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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

Pressure-strain-rate events in homogeneous turbulent shear flow

A detailed study of the intercomponent energy transfer processes by the pressure-strain-rate in homogeneous turbulent shear flow is presented. Probability density functions (pdf's) and contour plots of the rapid and slow pressure-strain-rate show that the energy transfer processes are extremely peaky, with high-magnitude events dominating low-magnitude fluctuations, as reflected by very high flatness factors of the pressure-strain-rate. A concept of the energy transfer class was applied to investigate details of the direction as well as magnitude of the energy transfer processes. In incompressible flow, six disjoint energy transfer classes exist. Examination of contours in instantaneous fields, pdf's and weighted pdf's of the pressure-strain-rate indicates that in the low magnitude regions all six classes play an important role, but in the high magnitude regions four classes of transfer processes, dominate. The contribution to the average slow pressure-strain-rate from the high magnitude fluctuations is only 50 percent or less. The relative significance of high and low magnitude transfer events is discussed.

Brasseur, James G.↗
DOE OSTI2022

Coupled charge and energy transfer dynamics in light harvesting complexes from a hybrid hierarchical equations of motion approach

Here, we describe a method for simulating exciton dynamics in protein–pigment complexes, including effects from charge transfer as well as fluorescence. The method combines the hierarchical equations of motion, which are used to describe quantum dynamics of excitons, and the Nakajima–Zwanzig quantum master equation, which is used to describe slower charge transfer processes. We study the charge transfer quenching in light harvesting complex II, a protein postulated to control non-photochemical quenching in many plant species. Using our hybrid approach, we find good agreement between our calculation and experimental measurements of the excitation lifetime. Furthermore, our calculations reveal that the exciton energy funnel plays an important role in determining quenching efficiency, a conclusion we expect to extend to other proteins that perform protective excitation quenching. This also highlights the need for simulation methods that properly account for the interplay of exciton dynamics and charge transfer processes.

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

Development of a low-cost, modified resin transfer molding process using elastomeric tooling and automated preform fabrication

This paper describes the design and process development of low-cost structural parts made by a modified resin transfer molding process. Innovative application of elastomeric tooling to increase laminate fiber volume and automated forming of fiber preforms are discussed, as applied to fabrication of a representative section of a cruise missile fuselage.

Doane, William J.↗
DOE OSTI2025

The influence of protein electrostatics on potential inversion in flavoproteins

Biology uses relatively few electron-transfer cofactors, tuning their potentials, electronic couplings, and reorganization energies to carry out the required chemistry. It is remarkable that the potential ordering of two-electron transfer active flavins can be normal (first oxidation at low potential and second oxidation at high potential) or inverted, and the gap between the potentials can be as large as one volt. Analysis based on structural bioinformatics and electrostatics indicates that the ordering of the flavin redox potential is influenced by protein electrostatics. In all 36 flavoproteins examined, the introduction of a negative charge near the flavin in silico increases the extent of potential inversion (by lowering the electrochemical potential of the second electron-transfer step); the introduction of a positive charge near the flavin favors normally ordered potentials. We also find that the addition of positive charges increases the electrochemical potential for the naturally occurring one-electron transition in flavodoxins (between deprotonated hydroquinone and neutral semiquinone) and also increases the second one-electron transition in bifurcating flavins (between anionic semiquinone and fully oxidized flavin). Finally, we find that proximity of a proton acceptor, notably conserved arginine, supports proton-coupled electron transfer because it may act as a proton acceptor, promoting potential inversion. This key arginine residue may enable two-electron transfer chemistry by promoting the proton-coupled electron transfer process over the pure electron transfer process, suggesting how a protein's flavin environment may influence one- or two-electron chemistry in flavoproteins.

Singh, Niven [Duke Univ., Durham, NC (United State↗
NASA NTRS2001

Matrix Characterization and Development for the Vacuum Assisted Resin Transfer Molding Process

The curing kinetics and viscosity of an epoxy resin system, SI-ZG-5A, have been characterized for application in the vacuum assisted resin transfer molding (VARTM) process. Impregnation of a typical carbon fiber perform provided the test bed for the characterization. Process simulations were carried out using the process model, COMPRO, to examine heat transfer and curing kinetics for a fully impregnated panel, neglecting resin flow. The predicted viscosity profile and final degree of cure were found to be in good agreement with experimental observations.

Grimsley, B. W.↗
DOE OSTI2024

Surface Ligand Effects on Energetics, Charge Transfer, and Stability at Interfaces Between Metal Halide Perovskites and Organic Semiconductors

Chemistry at organic-inorganic interfaces plays a major role in determining the performance of electronic and optoelectronic devices. Understanding, developing, and using surface chemistry is thus essential for creating improved and novel materials and devices. Organic metal halide perovskites (HPs) are inexpensive semiconductors that can be printed from solution to make efficient photovoltaic cells for harvesting solar energy, light emitting diodes for energy efficient solid-state lighting applications, solid-state lasers, and even spin selective devices with applications to quantum computing. To realize the potential of HPs, their surface chemistry and interfacial properties must be better understood and appropriately adjusted to meet the needs of the targeted application. For example, surface chemistry influences non-radiative recombination, which influences the efficiency of light emission and solar energy conversion, charge-carrier injection and extraction from optoelectronic devices, and material and device stability. This research project centered around determining how the surface chemistry of HP thin films and nanoparticles influences optical properties, charge transfer processes, energetics, and stability. In this project we characterized ligand binding strengths to HPs; determined how surface ligand chemistry influences photoluminescence properties, energetics, and charge transfer processes; determined that surface ligands often penetrate into HPs and uncovered methods of reducing surface ligand penetration through structural modifications; and discovered how interfacial energetics impact charge transfer processes and photovoltaic performance parameters. Overall, this research established important insights into how surface ligands interact with HPs to influence their optical properties, electronic properties, stability, and device level performance.

14 SOLAR ENERGY↗
DOE OSTI2024

Triplet Exciton Sensitization of Silicon Mediated by Defect States in Hafnium Oxynitride

Singlet exciton fission has the potential to increase the efficiency of crystalline silicon solar cells beyond the conventional single junction limit. Perhaps the largest obstacle to achieving this enhancement is uncertainty about energy coupling mechanisms at the interfaces between silicon and exciton fission materials such as tetracene. Here, the previously reported silicon‐hafnium oxynitride‐tetracene structure is studied and a combination of magnetic‐field‐dependent silicon photoluminescence measurements and density functional theory calculations is used to probe the influence of the interlayer composition on the triplet transfer process across the hafnium oxynitride interlayer. It is found that hafnium oxide interlayers do not show triplet exciton sensitization of silicon, and that nitrogen content in hafnium oxynitride layers is correlated with enhanced sensitization. Calculation results reveal that defects in hafnium oxynitride interlayers with higher nitrogen content introduce states close to the band‐edge of silicon, which can mediate the triplet exciton transfer process. Some defects introduce additional deleterious mid‐gap states, which may explain observed silicon photoluminescence quenching. These results show that band‐edge states can mediate the triplet exciton transfer process, potentially through a sequential charge transfer mechanism.

36 MATERIALS SCIENCE↗
NASA NTRS2006

Miniature Distillation Column for Producing LOX From Air

The figure shows components of a distillation column intended for use as part of a system that produces high-purity liquid oxygen (LOX) from air by distillation. (The column could be easily modified to produce high-purity liquid nitrogen.) Whereas typical industrial distillation columns for producing high-purity liquid oxygen and/or nitrogen are hundreds of feet tall, this distillation column is less than 3 ft (less than about 0.9 m) tall. This column was developed to trickle-charge a LOX-based emergency oxygen system (EOS) for a large commercial aircraft. A description of the industrial production of liquid oxygen and liquid nitrogen by distillation is prerequisite to a meaningful description of the present miniaturized distillation column. Typically, such industrial production takes place in a chemical processing plant in which large quantities of high-pressure air are expanded in a turboexpander to (1) recover a portion of the electrical power required to compress the air and (2) partially liquefy the air. The resulting two-phase flow of air is sent to the middle of a distillation column. The liquid phase is oxygen-rich, and its oxygen purity increases as it flows down the column. The vapor phase is nitrogen-rich and its nitrogen purity increases as it flows up the column. A heater or heat exchanger, commonly denoted a reboiler, is at the bottom of the column. The reboiler is so named because its role is to reboil some of the liquid oxygen collected at the bottom of the column to provide a flow of oxygen-rich vapor. As the oxygen-rich vapor flows up the column, it absorbs the nitrogen in the down-flowing liquid by mass transfer. Once the vapor leaves the lower portion of the column, it interacts with down-flowing nitrogen liquid that has been condensed in a heat exchanger, commonly denoted a condenser, at the top of the column. Liquid oxygen and liquid nitrogen products are obtained by draining some of the purified product at the bottom and top of the column, respectively. Because distillation is a mass-transfer process, the purity of the product(s) can be increased by increasing the effectiveness of the mass-transfer process (increasing the mass-transfer coefficient) and/or by increasing the available surface area for mass transfer through increased column height. The diameter of a distillation column is fixed by pressure-drop and mass-flow requirements. The approach taken in designing the present distillation column to be short yet capable of yielding a product of acceptably high purity was to pay careful attention to design details that affect mass-transfer processes.

Rozzi, Jay C.↗
DOE OSTI2022

Realizing Two-Electron Transfer in Ni(OH) 2 Nanosheets for Energy Storage

The theoretical capacity of a given electrode material is ultimately determined by the number of electrons transferred in each redox center. The design of multi-electron transfer processes could break through the limitation of one–electron transfer and multiply the total capacity, but is difficult to achieve because multiple electron transfer processes are generally thermodynamically and kinetically more complex. In this work, we report the discovery of two-electron transfer in monolayer Ni(OH) 2 nanosheets, which contrasts with the traditional one-electron transfer found in multilayer materials. The first-principles calculations predict that the first oxidation process from Ni 2+ →Ni 3+ occurs easily, whereas the second electron transfer from Ni 3+ →Ni 4+ is strongly hindered in multilayer materials by both the interlayer hydrogen bonds and the domain H structure induced by the Jahn-Teller distortion of the Ni 3+ (t 2g 6 e g 1 ) centered octahedra. In contrast, the second electron transfer can easily occur in monolayers because all H’s are fully exposed. Experimentally, the as-prepared monolayer is found to deliver an exceptional redox capacity of ~ 576 mAh/g, nearly two times the theoretical capacity of one-electron processes. In-situ experiments demonstrate that monolayer Ni(OH) 2 can transfer two electrons and mostly transform to Ni 4+ in the charging process, while bulk Ni(OH) 2 can be partially transformed . Our work reveals a new redox reaction mechanism in atomically thin Ni(OH) 2 nanosheets, and suggests a promising path towards tuning the electron transfer numbers to multiply the capacity of the relevant energy storage materials.

25 ENERGY STORAGE↗
NASA NTRS1995

Energy transfer in compressible turbulence

This letter investigates the compressible energy transfer process. We extend a methodology developed originally for incompressible turbulence and use databases from numerical simulations of a weak compressible turbulence based on Eddy-Damped-Quasi-Normal-Markovian (EDQNM) closure. In order to analyze the compressible mode directly, the well known Helmholtz decomposition is used. While the compressible component has very little influence on the solenoidal part, we found that almost all of the compressible turbulence energy is received from its solenoidal counterpart. We focus on the most fundamental building block of the energy transfer process, the triadic interactions. This analysis leads us to conclude that, at low turbulent Mach number, the compressible energy transfer process is dominated by a local radiative transfer (absorption) in both inertial and energy containing ranges.

Bataille, Francoise↗
NASA NTRS1979

Spinoff 1979

Technology is knowledge, the technical "know-how" employed by a society to produce things that improve the quality of human life. Like other forms of knowledge, it is transferable; once developed, technology can be applied to uses different-and often remote-from the original application. Thus, the technology that NASA has developed in more than two decades of space and aeronautical research constitutes a valuable national resource, a bank of knowledge available for secondary utilization, or "spinoff." NASA mainline programs, by their challenging nature, are particularly demanding of technological advance; meeting their goals has forced extraordinary advancements in virtually every scientific and technological discipline. For that reason, the wealth of aerospace-generated knowledge available for transfer is exceptionally diverse, and much of it is readily applicable to secondary use over a broad spectrum of public needs and conveniences. Through its Congressionally mandated Technology Utilization Program, NASA seeks to promote wider use of this technological resource. The program provides a link between the technology bank and those in either the private or public sectors who might be able to re-use the technology productively. Its aim is to accelerate the transfer process, to bring to the marketplace sooner those spinoffs which might eventually occur in the normal course of events, and to gain thereby more immediate economic benefit in terms of new products and new jobs. The program has been remarkably successful. Since its inception 17 years ago, thousands of spinoff products and processes have emerged. Some of these innovations bring only moderate increments of economic gain or lifestyle improvement, but many others amount to significant public benefits, with economic values often running to millions of dollars. Collectively, spinoffs provide a substantial bonus return on the funds invested in aerospace research. This publication is intended to increase public awareness of the resource that is NASA's technology bank and its potential for further public benefit. It is devoted primarily to the NASA technology transfer process, but in the interests of perspective it also describes related areas of NASA endeavor. Section 1 consists of a resume of NASA's current mainline programs. These programs are producing direct public benefit through direct application of technology; at the same time, they are contributing to indirect benefit-spinoff-by generating new technology which may find secondary application in the future. Section 2 is the focal point of this volume. It contains a representative sampling of spinoff products and processes employed in various avenues of everyday life, and it describes briefly the NASA technology from which these transfers derived. Section 3 details the mechanisms of the technology transfer process, including the means by which NASA seeks to stimulate technology utilization. Also described are NASA's activities in a related area of technology transfer: provision of assistance to agencies interested in exploiting the benefit potential of satellite remote sensing technology.

Haggerty, James J.↗
DOE OSTI2021

Influence of Ligand Structure on Excited State Surface Chemistry of Lead Sulfide Quantum Dots

The ligand-nanocrystal boundaries of colloidal quantum dots (QDs) mediate the primary energy and electron transfer processes that underpin photochemical and photocatalytic transformations at their surfaces. We use mid-infrared transient absorption spectroscopy to reveal the influence that ligand structure and bonding to nanocrystal surfaces have on the changes of the excited state surface chemistry of this boundary in PbS QDs and the corresponding impact on charge transfer processes between nanocrystals. We demonstrate that oleate ligands undergo marked changes in their bonding to surfaces in the excitonic excited states of the nanocrystals, indicating that oleate passivated PbS surfaces undergo significant structural changes following photoexcitation. These changes can impact the surface mobility of the ligands and the ability of redox shuttles to approach the nanocrystal surfaces to undergo charge transfer in photocatalytic reactions. In contrast, markedly different transient vibrational features are observed in iodide/mercaptoproprionic acid passivated PbS QD films that result from charge transfer between neighboring nanocrystals and localization of holes at the nanocrystal surfaces near MPA ligands. This ability to distinguish the influence that excitonic excited states vs charge transfer processes have on the surface chemistry of the ligand-nanocrystal boundary lays the groundwork for exploration of how this boundary can be understood and controlled for the design of nanocrystalline materials tailored for specific applications in solar energy harvesting and photocatalytic reactions.

36 MATERIALS SCIENCE↗
NASA NTRS1995

Verification of a three-dimensional resin transfer molding process simulation model

Experimental evidence was obtained to complete the verification of the parameters needed for input to a three-dimensional finite element model simulating the resin flow and cure through an orthotropic fabric preform. The material characterizations completed include resin kinetics and viscosity models, as well as preform permeability and compaction models. The steady-state and advancing front permeability measurement methods are compared. The results indicate that both methods yield similar permeabilities for a plain weave, bi-axial fiberglass fabric. Also, a method to determine principal directions and permeabilities is discussed and results are shown for a multi-axial warp knit preform. The flow of resin through a blade-stiffened preform was modeled and experiments were completed to verify the results. The predicted inlet pressure was approximately 65% of the measured value. A parametric study was performed to explain differences in measured and predicted flow front advancement and inlet pressures. Furthermore, PR-500 epoxy resin/IM7 8HS carbon fabric flat panels were fabricated by the Resin Transfer Molding process. Tests were completed utilizing both perimeter injection and center-port injection as resin inlet boundary conditions. The mold was instrumented with FDEMS sensors, pressure transducers, and thermocouples to monitor the process conditions. Results include a comparison of predicted and measured inlet pressures and flow front position. For the perimeter injection case, the measured inlet pressure and flow front results compared well to the predicted results. The results of the center-port injection case showed that the predicted inlet pressure was approximately 50% of the measured inlet pressure. Also, measured flow front position data did not agree well with the predicted results. Possible reasons for error include fiber deformation at the resin inlet and a lag in FDEMS sensor wet-out due to low mold pressures.

Fingerson, John C.↗
DOE OSTI2025

Characterizing leaf-scale fluorescence with spectral invariants

Sun-induced chlorophyll fluorescence (SIF) is increasingly recognized as a non-destructive probe for tracking terrestrial photosynthesis. Emerging developments in spectral invariants theory provide an innovative and efficient approach for representing SIF radiative transfer processes at the canopy scale. However, modeling leaf-scale fluorescence based on the spectral invariants properties (SIP) remains underexplored. In this study, the spectral invariants theory is employed for the first time to model the leaf-scale total, backward and forward fluorescence (leaf-SIP SIF). The leaf-SIP SIF model separates the leaf-scale radiative transfer process into two distinct components: the wavelength-dependent one associated with leaf biochemical properties, and the wavelength-independent component linked to leaf structural characteristics. The leaf structure-related effects are characterized by two spectrally invariant parameters: the photon recollision probability (p) and the scattering asymmetry parameter (q), which are parameterized using the directly measurable leaf dry matter. Evaluation against field measurements shows that the proposed leaf-SIP SIF model has a good performance, with coefficient of determination (R 2 ) of 0.89, 0.89, 0.90 and root mean squared errors (RMSE) of 1.28, 0.69, 0.74 Wm -2 µm -1 sr -1 , respectively for the total, backward, and forward fluorescence (660–800 nm). The leaf-SIP SIF model with a more concise formulation demonstrates comparable performance with the widely used Fluspect model. Further, the leaf-SIP SIF model provides a simple and efficient approach for simulating leaf-scale fluorescence, with the potential to be integrated into a unified SIP-based model framework for simulating the radiative transfer processes across the soil-leaf-canopy-atmosphere continuum.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1988

The determination of energy transfer rates in the Ho:Tm:Cr:YAG laser material

Energy transfer processes occurring between atomic, ionic, or molecular systems are very widespread in nature. The applications of such processes range form radiation physics and chemistry to biology. In the field of laser physics, energy transfer processes have been used to extend the lasing range, increase the output efficiency, and influence the spectral and temporal characteristics of the output pulses of energy transfer dye lasers or solid-state laser materials. Thus in the development of solid state lasers, it is important to investigate the basic energy transfer (ET) mechanisms and processes in order to gain detailed knowledge so that successful technical utilization can be achieved. The aim of the present research is to measure the ET rate from a given manifold associated with the chromium sensitizer atom to a given manifold in the holmium activator atom via the thulium transfer atom, in the Ho:Cr:YAG laser material.

Koker, Edmond B.↗
NASA NTRS1992

Technology transfer within NASA

Viewgraphs on technology transfer within NASA are provided. Assessment of technology transfer process, technology being transfered, issues and barriers, and observations and suggestions are addressed. Topics covered include: technology transfer within an organization (and across organization lines/codes) and space science/instrument technology and the role of universities in the technology development/transfer process.

St.cyr, William↗
NASA NTRS2001

Flow and Compaction During the Vacuum Assisted Resin Transfer Molding Process

The flow of an epoxy resin and compaction behavior of carbon fiber preform during vacuum- assisted resin transfer molding (VARTM) infiltration was measured using an instrumented tool. Composite panels were fabricated by the VARTM process using SAERTEX(R)2 multi-axial non- crimp carbon fiber fabric and the A.T.A.R.D. SI-ZG-5A epoxy resin. Resin pressure and preform thickness variation was measured during infiltration. The effects of the resin on the compaction behavior of the preform were measured. The local preform compaction during the infiltration is a combination of wetting and spring-back deformations. Flow front position computed by the 3DINFIL model was compared with the experimental data.

Grimsley, Brian W.↗
DOE OSTI2025

Orientation-Driven Chirality Funnels in Chiral Low-Dimensional Lead-Halide Perovskite Heterostructures

Chiral hybrid metal-halide perovskites show low-symmetry crystal structures, large Rashba splitting, spin-filtering, and strong chiroptical activity. Circular dichroism and circularly polarized photoluminescence have been investigated in chiral perovskites with increasingly distorted chiral structures. Here, we report the fabrication of chiral (R/S)-EBAPbI3 (EBA = α-ethylbenzylamine) single crystals, which possess highly distorted octahedral structures with a high angle variance value of ∼68 degree2. Using control in the fabrication conditions, we transfer chiral single crystals to thin films and achieve different crystal orientation preferences that induce tunable chiroptical properties to their heterostructures with PbI2 nanodomains, which we characterize with in situ X-ray diffraction and grazing-incidence wide-angle X-ray scattering measurements. Using transient chiroptical spectroscopies, we resolve photoexcited charge carrier dynamics and chirality transfer processes in such heterostructures down to cryogenic temperatures. We observe rapid carrier transfer along the in-plane (002) facets in chiral perovskite phases to PbI2 nanostructures within the initial few picoseconds, while carrier transfer along the out-of-plane (002) facets occurs at a slower rate. This fast transfer process leads to high photoluminescence intensities and large degrees of circular polarization in the emission from PbI2 nanodomains at cryogenic temperatures. Our findings report a multidimensional chiral-achiral heterostructure which takes advantage of controllable chirality transfer and offers new routes for future spintronic and chiroptical applications.

Liu, Shangpu↗