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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

Numerical investigation of internal high-speed viscous flows using a parabolic technique

A feasibility study has been conducted to assess the applicability of an existing parabolic analysis (ADD-Axisymmetric Diffuser Duct), developed previously for subsonic viscous internal flows, to mixed supersonic/subsonic flows with heat addition simulating a SCRAMJET combustor. A study was conducted with the ADD code modified to include additional convection effects in the normal momentum equation when supersonic expansion and compression waves are present. A set of test problems with weak shock and expansion waves have been analyzed with this modified ADD method and stable and accurate solutions were demonstrated provided the streamwise step size was maintained at levels larger than the boundary layer displacement thickness. Calculations made with further reductions in step size encountered departure solutions consistent with strong interaction theory. Calculations were also performed for a flow field with a flame front in which a specific heat release was imposed to simulate a SCRAMJET combustor. In this case the flame front generated relatively thick shear layers which aggravated the departure solution problem. Qualitatively correct results were obtained for these cases using a marching technique with the convective terms in the normal momentum equation suppressed. It is concluded from the present study that for the class of problems where strong viscous/inviscid interactions are present a global iteration procedure is required.

Anderson, O. L.↗
NASA NTRS1992

An extended Lagrangian method

A unique formulation of describing fluid motion is presented. The method, referred to as 'extended Lagrangian method', is interesting from both theoretical and numerical points of view. The formulation offers accuracy in numerical solution by avoiding numerical diffusion resulting from mixing of fluxes in the Eulerian description. Meanwhile, it also avoids the inaccuracy incurred due to geometry and variable interpolations used by the previous Lagrangian methods. Unlike the Lagrangian method previously imposed which is valid only for supersonic flows, the present method is general and capable of treating subsonic flows as well as supersonic flows. The method proposed in this paper is robust and stable. It automatically adapts to flow features without resorting to clustering, thereby maintaining rather uniform grid spacing throughout and large time step. Moreover, the method is shown to resolve multi-dimensional discontinuities with a high level of accuracy, similar to that found in one-dimensional problems.

Liou, Meng-Sing↗
NASA NTRS1993

Ultraviolet stability and contamination analysis of Spectralon diffuse reflectance material

A detailed chemical analysis was carried out on Spectralon, a highly Lambertian, diffuse reflectance material. Results of this investigation unambiguously identified the presence of an organic (hydrocarbon) impurity intrinsic to the commercial material. This impurity could be removed by a vacuum bake-out procedure and was identified as the cause of optical changes (degradation) that occur in the material when exposed to UV light. It was found that when this impurity was removed, the Spectralon material was photochemically stable and maintained its reflectance properties even after extensive solar UV exposure.

Stiegman, Albert E.↗
NASA NTRS1999

Dynamical Signatures of Living Systems

One of the main challenges in modeling living systems is to distinguish a random walk of physical origin (for instance, Brownian motions) from those of biological origin and that will constitute the starting point of the proposed approach. As conjectured, the biological random walk must be nonlinear. Indeed, any stochastic Markov process can be described by linear Fokker-Planck equation (or its discretized version), only that type of process has been observed in the inanimate world. However, all such processes always converge to a stable (ergodic or periodic) state, i.e., to the states of a lower complexity and high entropy. At the same time, the evolution of living systems directed toward a higher level of complexity if complexity is associated with a number of structural variations. The simplest way to mimic such a tendency is to incorporate a nonlinearity into the random walk; then the probability evolution will attain the features of diffusion equation: the formation and dissipation of shock waves initiated by small shallow wave disturbances. As a result, the evolution never "dies:" it produces new different configurations which are accompanied by an increase or decrease of entropy (the decrease takes place during formation of shock waves, the increase-during their dissipation). In other words, the evolution can be directed "against the second law of thermodynamics" by forming patterns outside of equilibrium in the probability space. Due to that, a specie is not locked up in a certain pattern of behavior: it still can perform a variety of motions, and only the statistics of these motions is constrained by this pattern. It should be emphasized that such a "twist" is based upon the concept of reflection, i.e., the existence of the self-image (adopted from psychology). The model consists of a generator of stochastic processes which represents the motor dynamics in the form of nonlinear random walks, and a simulator of the nonlinear version of the diffusion equation which represents the mental dynamics. It has been demonstrated that coupled mental-motor dynamics can simulate emerging self-organization, prey-predator games, collaboration and competition, "collective brain," etc.

Zak, M.↗
DOE OSTI2021

Deterioration mechanism of alkali-activated materials in sulfuric acid and the influence of Cu: A micro-to-nano structural, elemental and stable isotopic multi-proxy study

In this study, a multi-proxy approach combining {sup 29}Si, {sup 27}Al and {sup 1}H MAS-NMR, FEG-EPMA, XANES at the Cu K-edge and XRD analytics with hydrochemical tools such as ICP-OES analyses, oxygen-isotope signatures, and thermodynamic modelling was applied to K-silicate-activated metakaolin specimens - with and without CuSO{sub 4}·5H{sub 2}O addition - exposed to sulfuric acid at pH = 2 for 35 days. The results revealed a multistage deterioration mechanism governed by (i) acid diffusion, (ii) leaching of K-A-S-H, (iii) microstructural damage related to precipitation of expansive (K,Ca,Al)-sulfate-hydrate phases (iv) complete dissolution of the K-A-S-H framework, (v) and formation of silica gel in the outermost corroded regions. Copper ions were mainly located in layered spertiniite-chrysocolla-like phases in the as-cured materials. The results demonstrate an overall negative effect of Cu addition on chemical material durability, implying that the reported higher durability of Cu-doped AAM in biocorrosion environments can be best explained by bacteriostatic effects.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Binding and Translocation of Substrate Allosterically Promotes Functional Interactions Within the AlkB–AlkG Electron Transfer Complex

The alkane monooxygenase AlkB and rubredoxin AlkG form an electron transfer complex that hydroxylates terminal alkanes to produce alcohols. The recent cryoEM study of Fontimonas thermophila AlkB-AlkG complex revealed its architecture, including a dodecane (D12) substrate at the active site. However, FtAlkBG molecular mechanism of action of remains unknown. Here, in this study, we examined its dynamics and interactions by multiscale computations, including molecular dynamics simulations, elastic network models, and QM/MM of the oxygen activation mechanism at the AlkB catalytic site. D12 maintained stable interactions within the catalytic site during two MD runs, coordinated by hydrophobic residues L263-L264, I267, I133. A third extended run revealed that D12 could translocate to a membrane-exposed site near S49/F46 along a hydrophobic channel gated by I54. During this translocation, D12 was temporarily stabilized at intermediate sites IS1 (lined by I27/L30-G31/G50/L53-I54/P59/S124/A127-V128) and IS2 (I33-G34/L37/L45-F46/S49) before nearly exiting the protein, and diffused back to the active site, assisted by L30. Substrate binding and translocation across those intermediate sites affects the coupling between the iron centers in AlkBG, and interfacial interactions between AlkB-AlkG. The channel was further connected to the cytosol, near two surface-exposed arginines, potentially allowing for O 2 passage. The allosteric effects between D12 putative entry site, catalytic site and AlkB-AlkG interface were analyzed by ENM-based methods which confirmed the cooperative perturbation-responses and strongly correlated movements of residues belonging to those distal regions. Our study provides new mechanistic insights into key sites and their interactions that could be targeted for developing AlkB-variants with desirable alkane conversion functions.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2002

The Use of Transfer Radiometers in Validating the Visible through Shortwave Infrared Calibrations of Radiance Sources Used by Instruments in NASA's Earth Observing System

The detection and study of climate change over a time frame of decades requires successive generations of satellite, airborne, and ground-based instrumentation carefully calibrated against a common radiance scale. In NASA s Earth Observing System (EOS) program, the pre-launch radiometric calibration of these instruments in the wavelength region from 400 nm to 2500 nm is accomplished using internally illuminated integrating spheres and diffuse reflectance panels illuminated by irradiance standard lamps. Since 1995, the EOS Calibration Program operating within the EOS Project Science Office (PSO) has enlisted the expertise of national standards laboratories and government and university metrology laboratories in an effort to validate the radiance scales assigned to sphere and panel radiance sources by EOS instrument calibration facilities. This state-of-the-art program has been accomplished using ultra-stable transfer radiometers independently calibrated by the above participating institutions. In ten comparisons since February 1995, the agreement between the radiance measurements of the transfer radiometers is plus or minus 1.80% at 411 nm, plus or minus 1.31% at 552.5 nm, plus or minus 1.32% at 868.0 nm, plus or minus 2.54% at 1622nm, and plus or minus 2.81% at 2200nm (sigma =1).

Butler, James J.↗
DOE OSTI2023

Iodine Capture by Ag-Loaded Solid Sorbents Followed by Ag Recycling and Iodine Immobilization: An End-to-End Process

Here, this article demonstrates the complete process of I 2(g) capture using Ag-exchanged faujasite (AgX) and Ag-exchanged mordenite (AgZ) zeolite sorbents, the recovery of Ag for recyclability of iodine capture, and the immobilization of iodide (from the elution process) into an iodosodalite waste form, which is chemically and environmentally stable. The gaseous iodine, I 2(g) , was captured in the AgX via chemisorption by Ag and converted to AgI within the aluminosilicate zeolite frameworks. The elution reaction in Na 2 S resulted in the precipitation of Ag 2 S and dissolution of I – and Na + into the aqueous solution, where powdered sorbent showed higher conversion efficiency than the granular form, which is attributed to Na 2 S-solution diffusion limitations in the granules. The Ag 2 S-containing aluminosilicate precipitates were filtered out of the solution, and the filtrate (aqueous solution) was used to synthesize iodosodalite to immobilize iodide. The iodine capture using the recovered Ag 2 S-containing sorbents shows equivalent iodine loadings to the AgX starting material of Q e = 0.355 g/g for powdered material and 0.255 g/g for granular material, demonstrating the potential recycling of Ag for iodine capture as Ag 2 S-based sorbents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Stable and Catalytically Active Shape-Engineered Cerium Oxide Nanorods by Controlled Doping of Aluminum Cations

Shape-engineered nanocrystals (SENs) promise a better selectivity and a higher activity in catalytic reactions than the corresponding non-shape-engineered ones because of their larger specific surface areas and desirable crystal facets. However, often, it is challenging to apply SENs in practical catalytic applications at high reaction temperatures, where SENs deforms into more stable, less active nanoparticles. In this paper, we show that atomic layer deposition (ALD) of Al 2 O 3 at 200 °C can controllably dope Al cations into the shape-engineered CeO 2 nanorods (NRs) to not only increase their shape transition temperature from 400 °C to beyond 700 °C but also greatly increase their specific reversible oxygen storage capacity (srOSC). Furthermore, the substituted Al3+ ions impede the surface diffusion of Ce ions and therefore improve the thermal stability of CeO 2 NRs. These Al3+ dopants form -Al–O–Ce–O– clusters, which are new Ce species and can be reversibly reduced and oxidized at 500–700 °C. This low-temperature chemical doping method decouples the synthesis process of SENs from the doping process and maintains the shape of the SENs during the activation of dopants. This concept could be adopted to enable the applications of other SENs in challenging high-temperature environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1978

Low speed test of a high-bypass-ratio propulsion system with an asymmetric inlet designed for a tilt-nacelle V/STOL airplane

A large scale model of a lift/cruise fan inlet designed for a tilt nacelle V/STOL airplane was tested with a high bypass ratio turbofan. Testing was conducted at low freestream velocities with inlet angles of attack ranging from 0 deg to 120 deg. The operating limits for the nacelle were found to be related to inlet boundary layer separation. Small separations originating in the inlet diffuser cause little or no performance degradation. However, at sufficiently severe freestream conditions the separation changes abruptly to a lip separation. This change is associated with a significant reduction in nacelle net thrust as well as a sharp increase in fan blade vibratory stresses. Consequently, the onset of lip separation is regarded as the nacelle operating limit. The test verified that the asymmetric inlet design will provide high performance and stable operation at the design forward speed and angle of attack conditions. At some of these, however, operation near the lower end of the design inlet airflow range is not feasible due to the occurrence of lip separation.

Syberg, J.↗
NASA NTRS1982

Global observations of a SAR arc

A description is presented of the first results from observations of a stable auroral red (SAR) arc with the global auroral imaging instrumentation on board Dynamics Explorer (DE) 1. This instrumentation includes three spin-scan imaging photometers and a data control unit. The last visible-wavelength imaging sequence prior to onset of the geomagnetic storm begins at 0517 UT on October 20, 1981. An auroral substorm is observed in progress two orbits later, and as the substorm subsides and the diffuse aurora retreats poleward a narrow band of 630-nm emissions is observed at latitudes previously occupied by the aurora. This band is detected at 630 nm only, and is identified as the first optical observation of the SAR arc with DE 1. The third orbit of observations commences at 0830 UT on October 21 with the arc remaining visible across the nightside of earth. No visual signature of the SAR arc is detected during the sixth orbit.

Craven, J. D.↗
DOE OSTI2022

Pinned Electrode/Electrolyte Interphase and Its Formation Origin for Sulfurized Polyacrylonitrile Cathode in Stable Lithium Batteries

Sulfurized polyacrylonitrile (SPAN) represents one of the most promising directions for high-energy-density lithium (Li)-sulfur batteries. However, the practical application of Li||SPAN is currently limited by the insufficient chemical/electrochemical stability of electrode/electrolyte interphase (EEI). Here, a pinned EEI layer is designed for stabilizing a SPAN cathode by regulating the EEI formation mechanism in an advanced LiFSI/ether/fluorinated-ether electrolyte. Computational simulations and experimental investigations reveal that, benefiting from the nonsolvating nature, the fluorinated-ether can not only act as a protective shield to prevent the Li polysulfides dissolution but also, more importantly, endow a diffusion-controlled EEI formation process. It promotes the formation of a uniform, protective, and conductive EEI layer pinning into SPAN surface region, enabling the high loading Li||SPAN batteries with superior cycling stability, wide temperature performance, and high-rate capability. Finally, this design strategy opens an avenue for exploring advanced electrolytes for Li||SPAN batteries and guides the interface design for broad types of battery systems.

25 ENERGY STORAGE↗
DOE OSTI2024

Loss-cone stabilization in rotating mirrors: thresholds and thermodynamics

In the limit of sufficiently fast rotation, rotating mirror traps are known to be stable against the loss-cone modes associated with conventional (non-rotating) mirrors. This paper calculates how quickly a mirror configuration must rotate in order for several of these modes to be stabilized (in particular, the high-frequency convective loss cone, drift cyclotron loss cone and Dory–Guest–Harris modes). Commonalities in the stabilization conditions for these modes then motivate a modified formulation of the Gardner free energy and diffusively accessible free energy to be used for systems in which the important modes have wavevectors that are orthogonal or nearly orthogonal to the magnetic field, as well as a modification to include the effects of a loss region in phase space.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

In Situ Formation of Polycyclic Aromatic Hydrocarbons as an Artificial Hybrid Layer for Lithium Metal Anodes

Nonuniform Li deposition causes dendrites and low Coulombic efficiency (CE), seriously hindering the practical applications of Li metal. Herein, we developed an artificial solid-state interphase (SEI) with planar polycyclic aromatic hydrocarbons (PAHs) on the surface of Li metal anodes by a facile in situ formation technology. The resultant dihydroxyviolanthron (DHV) layers serve as the protective layer to stabilize the SEI. In addition, the oxygen-containing functional groups in the soft and conformal SEI film can regulate the diffusion and transport of Li ions to homogenize the deposition of Li metal. The artificial SEI significantly improves the CEs and shows superior cyclability of over 1000 h at 4 mAh cm –2 . The LiFePO 4 /Li cell (2.8 mAh cm –2 ) enables a long cyclability for 300 cycles and high CEs of 99.8%. Furthermore, this work offers a new strategy to inhibit Li dendrite growth and enlightens the design on stable SEI for metal anodes.

25 ENERGY STORAGE↗
DOE OSTI2020

Quantitative Prediction of Perovskite Stability Using Accelerated Testing and Machine Learning

PV technologies based on hybrid perovskites offer the potential for reducing solar cell costs, but they are particularly vulnerable to degradation by environmental factors such as moisture, oxygen, and illumination. Commercialization will require not only stable materials and device architectures but also accelerated testing protocols and models that can predict degradation from the accelerated testing data. Here, we report results from in situ photoluminescence (PL) and photoconductivity (PC) measurements during perovskite degradation with simultaneous optical transmittance (Tr) measurements or reflected dark field (DF) imaging. From PL, PC, Tr, and DF, we determine (respectively) the steady-state quasi-Fermi level splitting, the mean effective carrier diffusion length, the extent of conversion of perovskite to higher bandgap degradation products, and the extent of scattering from domains with different orientation or composition, all as a function of time during degradation. Simultaneous measurement of PL-PC-Tr or PL-PC-DF on perovskite absorbers in an environmental chamber over a wide range of humidity, oxygen, temperature, and illumination levels yields a rich data set. We use machine learning to develop a model that accurately predicts (within 10%) the time for the diffusion length to decrease to 85% of its initial value. The model takes the environmental conditions and the first few measurements from the PL-PC-Tr or PL-PC-DF experiment as input. Thus, the model provides a framework to interpret the results of accelerated testing of absorber materials. One of the dominant features in the model of degradation for CH 3 NH 3 PbI 3 is the initial rate at which transmittance increase. For devices with opaque contacts, the pixel-averaged rate of change of the intensity in dark-field images can be used in place of transmittance. Results are also presented on full PV devices with in-situ current-voltage (JV) measurements. Here, the data from simultaneous PL-DF-JV under environmental stresses reveal intimate connection between degradation and shunts and provide a framework to extend accelerated testing to devices. Further, the presentation reveals underlying universal behavior in degradation pathways over a broad range of environmental stresses and perovskite compositions.

14 SOLAR ENERGY↗
DOE OSTI2021

Role of Pr-Vacancies and O-Interstitials on the Activity and Stability of (Pr 1−x Ln x ) 2 NiO 4 (Ln = La, Nd, Pm, Sm, Gd, Tb, Dy, and Ho) towards Oxygen Reduction Reactions: A DFT Study

Praseodymium nickelate, Pr 2 NiO 4 (PNO), is a promising electrode to promote oxygen reduction reaction (ORR) in a solid oxide fuel cell, but it exhibits phase transformation during electrochemical operation. The origin of the simultaneous phase transformation and high electrochemical performance remains obscure. We carried out a systematic density functional theory study to elucidate the mechanism for this conjugated phenomenon. Charge, electronic structure, and normal-mode analysis suggest the presence of peroxide. Our study shows that the formation of peroxide (O 2 2– ) is attributed to both oxygen interstitials and Pr vacancies. The peroxide species limits the oxygen ion migration due to the additional energy required to break its O–O bond, which leads to a decrease in ORR activity. Subsequently, we investigate the diffusion paths of Pr-ions while comparing them with those of other Ln 3+ ions (La, Nd, Pm, Sm, Gd, Tb, Dy, and Ho) in PNO. The formation energies for various Ln 3+ cation occupancies are calculated, as well as segregation energies in CeO 2 (111) surfaces. Lastly, criteria for effective Ln 3+ dopants are developed. La, Nd, and Pm are proposed as potential substituents in PNO to obtain a stable structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1996

Emittance Measurements for a Thin Liquid Sheet Flow

The Liquid Sheet Radiator (LSR) is an external flow radiator that uses a triangular-shaped flowing liquid sheet as the radiating surface. It has potentially much lower mass than solid wall radiators such as pumped loop and heat pipe radiators, along with being nearly immune to micrometeoroid penetration. The LSR has an added advantage of simplicity. Surface tension causes a thin (100-300 microns) liquid sheet to coalesce to a point, causing the sheet flow to have a triangular shape. Such a triangular sheet is desirable since it allows for simple collection of the flow at a single point. A major problem for all external flow radiators is the requirement that the working fluid be of very low (approx. 10(sup -8) torr) vapor pressure to keep evaporative losses low. As a result, working fluids are limited to certain oils (such as used in diffusion pumps) for low temperatures (300-400 K) and liquid metals for higher temperatures. Previous research on the LSR has been directed at understanding the fluid mechanics of thin sheet flows and assessing the stability of such flows, especially with regard to the formation of holes in the sheet. Taylor studied extensively the stability of thin liquid sheets both theoretically and experimentally. He showed that thin sheets in a vacuum are stable. The latest research has been directed at determining the emittance of thin sheet flows. The emittance was calculated from spectral transmittance data for the Dow Corning 705 silicone oil. By experimentally setting up a sheet flow, the emittance was also determined as a function of measurable quantities, most importantly, the temperature drop between the top of the sheet and the temperature at the coalescence point of the sheet. Temperature fluctuations upstream of the liquid sheet were a potential problem in the analysis and were investigated.

Englehart, Amy N.↗