescribed sea ice loss reduces poleward heat transport (PHT) by warming the returning moist isentropic circulation at high latitudes, while prescribed warming of the ocean surface increases PHT by strengthening the moist isentropic circulation. Inter-model spread of PHT into the Arctic reflects the tug-of-war between sea-ice and surface-warming effects.

58 GEOSCIENCES↗
DOE OSTI2015

Optical properties of CTAB modified ZrO{sub 2} nanoparticles

Among various metal oxides, Zirconia (ZrO{sub 2}) has been considered as one of the most investigated materials for its outstanding mechanical properties and ionic conduction properties, due to its high oxygen ion conduction. ZrO{sub 2} nanoparticles with and without surfactant CTAB (Cetyltrimethylammonium bromide) were synthesized by hydrothermal method. Surfactants form a unique class of chemical compounds, because of their remarkable ability to influence the properties of surface and interface of compound. The remarkable effect of surfactant on the optical properties of Zirconia nanoparticles were investigated comprehensively by X-Ray diffraction (XRD), UV-visible and Photoluminescence spectroscopy. The crystalline nanoparticles with tetragonal phase have been observed. The size of nanoparticles has been found to decrease with use of surfactant. The optical properties have also been found to change as an effect of surface modification of nanoparticles.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Energetics of hydrogen and helium-vacancy complexes in bulk and near surfaces of tungsten: First-principles study

Understanding the interaction between hydrogen (H) and helium-vacancy (He-V) complexes in tungsten (W) is important for the development of plasma-facing materials in fusion reactors. H trapping by He x V y complexes in bulk W, as well as the H solution behavior and H trapping by He x V complexes near W(100), W(111), and W(110) surfaces, has been investigated by first-principles computer simulations using density function theory. The results show that the sequential H binding energies to He x V complexes in bulk W decrease with the increasing number of H and He. For the He x V 2 complexes in bulk W, H prefers to trap at interstitial sites near the junction of the di-vacancy, where the H can minimize the isosurface of optimal charge density. The most stable interstitial sites for H below W surfaces are dependent on the surface orientation. Our calculations indicate that H atoms tend to prefer a depth of 0.3 nm below the W(100) and W(111) surfaces due to the surface reconstruction. Here, the binding energy of H to a HeV complex near W surfaces has the most significant orientation dependence below the W(111) surface, followed by the W(100) and W(110) surfaces. Compared with the bulk value, the largest difference in the average binding energy of H to the stable He x V complexes at the three W surfaces is about 0.2 eV. Furthermore, the effect of surfaces on the H binding energy to He x V complexes can be ignored for depths greater than 0.65 nm.

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

Bonding Energy of Silicon and Sapphire Wafers at Elevated Temperatures of Joining

The hydrophilicity of surfaces and the bonding energy of silicon and sapphire wafers at the temperature of joining 50°C are studied. It is established that heating of the Si and Al{sub 2}O{sub 3} wafers to 50°C is accompanied by an increase in the degree of hydrophilicity of the wafer surfaces. The effect is attributed to improvement in the surface purity due to the desorption of impurity atoms into vacuum and to an increase in the density of dangling bonds. It is found that the bonding energy of silicon and sapphire wafers joined at a temperature of 50°C and upon further heating in the range 100–250°C is higher compared to the bonding energy of wafers joined at room temperature. The activation energy of the growth of the bonding energy is determined. It is found that this activation energy is 0.57 eV.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Surface Functionalized Barium Titanate Nanoparticles: A Combined Experimental and Computational Study

Barium titanate (BTO) nanoparticles show great potential for use in electrostatic capacitors with high energy density. This includes both polymer composite and sintered capacitors. However, questions about the nanoparticles' size distribution, amount of agglomeration, and surface ligand effect on performance properties remain. Reducing particle agglomeration is a crucial step to understanding the properties of nanoscale particles, as agglomeration has significant effects on the composite dielectric constant. BTO surface functionalization using phosphonic acids is known reduce BTO nanoparticle agglomeration. We explore solution synthesized 10 nm BTO particles with tert-butylphosphonic acid ligands. Recent methods to quantifying agglomeration using an epoxy matrix before imaging shows that tert-butylphosphonic acid ligands reduce BTO agglomeration by 33%. Thermometric, spectroscopic, and computational methods provide confirmation of ligand binding and provide evidence of multiple ligand binding modes on the BTO particle surface.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Functional Surface Coating to Enhance the Stability of LiNi 0.6 Mn 0.2 Co 0.2 O 2

Parasitic reactions are responsible for continuous performance loss during the normal operation and storage of lithium-ion batteries, particularly for those using nickel-rich cathode materials. Among many contributors, residual Li 2 CO 3 on the surface of nickel-rich cathodes plays a detrimental role in promoting parasitic reactions, and hence accelerates the performance loss of those cathode materials. In this work, a wet impregnation process was utilized to convert the detrimental Li 2 CO 3 and LiOH impurities into a beneficial functional surface coating comprising phosphates. Specifically, hydro-phosphates were used as the functional surface modification agents to mitigate the detrimental effect of surface residuals. The best electrochemical performance was achieved by modifying LiNi 0.6 Mn 0.2 Co 0.2 O 2 with a diluted dihydro-phosphate solution (pKa = 7.2), while the metal cation had a negligible impact on the electrochemical performance. This work provides a cheap and simple method for enabling the high performance of nickel-rich cathodes.

25 ENERGY STORAGE↗
NASA NTRS1975

Wear and interfacial transport of material

The paper is a review of adhesion or bonding across an interface between two solids in contact, transfer or transport to one or both surfaces, wear with tangential motion, and the effect of surface films on adhesion, transfer, and wear. The discussion is limited to the case of adhesive wear which deals with the interfacial transport of material from one surface to another. The data presented suggest that the resulting interfacial adhesive bond for metals in contact is generally stronger than the cohesive bond in the cohesively weaker of the two materials so that upon separation of the surfaces transfer will occur from the cohesively weaker material to the cohesively stronger; that with tangential motion of two metal surfaces in contact such as encountered with sliding, rolling, or rubbing contact, the frictional energy can be dissipated in a number of ways, where heating of the surfaces can produce metallurgical changes such as alloying; and that the presence of adsorbed and reacted films on the surface of metals and alloys even in frictions of a monolayer can reduce interfacial bonding, adhesion, and transfer.

Buckley, D. H.↗
NASA NTRS1992

A continuum method for modeling surface tension

In the novel method presented for modeling the effects of surface tension on fluid motion, the interfaces between fluids with different, color-represented properties are finite-thickness transition regions across which the color varies continuously. A force density proportional to the surface curvature of constant color is defined at each point in the transition region; this force-density is normalized in such a way that the conventional description of surface tension on an interface is recovered when the ratio of local transition-reion thickness to local curvature radius approaches zero. The properties of the method are illustrated by computational results for 2D flows.

Brackbill, J. U.↗
NASA NTRS1992

Melt-processing of lunar ceramics

The goal of this project is to produce useful ceramics materials from lunar resources using the by products of lunar oxygen production processes. Emphasis is being placed on both fabrication of a variety of melt-processed ceramics, and on understanding the mechanical properties of these materials. Previously, glass-ceramics were formed by casting large glass monoliths and heating these to grow small crystallites. The strengths of the resulting glass-ceramics were found to vary with the inverse square root of the crystal grain size. The highest strengths (greater than 300 MPa) were obtained with the smallest crystal sizes (less than 10 microns). During the past year, the kinetics of crystallization in simulated lunar regolith were examined in an effort to optimize the microstructure and, hence, mechanical properties of glass ceramics. The use of solar energy for melt-processing of regolith was examined, and strong (greater than 630 MPa) glass fibers were successfully produced by melt-spinning in a solar furnace. A study of the mechanical properties of simulated lunar glasses was completed during the past year. As on Earth, the presence of moisture was found to weaken simulated lunar glasses, although the effects of surface flaws was shown to outweigh the effect of atmospheric moisture on the strength of lunar glasses. The effect of atmospheric moisture on the toughness was also studied. As expected, toughness was found to increase only marginally in an anhydrous atmosphere. Finally, our efforts to involve undergraduates in the research lab fluorished this past year. Four undergraduates worked on various aspects of these projects; and two of them were co-authors on papers which we published.

Fabes, B. D.↗
NASA NTRS1959

Boundary-Layer Transition on Hollow Cylinders in Supersonic Free Flight as Affected by Mach Number and a Screwthread Type of Surface Roughness

The effects of Mach number and surface-roughness variation on boundary-layer transition were studied using fin-stabilized hollow-tube models in free flight. The tests were conducted over the Mach number range from 2.8 to 7 at a nominally constant unit Reynolds number of 3 million per inch, and with heat transfer to the model surface. A screwthread type of distributed two-dimensional roughness was used. Nominal thread heights varied from 100 microinches to 2100 microinches. Transition Reynolds number was found to increase with increasing Mach number at a rate depending simultaneously on Mach number and roughness height. The laminar boundary layer was found to tolerate increasing amounts of roughness as Mach number increased. For a given Mach number an optimum roughness height was found which gave a maximum laminar run greater than was obtained with a smooth surface.

James, Carlton S.↗