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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 OSTI2022

Between Harmonic Crystal and Glass: Solids with Dimpled Potential-Energy Surfaces Having Multiple Local Energy Minima

Solids with dimpled potential-energy surfaces are ubiquitous in nature and, typically, exhibit structural (elastic or phonon) instabilities. Dimpled potentials are not harmonic; thus, the conventional quasiharmonic approximation at finite temperatures fails to describe anharmonic vibrations in such solids. At sufficiently high temperatures, their crystal structure is stabilized by entropy; in this phase, a diffraction pattern of a periodic crystal is combined with vibrational properties of a phonon glass. As temperature is lowered, the solid undergoes a symmetry-breaking transition and transforms into a lower-symmetry phase with lower lattice entropy. Here, we identify specific features in the potential-energy surface that lead to such polymorphic behavior; we establish reliable estimates for the relative energies and temperatures associated with the anharmonic vibrations and the solid–solid symmetry-breaking phase transitions. We show that computational phonon methods can be applied to address anharmonic vibrations in a polymorphic solid at fixed temperature. To illustrate the ubiquity of this class of materials, we present a range of examples (elemental metals, a shape-memory alloy, and a layered charge-density-wave system); we show that our theoretical predictions compare well with known experimental data.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

The Material Response of PICA-NuSil to a Hypersonic Flow Environment

Phenolic Impregnated Carbon Ablator (PICA) is NASA’s baseline thermal protection system for missions to Mars. PICA is friable; therefore, NuSil ® CV-1144-0 is applied to the surface of flight hardware to mitigate the contamination of spacecraft sensors. NuSil is composed of a polysiloxane resin system that can transform into an oxidation-resistant coating upon heating. Therefore, a pathfinder campaign was conducted at the Hypersonic Materials Environmental Test System (HyMETS) at the NASA Langley Research Center to investigate the material response of instrumented sphere-cone models made from PICA coated with NuSil ® . Analysis of the post-test data is presented and suggests that NuSil ® impacts the material response of test articles subjected to oxidizing atmospheres, as evidenced by a reduction of the measured surface temperature and in-depth temperature response. Finally, a four-step ablation mechanism is proposed based on observations from high-speed video, optical emission spectroscopy, thermal analysis, and post-test surface characterization.

PICA PICA-NuSil Siloxane Silicone↗
DOE OSTI2024

AP-XPS Study of the Reaction of O 2 and CO 2 with Zn–Au(111) Surface Alloys: Activation of O–O/C–O Bonds and the Formation of ZnO

Synchrotron-based ambient-pressure X-ray photoelectron spectroscopy (AP-XPS) was used to study the dissociation of O 2 and CO 2 on Zn-Au(111) alloys which contained 0.2-0.3 monolayers of zinc. Although Au(111) is inert, the alloys displayed a high activity for the cleavages of O-O and C-O bonds at room temperature with the formation of ZnO x species. Dissociative adsorption of O 2 at 300 K destroyed the alloys and the results of AP-XPS pointed to the co-existence of two types of oxygen species on the surface: ZnO x and chemisorbed O atoms (O chem ) on Au or the Au-ZnO interface. Annealing from room temperature to 600 K induced a O chem → ZnO x transformation that reflected the poor stability of O atoms on Au(111). The Zn-Au(111) systems exhibited a reactivity towards CO 2 that was much larger than that seen for Au(111), Cu(111) or surfaces of late transition metals like, Ni, Pd or Pt. At 300 K, CO 2 underwent partial dissociation depositing large amounts of O chem on the surface with minor formation of ZnO x . In addition, the deposited O chem reacted with CO 2 to form surface carbonate groups. Dosing of CO 2 at 500-600 K mainly led to the formation of ZnO x and the surface carbonate almost disappeared. In the presence of hydrogen, i.e. reaction feeds with a CO 2 to H 2 ratio of 1:3, the surface chemistry at 300 K was very similar to that seen for pure CO 2 with the formation of ZnO x and carbonate groups. In contrast, at 500-600 K, reaction with hydrogen induced the removal of ZnO x and CO 3 /HCOO species. Finally, our AP-XPS results are consistent with the idea that CO 2 hydrogenation on AuZn alloys involves a redox process where there is sequential oxidation by CO 2 and reduction by H 2 to yield methanol.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Toward Understanding and Controlling Organic Reactions on Metal Oxide Catalysts

Metal oxides have structurally complex surfaces on which a variety of adsorption site types can occur, including cation sites, anion sites, oxygen vacancy sites, and Brønsted acid sites. These sites can catalyze the catalytic transformation of organic molecules via diverse routes, thus enabling H abstraction, O abstraction, C–C bond formation, and other reactions. This Perspective provides an update on recent advances and future directions for various organic reactions on metal oxide catalyst surfaces, particularly for C–H activation of alkanes and for C–C bond formation with organic oxygenate reactants. Here, we put emphasis on the molecular scale details, on the active site structures required to enable the formation of kinetically relevant transition states, energetic descriptors, as well as contemporary ideas to enable low activation energies. This progress has been enabled by specialized experiments and the increased capabilities of modern electronic structure calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Image Tiling for Profiling Large Objects

Three dimensional surface measurements of large objects arc required in a variety of industrial processes. The nature of these measurements is changing as optical instruments arc beginning to replace conventional contact probes scanned over the objects. A common characteristic of the optical surface profilers is the trade off between measurement accuracy and field of view. In order to measure a large object with high accuracy, multiple views arc required. An accurate transformation between the different views is needed to bring about their registration. In this paper, we demonstrate how the transformation parameters can be obtained precisely by choosing control points which lie in the overlapping regions of the images. A good starting point for the transformation parameters is obtained by having a knowledge of the scanner position. The selection of the control points arc independent of the object geometry. By successively recording multiple views and obtaining transformation with respect to a single coordinate system, a complete physical model of an object can be obtained. Since all data arc in the same coordinate system, it can thus be used for building automatic models for free form surfaces.

Venkataraman, Ajit↗
NASA NTRS1985

The effects of surface finish and grain size on the strength of sintered silicon carbide

The effects of surface treatment and microstructure, especially abnormal grain growth, on the strength of sintered SiC were studied. The surfaces of sintered SiC were treated with 400, 800 and 1200 grit diamond wheels. Grain growth was induced by increasing the sintering times at 2050 C. The beta to alpha transformation occurred during the sintering of beta-phase starting materials and was often accompanied by abnormal grain growth. The overall strength distributions were established using Weibull statistics. The strength of the sintered SiC is limited by extrinsic surface flaws in normal-sintered specimens. The finer the surface finish and grain size, the higher the strength. But the strength of abnormal sintering specimens is limited by the abnormally grown large tabular grains. The Weibull modulus increases with decreasing grain size and decreasing grit size for grinding.

You, Y. H.↗
DOE OSTI2021

Integrated atomic force microscopy and x-ray irradiation for in situ characterization of radiation-induced processes

Understanding radiation-induced chemical and physical transformations at material interfaces is important across diverse fields, but experimental approaches are often limited to either ex situ observations or in situ electron microscopy or synchrotron-based methods in which cases the radiation type and dose are inextricably tied to the imaging basis itself. In this work we overcome this limitation by demonstrating integration of an X-ray source with an atomic force microscope to directly monitor radiolytically-driven interfacial chemistry at the nanoscale. We illustrate the value of in situ observations by examining effects of radiolysis on material adhesion forces in aqueous solution, as well as examining the production of alkali nitrates at the interface between an alkali halide crystal surface and air. For the examined salt-air interface, direct visualization under flexible experimental conditions greatly extends prior observations by enabling the transformation process to be followed comprehensively from source-to-sink with mass balance quantitation. Overall, our novel rad-AFM opens doors into understanding the dynamics of radiolytically-driven mass transfer and surface alteration at the nanoscale in real-time.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Adapting confocal Raman microscopy for in situ studies of redox transformations at electrode-electrolyte interfaces

Confocal Raman microscopy was applied to quantify redox species present within the diffusion layer adjacent to an electrode surface under potentiostatic control. A glass microscope coverslip with a thin indium tin oxide (ITO) coating served as both the working electrode and optical window for a microscope-stage mountable spectroelectrochemical cell. A high numerical aperture objective mounted in an inverted microscope frame just below the stage brought excitation radiation through the coverslip window and to a tight focus a few micrometers above the ITO film surface. Species diffusing into the confocal probe volume defined by the excitation beam focus and the collected light region were detected, identified and quantified based on their Raman scattering frequencies and intensities. Here, in measurements that interrogated the interconversion of ferrocyanide and ferricyanide ions as a function of applied voltage, least-squares regression analysis of spectral datasets predicted the formal potential and relative surface concentrations of the ions in good agreement with the expected Nernstian response. Preliminary studies of methyl viologen reduction at an ITO film/Nafion membrane interface were conducted and show the possibility for estimation of mass transport coefficients of redox species within ionic polymer materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

Chemical analysis of metal and polymer surfaces on the front and rear LDEF

The University of Alabama in Huntsville experiment AO114 contained 128 solid surface samples, half of which were exposed on the front and half on the rear of the Long Duration Exposure Facility (LDEF). Each sample is being subject to a battery of analysis methods. In poster form, details of the x-ray photoelectron spectra, Auger electron spectra, Fourier Transform Infrared and ATR infrared spectra, high resolution profilometry, and scanning electron microscope imagery will be presented from a selection of metal and non-metal surfaces.

Christi, L.↗
NASA NTRS1992

An engineer/constructor's view of lunar resource development

A strawman lunar outpost scenario has been postulated as a special focus to guide the papers in this symposium. This scenario describes an evolving facility with basic components, personnel, and activities intended to support lunar missions that lead to a permanent occupation on the lunar surface. The engineer/constructor's view of establishing a lunar outpost is largely concerned with identifying and analyzing the logistics needed to transform the engineering designs on paper into a constructed and operating facility. This means that all aspects of the outpost design will be examined to satisfy constructability requirements and to develop a construction management plan that leads to successful facility startup and routine operations. Whether the facility is to be devoted to materials production, vehicle refueling, or science projects will influence the construction plan in its details, but the construction of all lunar facilities will be mainly governed by the difficult logistics path from Earth to the lunar surface.

Jones, Carleton H.↗
NASA NTRS1994

Negative regulators of cell proliferation

Cell proliferation is governed by the influence of both mitogens and inhibitors. Although cell contact has long been thought to play a fundamental role in cell cycling regulation, and negative regulators have long been suspected to exist, their isolation and purification has been complicated by a variety of technical difficulties. Nevertheless, over recent years an ever-expanding list of putative negative regulators have emerged. In many cases, their biological inhibitory activities are consistent with density-dependent growth inhibition. Most likely their interactions with mitogenic agents, at an intracellular level, are responsible for either mitotic arrest or continued cell cycling. A review of naturally occurring cell growth inhibitors is presented with an emphasis on those factors shown to be residents of the cell surface membrane. Particular attention is focused on a cell surface sialoglycopeptide, isolated from intact bovine cerebral cortex cells, which has been shown to inhibit the proliferation of an unusually wide range of target cells. The glycopeptide arrest cells obtained from diverse species, both fibroblasts and epithelial cells, and a broad variety of transformed cells. Signal transduction events and a limited spectrum of cells that are refractory to the sialoglycopeptide have provided insight into the molecular events mediated by this cell surface inhibitor.

Review↗
DOE OSTI2022

Superhydrophobic to superhydrophilic wettability transition of functionalized SiO 2 nanoparticles

The superhydrophobic and superhydrophilic surfaces and their transitions are of great interest for the production of self-cleaning, anti-biofouling, or corrosion-resistant materials. This research reports the wettability transition from superhydrophobic to superhydrophilic SiO 2 nanoparticles functionalized with 1H, 1H, 2H, 2H-perfluorooctyltriethoxysilane (POTS) and induced by temperature. The functionalization of these nanoparticles was confirmed by Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy (XPS), and transmission electron microscopy. The functionalization of SiO 2 nanoparticles with POTS resulted in superhydrophobic surfaces with water contact angles up to 157°. A sudden transition to superhydrophilic behavior with water contact angles (WCA) below 5° was observed when the sample was heat-treated at 500 °C, despite the presence of fluorine on the surface of these nanoparticles, as confirmed by XPS and transmission electron microscopy. XPS suggested that the transition was caused by the change in orientation of the fluoroalkyl molecules and its partial decomposition due to the loss of the –CF 3 group, resulting in shorter chains with a tail-end group with C–O bonds, which promoted the superhydrophilicity.

36 MATERIALS SCIENCE↗
NASA NTRS2003

Contactless Rotary Electrical Couplings

Rotary electrical couplings based on induction (transformer action) rather than conduction between rotating and stationary circuitry have been invented. These couplings provide an alternative to slip rings and contact brushes. Mechanical imperfections of slip-ring and brush contact surfaces and/or dust particles trapped between these surfaces tend to cause momentary interruptions in electrical contact and thereby give rise to electrical noise. This source of noise can be eliminated in the inductive rotary couplings because no direct contact is necessary for transformer action.

Kumagai, Hiroyuki↗
DOE OSTI2024

Understanding improved cycling and thermal stability of compositionally graded Ni-rich layered LiNi 0.6 Mn 0.2 Co 0.2 O 2 cathode materials

The concentration gradient is a strategic design, adjusting the distribution of Ni, typically with a higher Ni content in the core and a higher Mn content toward the surface. This design leverages the pivotal role of the Ni/Mn ratio, seeking to optimize cathode performance by balancing Ni's high capacity with Mn's stabilizing effects, particularly at the surface where degradation commonly occurs during cycling. Here, our study delves into the intricate structural and chemical transformations within concentration gradient cathode materials during electrochemical cycling. Utilizing advanced synchrotron X-ray techniques, including hard and soft X-ray absorption spectroscopy (hXAS, sXAS), and nanoscale X-ray imaging, we investigate buried changes in concentration gradient LiNi 0.6 Mn 0.2 Co 0.2 O 2 (CG NMC622). Contrary to conventional assumptions, our findings challenge the notion that cycling stability relies solely on Mn stability. Unraveling the roles of Ni and Mn, we uncover how their individual and collective contributions impact the cathode's overall performance. This investigation transcends established paradigms, shedding light on the crucial mechanisms governing the enhanced cycling stability of Nirich layered cathode materials.

25 ENERGY STORAGE↗
DOE OSTI2021

Simultaneous attenuation of trace organics and change in organic matter composition in the hyporheic zone of urban streams

Trace organic compounds (TrOCs) enter rivers with discharge of treated wastewater. These effluents can contain high loads of dissolved organic matter (DOM). In a 48 h field study, we investigated changes in molecular composition of seven DOM compound classes (FTICR-MS) and attenuation of 17 polar TrOCs in a small urban stream receiving treated wastewater. Correlations between TrOCs and DOM were used to identify simultaneous changes in surface water and the hyporheic zone. Changes in TrOC concentrations in surface water ranged between a decrease of 29.2% for methylbenzotriazole and an increase of 152.2% for the transformation product gabapentin-lactam. In the hyporheic zone, only decreasing TrOC concentrations were observed, ranging from 4.9% for primidone to 93.8% for venlafaxine . TrOC attenuation coincided with a decline of molecular diversity of easily biodegradable DOM compound classes while molecular diversity of poorly biodegradable DOM compound classes increased. This concurrence indicates similar or linked attenuation pathways for biodegradable DOM and TrOCs. Strong correlations between TrOCs and DOM compound classes as well as high attenuation of TrOCs primarily occurred in the hyporheic zone. This suggests high potential for DOM turnover and TrOC mitigation in rivers if hyporheic exchange is sufficient.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Numerical Study of Solar Receiver Tube With Modified Surface Roughness for Enhanced and Selective Absorptivity in Concentrated Solar Power Tower

Abstract Concentrated solar power (CSP) is a reliable renewable energy source that is progressively lowering its cost of energy. However, the heat loss due to reflected and emitted radiation hinders the maximum achievable thermal efficiency for solar receiver tubes on the solar tower. Current solar selective coatings cannot withstand the high temperatures that come with state-of-the-art CSP towers often needing to be recoated soon after initial operation. We intend to use Inconel 718 with different additive manufacturing (AM) practices to construct surfaces that allow for more light-trapping to occur. By adjusting printing parameters, we can tailor a surface to allow for more absorption while diminishing emitted radiation heat loss. By using COMSOL Multiphysics, we can generate these theoretical surfaces to emulate a printed surface, and using the coupled Multiphysics we can simulate how the surface dictates radiation properties. Our results show that by having a rougher surface we can enhance the absorptivity of Inconel 718 (IN718) by 38.8%. We expect this work to transform how solar absorber tubes are manufactured without using selective coatings and supplement the US Department of Energy (DOE) 2030 SunShot Initiative.

14 SOLAR ENERGY↗