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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

A Rayleighian approach for modeling kinetics of ionic transport in polymeric media

Here, we report a theoretical approach for analyzing impedance of ionic liquids (ILs) and charged polymers such as polymerized ionic liquids (PolyILs) within linear response. The approach is based on the Rayleigh dissipation function formalism, which provides a computational framework for a systematic study of various factors, including polymer dynamics, in affecting the impedance. We present an analytical expression for the impedance within linear response by constructing a one-dimensional model for ionic transport in ILs/PolyILs. This expression is used to extract mutual diffusion constants, the length scale of mutual diffusion, and thicknesses of a low-dielectric layer on the electrodes from the broadband dielectric spectroscopy (BDS) measurements done for an IL and three PolyILs. Also, static dielectric permittivities of the IL and the PolyILs are determined. The extracted mutual diffusion constants are compared with the self diffusion constants of ions measured using pulse field gradient (PFG) fluorine nuclear magnetic resonance (NMR). For the first time, excellent agreements between the diffusivities extracted from the Electrode Polarization spectra (EPS) of IL/PolyILs and those measured using the PFG-NMR are found, which allows the use of the EPS and the PFG-NMR techniques in a complimentary manner for a general understanding of the ionic transport.

36 MATERIALS SCIENCE↗
NASA NTRS1979

Convective flow during dendritic growth

A review is presented of the major experimental findings obtained from recent ground-based research conducted under the SPAR program. Measurements of dendritic growth at small supercoolings indicate that below approximately 1.5 K a transition occurs from diffusive control to convective control in succinonitrile, a model system chosen for this study. The key theoretical ideas concerning diffusive and convective heat transport during dendritic growth are discussed, and it is shown that a transition in the transport control should occur when the characteristic length for diffusion becomes larger than the characteristic length for convection. The experimental findings and the theoretical ideas discussed suggest that the Fluid Experiment System could provide appropriate experimental diagnostics for flow field visualization and quantification of the fluid dynamical effects presented here.

Glicksman, M. E.↗
NASA NTRS1960

Experimental Evaluation of Rocket Exhaust Diffusers for Altitude Simulation

An experimental investigation of exhaust diffusers has been conducted to evaluate various methods of minimizing the overall pressure ratio (from chamber to ambient pressure) required to establish and maintain full expansion of the nozzle flow (altitude simulation). Exhaust-diffuser configurations investigated were (1) cylindrical diffusers, (2) diffusers with contraction, and (3) diffusers including a right-angle turn. Cylindrical diffusers were evaluated with primary nozzles of various area ratios and types, as well as two clustered configurations; the other diffusers were evaluated with individual nozzles of constant area ratio and varied type. Air was the working fluid, except for two check points obtained with JP-4 fuel and liquid-oxygen rocket engines and cylindrical diffusers. The minimum length-diameter ratio of cylindrical diffusers was about 6 for minimum pressure-ratio requirements. With cylindrical diffusers of adequate length, the pressure-ratio requirements were primarily a function of the ratio of diffuser to nozzle-throat areas and were essentially independent of primary-nozzle type (including two clustered configurations) or area ratio. The two check points obtained with rocket engines indicated the pressure-ratio requirements at given ratios of diffuser to nozzle-throat areas were lowered, as compared with the requirements with air, as a result of the reduced ratio of specific heats. The minimum length-diameter ratio of the contraction throat of convergent-divergent diffusers was also about 6 for minimum pressure-ratio requirements. With adequate contraction-throat length, the pressure-ratio requirements of such diffusers were appreciably below those of comparable cylindrical diffusers when used with conical and cutoff-isentropic nozzles, but not when used with a bell nozzle. Minimum pressure-ratio requirements of a diffuser including a simple long-radius right-angle turn at maximum diffuser area, obtained with the center of radius of the turn a minimum of 2 diffuser diameters downstream of the nozzle exit, were not appreciably above those of a comparable optimum cylindrical diffuser. A diffuser including a long-radius right-angle turn at a contraction minimum area had somewhat lower pressure-ratio requirements than the aforementioned simple turn.

Sivo, Joseph N.↗
DOE OSTI2018

A theory of growing crystalline nanorods – Mode Ⅰ

Nanorods grow in two possible modes during physical vapor deposition (PVD). In mode I, monolayer surface steps dictate the diameter of nanorods. In mode II, multiple-layer surface steps dictate the diameter, which is the smallest possible under physical vapor deposition [5,10]. Here this paper reports closed-form theories of terrace lengths and nanorod diameter during the growth in mode I, as a function of deposition conditions. The accompanying lattice kinetic Monte Carlo simulations verify these theories. This study reveals that (1) quasi-steady growth exists for each set of nanorod growth conditions, and (2) the characteristic length scales, including terrace lengths and nanorod diameter at the quasi-steady state, depend on the deposition conditions – deposition rate F, substrate temperature T, and incidence angle θ – only as a function of l 2D /tan θ, with l2D = 2($\frac{v_{2D}}{F cos θ}$)$^\frac{1}{3}$ as a diffusion-limited length scale and v 2D as the atomic diffusion jump rate over monolayer surface steps.

42 ENGINEERING↗
NASA NTRS1993

A model for the selective amplification of spatially coherent waves in a centrifugal compressor on the verge of rotating stall

A simple model for the stability zones of a low speed centrifugal compressor is developed, with the goal of understanding the driving mechanism for the changes in stalling behavior predicted for, and observed in, the Purdue Low Speed Centrifugal Research Compressor Facility. To this end, earlier analyses of rotating stall suppression in centrifugal compressors are presented in a reduced form that preserves the essential parameters of the model that affect the stalling behavior of the compressor. The model is then used to illuminate the relationship between compressor geometry, expected mode shape, and regions of amplification for weak waves which are indicative of the susceptibility of the system to rotating stall. The results demonstrate that increasing the stagger angle of the diffuser vanes, and consequently the diffusion path length, results in the compressor moving towards a condition where higher-order spatial modes are excited during stall initiation. Similarly, flow acceleration in the diffuser section caused by an increase in the number of diffuser vanes also results in the excitation of higher modes.

Lawless, Patrick B.↗
DOE OSTI2023

Tensile behavior of diffusion bonded AA6061 - AA6061 with variation in cooling method

Hot isostatically pressed AA6061 cladding is an important structural component of the high performance, Zr-laminated U-10Mo monolithic fuel system for the application in research and test reactors. In this study, the mechanical behavior of two diffusion bonded aluminum alloy, AA6061, was examined using tensile testing. Solid-to-solid diffusion bonding between two pieces of AA6061 was performed by isothermal annealing at 560 °C for 1.5 h, and diffusion couples were subsequently cooled via three different cooling methods: furnace cooling, air cooling, and water quenching. Dog-bone shaped tensile specimens, with 10 mm in gauge length (with diffusion bonded interface in the middle), and 1.5 × 1.5 mm 2 gauge cross-sections, were fabricated from the diffusion bonded AA6061 by electro-discharge machining. Yield strength (% EL at failure) of furnace cooled, air cooled and water quenched tensile specimens determined was 82 ~ 89 MPa (10 ~ 30%), 112 ~ 116 MPa (10 ~ 14%), and 149 ~ 164 MPa (10 ~ 17%), respectively. This variation in mechanical behavior was examined with cooling-rate dependent, concentrated precipitation of Mg 2 Si at the diffusion bonded interface, with due respect for mechanical properties of the AA6061 alloy that inherently vary as a function of cooling rate from 560 °C. Finite element analysis using ABAQUS was employed to augment experimental findings with the appropriate microstructural constituents and alloy properties. Results suggest that the strength is dominated by matrix/bulk properties of AA6061, while ductility is strongly influenced by the cooling method dependent presence of Mg 2 Si precipitates at the interface.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Interplay of molten salt and dopants in tuning the performance of single-crystalline LiNiO 2

Single-crystalline layered oxide cathodes have seen great research interest in recent years. Adoption of single-crystal morphology improves mechanical robustness and eliminates intergranular boundaries, improving the chemical stability of the cathode. Furthermore, single-crystal cathodes also suffer from worsened lithium-diffusion kinetics stemming from the significantly increased diffusion path lengths. Sluggish lithiation kinetics induce concentration gradients within the cathode particle during cell operation, resulting in the accumulation of lattice strain, which deteriorates cell performance. Foreign dopants have been shown to greatly improve ion diffusion in many high-Ni layered oxide cathode systems. In particular, we identify Ti and Te as promising dopants to ameliorate the slow diffusion kinetics. We find that doping 1 mol.% Te into single crystal LiNiO 2 greatly improves Li + diffusivity, as determined through galvanostatic intermittent titration technique. Further incorporating 2 mol.% Al and pairing with lithium-metal anode in a localized high concentration electrolyte (LHCE) delivers 206 mA h g -1 at C/3 rate and retains 94% capacity after 100 cycles in Li metal half cells. By addressing kinetically mediated degradation with Te doping, and surface-based degradation with Al and LHCE, the cathode experiences very little polarization and overpotential growth, enabling stable cycling with high accessible capacity.

25 ENERGY STORAGE↗
DOE OSTI2026

Development Fiber Optic Distributed System for Direct Detection of Subsurface Gases Leakages

Carbon, natural gas, and hydrogen gas storage is an emerging solution to safeguard us against pollution, support goals of negative carbon emission, and protect sources of renewable energy. Properly constructed storage wells provide a virtually impervious barrier to any unintended subsurface transmission. The ability to ensure the long-term integrity of such wells is vital to the success of any storage operation and be successful in the public eyes. Therefore, robust monitoring of any gas migration into the subsurface is highly sought. A fiber-optic distributed chemical sensor (DCS) enables monitoring of long-term well integrity along its depth, ensuring the success of any storage operation and bolsters public acceptance of the safety of the reservoir via leak early detection. The same technique can be applied to gas monitoring in pipeline networks and nuclear stockpile monitoring applications. Fiber based Raman spectroscopy enables DCS, as optical fibers can be deployed in virtually any environment and relay spectroscopic information over long distances back to the user. Hollow core fibers (HCF) make excellent DCSs as the air core of the fiber allows gas from the environment to diffuse into the core, which interacts with the laser signal that is carried in the air core. This work builds upon the previous LDRD project, Fiber Optic System for Direct Detection of Carbon Dioxide Leakage in Carbon Storage Wells (21-FS-003), in which the feasibility of Raman spectroscopy detection of Carbon Dioxide (CO2) in HCF detection was demonstrated. We mitigated the risk of this DCS technology by establishing and completing five objectives. The first objective was to model and optically characterize HCF uptake of CO2, establishing the relationship between HCF length, gas diffusion time, detectable gas concentration, and measured Raman intensity. In objective two, we developed a fiber core drilling recipe to enable additional diffusion ports in the fiber core and established a method for maintaining fiber strength and integrity post drilling. Objective three characterized the drilled fibers against the undrilled fibers, establishing the differences in the gas mechanics and optical properties and provided parameters to iterate the drilling process. In objective four, a fusion splicing technique was developed to join the HCF to conventional single-mode fibers, localizing the gas detection point at the drilled HCF hole, emulating a DCS. Lastly, objective five was the testing of the sensor in Edgar Mines at Colorado School of Mines on a CO2 pipeline with a simulated leak, to showcase the ability to detect CO2 leaks. This capstone result showed CO2 leak detection in < 10 minutes, raising the technology readiness level of HCF segments as deployable DCS.

organic↗
NASA NTRS2000

Diffusion Driven Combustion Waves in Porous Media

Filtration of gas containing oxidizer, to the reaction zone in a porous medium, due, e.g., to a buoyancy force or to an external pressure gradient, leads to the propagation of Filtration combustion (FC) waves. The exothermic reaction occurs between the fuel component of the solid matrix and the oxidizer. In this paper, we analyze the ability of a reaction wave to propagate in a porous medium without the aid of filtration. We find that one possible mechanism of propagation is that the wave is driven by diffusion of oxidizer from the environment. The solution of the combustion problem describing diffusion driven waves is similar to the solution of the Stefan problem describing the propagation of phase transition waves, in that the temperature on the interface between the burned and unburned regions is constant, the combustion wave is described by a similarity solution which is a function of the similarity variable x/square root of(t) and the wave velocity decays as 1/square root of(t). The difference between the two problems is that in the combustion problem the temperature is not prescribed, but rather, is determined as part of the solution. We will show that the length of samples in which such self-sustained combustion waves can occur, must exceed a critical value which strongly depends on the combustion temperature T(sub b). Smaller values of T(sub b) require longer sample lengths for diffusion driven combustion waves to exist. Because of their relatively small velocity, diffusion driven waves are considered to be relevant for the case of low heat losses, which occur for large diameter samples or in microgravity conditions, Another possible mechanism of porous medium combustion describes waves which propagate by consuming the oxidizer initially stored in the pores of the sample. This occurs for abnormally high pressure and gas density. In this case, uniformly propagating planar waves, which are kinetically controlled, can propagate, Diffusion of oxidizer decreases the wave velocity. In addition to the reaction and diffusion layers, the uniformly propagating wave structure includes a layer with a pressure gradient, where the gas motion is induced by the production or consumption of the gas in the reaction as well as by thermal expansion of the gas. The width of this zone determines the scale of the combustion wave in the porous medium.

Aldushin, A. P.↗
DOE OSTI2017

Lithium deintercalation/intercalation processes in cathode materials based on lithium iron phosphate with the olivine structure

This review describes the current state of the studies of lithium deintercalation/intercalation processes in cathode materials based on lithium iron phosphate with olivine structure. The limiting factors of LiFePO{sub 4} charge/discharge processes, as well as the main methods for their acceleration are considered. A partial replacement of iron cations in the structure improves the electrochemical characteristics of the cathode materials, including the discharge capacity, charge/discharge rate, and, in some cases, changes the charge/discharge mechanism. The use of nanoscale phosphate LiFePO{sub 4} with the olivine structure considerably increases the charge/discharge rate of cathode materials based on it by reducing the diffusion path length. Methods for LiFePO{sub 4} surface modification are considered. Particular attention is paid to the development of composite materials with electron-conducting additives. Combining of various approaches to the modification of the material in question makes it possible to obtain materials with a discharge capacity close to the theoretical value (170 mA h g{sup –1}) at a low charge/discharge rate and to considerably increase its capacity at high charge and discharge currents.

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

Layered oxide cathode-inspired secondary hard carbon microsphere anode material for high-power and long-life rechargeable batteries

A new anode material that will provide lithium ion (Li-ion) batteries with high energy and power density is urgently needed. In this work, a layered oxide cathode-inspired secondary hard carbon microsphere (CMS) anode material was designed, and exhibited excellent rate performance and long cyclability. Polyacrylonitrile/poly(styrene-co-acrylonitrile) (PAN/SAN) compositions displaying the meatball-like shape of the PAN precursor were carbonized into CMSs having turbostratic microstructures. The CMS carbonized at 1,000°C (CMS1000) displayed high specific capacity at the highest current density of 1,000mAg -1 , i.e., 77.6 % of its average charge capacity at 100 mA g -1 , and considerable cycling retention after 500 cycles, i.e., 83.8 % of the specific capacity at cycle 25. In conclusion, our work demonstrates that the design of new anode materials is a fruitful route to improve commercial Li-ion batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Differential multi-probe thermal transport measurements of multi-walled carbon nanotubes grown by chemical vapor deposition

Carbon nanotubes (CNTs) are quasi-one dimensional nanostructures that display both high thermal conductivity for potential thermal management applications and intriguing low-dimensional phonon transport phenomena. In comparison to the advances made in the theoretical calculation of the lattice thermal conductivity of CNTs, thermal transport measurements of CNTs have been limited by either the poor temperature sensitivity of Raman thermometry technique or the presence of contact thermal resistance errors in sensitive two-probe resistance thermometry measurements. Here we report advances in a multi-probe measurement of the intrinsic thermal conductivity of individual multi-walled CNT samples that are transferred from the growth substrate onto the measurement device. The sample-thermometer thermal interface resistance is directly measured by this multi-probe method and used to model the temperature distribution along the contacted sample segment. The detailed temperature profile helps to eliminate the contact thermal resistance error in the obtained thermal conductivity of the suspended sample segment. A differential electro-thermal bridge measurement method is established to enhance the signal-to-noise ratio and reduce the measurement uncertainty by over 40%. The obtained thermal resistances of multiple suspended segments of the same MWCNT samples increase nearly linearly with increasing length, revealing diffusive phonon transport as a result of phonon-defect scattering in these MWCNT samples. The measured thermal conductivity increases with temperature and reaches up to 390 ± 20 W m –1 K –1 at room temperature for a 9-walled MWCNT. In conclusion, theoretical analysis of the measurement results suggests submicron phonon mean free paths due to extrinsic phonon scattering by extended defects such as grain boundaries. The obtained thermal conductivity is decreased by a factor of 3 upon electron beam damage and surface contamination of the CNT sample.

42 ENGINEERING↗
DOE OSTI2020

Electro-assisted regeneration of pH-sensitive ion exchangers for sustainable phosphate removal and recovery

Removal and recovery of phosphate from wastewater can minimize deleterious environmental impacts and supplement fertilizer supply. Hybrid anion exchangers (HAIX, with doped ferric oxide nanoparticles (FeOnp)) can remove phosphate from complex wastewaters and recover concentrated phosphate solutions. Here, we integrate HAIX with a weak acid cation exchanger (WAC) to enrich phosphate and calcium in mild regenerants and precipitate both elements for recovery. We demonstrated an electro-assisted regeneration approach to avoid strong acid and base input. Based on demonstrated pH sensitivities of both materials, electrochemically produced mild electrolytes (pH 3 and pH 11), which are 100–1000 times less concentrated than typical regenerants, preserved 80% WAC and 50% HAIX capacities over five batch adsorption-regeneration cycles. FeOnp in HAIX facilitated regeneration due to pH sensitivity and their likely distribution on the resin particle surface, which reduced intraparticle diffusion path length. In column tests, repeatable phosphate removal (> 95%) from synthetic wastewater (3 mg P/L) was achieved with 20 kWh/kg P specific energy consumption. After removal, a similar 50% HAIX regeneration efficiency as batch experiments was achieved. In spent regenerant, more than 95% phosphorus was recovered as hydroxyapatite. This novel approach enhances ion exchange by minimizing chemical inputs.

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

All-Solid-State Batteries Using Rationally Designed Garnet Electrolyte Frameworks

Functioning bulk-type all-solid-state batteries in a practical form factor with composite positive electrodes, using Al-substituted Li 7 La 3 Zr 2 O 12 (LLZO) as the solid electrolyte, have been demonstrated for the first time. The devices incorporate bilayers composed of dense LLZO membranes and porous LLZO scaffolds infiltrated with LiNi 0.6 Mn 0.2 Co 0.2 O 2 and other components as positive electrodes, combined with lithium anodes. The porous scaffolds are prepared using an easily scaled freeze-tape-casting method. The unidirectional pores of the scaffold facilitate infiltration of cathode components and shorten lithium ion diffusion path lengths, while the addition of a soft ionically conductive solid to the scaffold ensures good contact among the components.

25 ENERGY STORAGE↗
DOE OSTI2017

Operando Grazing Incidence Small-Angle X-ray Scattering/X-ray Diffraction of Model Ordered Mesoporous Lithium-Ion Battery Anodes

Emergent lithium-ion (Li + ) batteries commonly rely on nanostructuring of the active electrode materials to decrease the Li + ion diffusion path length and to accommodate the strains associated with the insertion and de-insertion of Li + , but in many cases these nanostructures evolve during electrochemical charging–discharging. This change in the nanostructure can adversely impact performance, and challenges remain regarding how to control these changes from the perspective of morphological design. In order to address these questions, operando grazing-incidence small-angle X-ray scattering and X-ray diffraction (GISAXS/GIXD) were used to assess the structural evolution of a family of model ordered mesoporous NiCo 2 O 4 anode films during battery operation. The pore dimensions were systematically varied and appear to impact the stability of the ordered nanostructure during the cycling. For the anodes with small mesopores (≈9 nm), the ordered nanostructure collapses during the first two charge–discharge cycles, as determined from GISAXS. This collapse is accompanied by irreversible Li-ion insertion within the oxide framework, determined from GIXD and irreversible capacity loss. Anodes with larger ordered mesopores (17–28 nm) mostly maintained their nanostructure through the first two cycles with reversible Li-ion insertion. During the second cycle, there was a small additional deformation of the mesostructure. Furthermore, this preservation of the ordered structure lead to significant improvement in capacity retention during these first two cycles; but, a gradual loss in the ordered nanostructure from continuing deformation of the ordered structure during additional charge–discharge cycles leads to capacity decay in battery performance. We translate these multiscale operando measurements provide insight into how changes at the atomic scale (lithium insertion and de-insertion) to the nanostructure during battery operation. Moreover, small changes in the nanostructure can build up to significant morphological transformations that adversely impact battery performance through multiple charge–discharge cycles.

25 ENERGY STORAGE↗
DOE OSTI2017

The physics of long- and intermediate-wavelength asymmetries of the hot spot: Compression hydrodynamics and energetics

To achieve ignition with inertial confinement fusion (ICF), it is important to under- stand the effect of asymmetries on the hydrodynamics and energetics of the compres- sion. This paper describes a theoretical model for the compression of distorted hot spots, and quantitative estimates using hydrodynamic simulations. The asymmetries are categorized into low (Ι < 6) and intermediate (Ι < A < 40) modes by comparison of the wavelength with the thermal-diffusion scale length. Long-wavelength modes introduce substantial nonradial motion, whereas intermediate-wavelength modes in- volve more cooling by thermal ablation. We discover that for distorted hot spots, the measured neutron-averaged properties can be very different from the real hydro- dynamic conditions. This is because mass ablation driven my thermal conduction introduces flows in the Rayleigh–Taylor bubbles, this results in pressure variation, in addition to temperature variation between the bubbles and the neutron-producing region (~1 keV for intermediate modes). The differences are less pronounced for long-wavelength asymmetries since the bubbles are relatively hot and sustain fusion reactions. The yield degradation$-$ with respect to the symmetric$-$ results primarily from a reduction in the hot-spot pressure for low modes and from a reduction in burn volume for intermediate modes. It is shown that the degradation in internal energy of the hot-spot is equivalent for both categories, and is equal to the total residual energy in the shell including the bubbles. This quantity is correlated with the shell residual kinetic energy for low-modes, and includes the kinetic energy in the bubbles for mid-modes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Structural imaging of nanoscale phonon transport in ferroelectrics excited by metamaterial-enhanced terahertz fields

Nanoscale phonon transport is a key process that governs thermal conduction in a wide range of materials and devices. Creating controlled phonon populations by resonant excitation at terahertz (THz) frequencies can drastically change the characteristics of nanoscale thermal transport and allow a direct real-space characterization of phonon mean-free paths. Using metamaterial-enhanced terahertz excitation, we tailored a phononic excitation by selectively populating low-frequency phonons within a nanoscale volume in a ferroelectric BaTiO 3 thin film. Real-space time-resolved x-ray diffraction microscopy following THz excitation reveals ballistic phonon transport over a distance of hundreds of nm, two orders of magnitude longer than the averaged phonon mean-free path in BaTiO 3 . On longer length scales, diffusive phonon transport dominates the recovery of the transient strain response, largely due to heat conduction into the substrate. The measured real-space phonon transport can be directly compared with the phonon mean-free path as predicted by molecular dynamics modeling. In conclusion, this time-resolved real-space visualization of THz-matter interactions opens up opportunities to engineer and image nanoscale transient structural states with new functionalities.

36 MATERIALS SCIENCE↗