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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Robust estimation of charge carrier diffusivity using transient photoluminescence microscopy

Transient microscopy has emerged as a powerful tool for imaging the diffusion of excitons and free charge carriers in optoelectronic materials. In many excitonic materials, extraction of diffusion coefficients can be simplified because of the linear relationship between signal intensity and local excited state population. However, in materials where transport is dominated by free charge carriers, extracting diffusivities accurately from multidimensional data is complicated by the nonlinear dependence of the measured signal on the local charge carrier density. To obtain accurate estimates of charge carrier diffusivity from transient microscopy data, statistically robust fitting algorithms coupled to efficient 3D numerical solvers that faithfully relate local carrier dynamics to raw experimental measurables are sometimes needed. Here, we provide a detailed numerical framework for modeling the spatiotemporal dynamics of free charge carriers in bulk semiconductors with significant solving speed reduction and for simulating the corresponding transient photoluminescence microscopy data. To demonstrate the utility of this approach, we apply a fitting algorithm using a Markov chain Monte Carlo sampler to experimental data on bulk CdS and methylammonium lead bromide (MAPbBr 3 ) crystals. Parameter analyses reveal that transient photoluminescence microscopy can be used to obtain robust estimates of charge carrier diffusivities in optoelectronic materials of interest, but that other experimental approaches should be used for obtaining carrier recombination constants. Additionally, simplifications can be made to the fitting model depending on the experimental conditions and material systems studied. Our open-source simulation code and fitting algorithm are made freely available to the scientific community.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1986

Investigation of advanced fault insertion and simulator methods

The cooperative agreement partly supported research leading to the open-literature publication cited. Additional efforts under the agreement included research into fault modeling of semiconductor devices. Results of this research are presented in this report which is summarized in the following paragraphs. As a result of the cited research, it appears that semiconductor failure mechanism data is abundant but of little use in developing pin-level device models. Failure mode data on the other hand does exist but is too sparse to be of any statistical use in developing fault models. What is significant in the failure mode data is that, unlike classical logic, MSI and LSI devices do exhibit more than 'stuck-at' and open/short failure modes. Specifically they are dominated by parametric failures and functional anomalies that can include intermittent faults and multiple-pin failures. The report discusses methods of developing composite pin-level models based on extrapolation of semiconductor device failure mechanisms, failure modes, results of temperature stress testing and functional modeling. Limitations of this model particularly with regard to determination of fault detection coverage and latency time measurement are discussed. Indicated research directions are presented.

Dunn, W. R.↗
NASA NTRS2000

Assessment of Low Cycle Fatigue Behavior of Powder Metallurgy Alloy U720

The fatigue lives of modem powder metallurgy disk alloys are influenced by variabilities in alloy microstructure and mechanical properties. These properties can vary as functions of variables the different steps of materials/component processing: powder atomization, consolidation, extrusion, forging, heat treating, and machining. It is important to understand the relationship between the statistical variations in life and these variables, as well as the change in life distribution due to changes in fatigue loading conditions. The objective of this study was to investigate these relationships in a nickel-base disk superalloy, U720, produced using powder metallurgy processing. Multiple strain-controlled fatigue tests were performed at 538 C (1000 F) at limited sets of test conditions. Analyses were performed to: (1) assess variations of microstructure, mechanical properties, and LCF failure initiation sites as functions of disk processing and loading conditions; and (2) compare mean and minimum fatigue life predictions using different approaches for modeling the data from assorted test conditions. Significant variations in life were observed as functions of the disk processing variables evaluated. However, the lives of all specimens could still be combined and modeled together. The failure initiation sites for tests performed at a strain ratio R(sub epsilon) = epsilon(sub min)/epsilon(sub max) of 0 were different from those in tests at a strain ratio of -1. An approach could still be applied to account for the differences in mean and maximum stresses and strains. This allowed the data in tests of various conditions to be combined for more robust statistical estimates of mean and minimum lives.

Gabb, Tomothy P.↗
DOE OSTI2021

Filtering, averaging, and scale dependency in homogeneous variable density turbulence

We investigate relationships between statistics obtained from filtering and from ensemble or Reynolds-averaging turbulence flow fields as a function of length scale. Generalized central moments in the filtering approach are expressed as inner products of generalized fluctuating quantities, q ' ( ξ , x ) = q ( ξ ) - q ¯ ( x ) , representing fluctuations of a field q ( ξ ) , at any point ξ, with respect to its filtered value at x. For positive-definite filter kernels, these expressions provide a scale-resolving framework, with statistics and realizability conditions at any length scale. In the small-scale limit, scale-resolving statistics become zero. In the large-scale limit, scale-resolving statistics and realizability conditions are the same as in the Reynolds-averaged description. Using direct numerical simulations (DNS) of homogeneous variable density turbulence, we diagnose Reynolds stresses, T i j , resolved kinetic energy, kr, turbulent mass-flux velocity, a i , and density-specific volume covariance, b, defined in the scale-resolving framework. These variables, and terms in their governing equations, vary smoothly between zero and their Reynolds-averaged definitions at the small and large scale limits, respectively. At intermediate scales, the governing equations exhibit interactions between terms that are not active in the Reynolds-averaged limit. For example, in the Reynolds-averaged limit, b follows a decaying process driven by a destruction term; at intermediate length scales, it is a balance between production, redistribution, destruction, and transport, where b grows as the density spectrum develops and then decays when mixing becomes strong enough. This work supports the notion of a generalized, length-scale adaptive model that converges to DNS at high resolutions and to Reynolds-averaged statistics at coarse resolutions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2019

Simultaneous X-Ray and Infrared Observations of Sagittarius A*'s Variability

Emission from Sagittarius A* is highly variable at both X-ray and infrared (IR) wavelengths. Observations over the last ∼20 yr have revealed X-ray flares that rise above a quiescent thermal background about once per day, while faint X-ray flares from Sgr A* are undetectable below the constant thermal emission. In contrast, the IR emission of Sgr A* is observed to be continuously variable. Recently, simultaneous observations have indicated a rise in IR flux density around the same time as every distinct X-ray flare, while the opposite is not always true (peaks in the IR emission may not be coincident with an X-ray flare). Characterizing the behavior of these simultaneous X-ray/IR events and measuring any time lag between them can constrain models of Sgr A* ʼs accretion flow and the flare emission mechanism. Using 100+ hours of data from a coordinated campaign between the Spitzer Space Telescope and the Chandra X-ray Observatory, we present results of the longest simultaneous IR and X-ray observations of Sgr A* taken to date. The cross-correlation between the IR and X-ray light curves in this unprecedented data set, which includes four modest X-ray/IR flares, indicates that flaring in the X-ray may lead the IR by approximately 10–20 min with 68% confidence. However, the 99.7% confidence interval on the time-lag also includes zero, i.e., the flaring remains statistically consistent with simultaneity. Long-duration and simultaneous multi-wavelength observations of additional bright flares will improve our ability to constrain the flare timing characteristics and emission mechanisms, and must be a priority for Galactic Center observing campaigns.

H. Boyce↗
DOE OSTI2022

Exploring Si Heterojunction Solar Cell Degradation: Bulk and Interface Processes Analyzed by Simulations and Experiments in Order to Develop Mitigation Strategies

The Si technology with the highest conversion efficiency is a-Si/c-Si heterojunction (HJ) PV. Its market penetration, however, is slowed by reports that fielded HJ modules degraded at twice the rate of regular c-Si modules. Our very recent work confirmed this degradation and attributed it to enhanced recombination at the a-Si/c-Si interface, caused by the slow, order-of-magnitude increase of the defect density. We propose to comprehensively explore degradation mechanisms in Si HJ cells by combining simulations and experiments. Theoretically, we will: (1) simulate structure of a-Si and a-Si/c-Si interfaces, identify defects; (2) determine statistics of energy barriers that control defect formation; (3) compute growth of defect density from the barrier distribution, and the resulting degradation of Voc. Experimentally, we will: (1) create a series of HJ-cell-representative stacks with varying layer thicknesses and deposition conditions by using PECVD tools; (2) use temperature and injection-dependent lifetime spectroscopy to determine effective lifetimes; (3) deconvolve the data to separate bulk and interface effects, and the effects of charge density and interface defects to analyze long time degradation. The goal is to identify material and device degradation mechanisms, to develop mitigation strategies for improved stability, such as the introduction of capping layers and hydrogen diffusion control.

14 SOLAR ENERGY↗
NASA NTRS1976

Nonclassical acoustics

A statistical approach to sound propagation is considered in situations where, due to the presence of large gradients of properties of the medium, the classical (deterministic) treatment of wave motion is inadequate. Mathematical methods for wave motions not restricted to small wavelengths (analogous to known methods of quantum mechanics) are used to formulate a wave theory of sound in nonuniform flows. Nonlinear transport equations for field probabilities are derived for the limiting case of noninteracting sound waves and it is postulated that such transport equations, appropriately generalized, may be used to predict the statistical behavior of sound in arbitrary flows.

Kentzer, C. P.↗
DOE OSTI2021

Core–Multishell-Structured Digital-Gradient Cathode Materials with Enhanced Mechanical and Electrochemical Durability

Ni-rich cathode materials provide high energy density, but their structural and surface instability limits their cyclability and thermal stability. As one of the approaches to mitigate this problem, cathode materials comprising Ni-rich high-capacity core wrapped in Mn-rich multiple shells are produced successfully. In contrast to the conventional batch-type process for concentration-gradient materials, a digital-gradient cascade coprecipitation process described here achieves the improvements in productivity and quality consistency needed to move toward large-scale manufacturing. The core-multishell cathode materials produced in this manner not only have longer cycle life and improved rate performance compared to homogeneous Ni-rich cathode materials having the same overall composition, but also show remarkably enhanced thermal stability and low impedance growth characteristics. In a novel attempt to determine the correlation between the mechanical properties of the core-multishell cathode particles and their electrochemical cyclabilities, their breaking force and elasticity were successfully measured using a statistical approach, which indicates that a cathode particle with stable surface composition as well as high breaking force has improved capacity retention and durability. These results guide the realization of long life and high thermal stability in Ni-rich cathode materials through heterogeneous particle engineering.

25 ENERGY STORAGE↗
DOE OSTI2022

Imaging Phase Segregation in Nanoscale Li x CoO 2 Single Particles

Li x CoO 2 (LCO) is a common battery cathode material that has recently emerged as a promising material for other applications including electrocatalysis and as electrochemical random access memory (ECRAM). During charge– discharge cycling LCO exhibits phase transformations that are significantly complicated by electron correlation. While the bulk phase diagram for an ensemble of battery particles has been studied extensively, it remains unclear how these phases scale to nanometer dimensions and the effects of strain and diffusional anisotropy at the single-particle scale. Understanding these effects is critical to modeling battery performance and for predicting the scalability and performance of electrocatalysts and ECRAM. Here we investigate isolated, epitaxial LiCoO 2 islands grown by pulsed laser deposition. After electrochemical cycling of the islands, conductive atomic force microscopy (c-AFM) is used to image the spatial distribution of conductive and insulating phases. Above 20 nm island thicknesses, we observe a kinetically arrested state in which the phase boundary is perpendicular to the Li-planes; we propose a model and present image analysis results that show smaller LCO islands have a higher conductive fraction than larger area islands, and the overall conductive fraction is consistent with the lithiation state. Thinner islands (14 nm), with a larger surface to volume ratio, are found to exhibit a striping pattern, which suggests surface energy can dominate below a critical dimension. When increasing force is applied through the AFM tip to strain the LCO islands, significant shifts in current flow are observed, and underlying mechanisms for this behavior are discussed. The c-AFM images are compared with photoemission electron microscopy images, which are used to acquire statistics across hundreds of particles. Finally, the results indicate that strain and morphology become more critical to electrochemical performance as particles approach nanometer dimensions.

25 ENERGY STORAGE↗
DOE OSTI2021

Phase-field model of precipitation processes with coherency loss

A phase-field model is proposed to simulate coherency loss coupled with microstructure evolution. A special field variable is employed to describe the degree of coherency loss of each particle and its evolution is governed by a Ginzburg-Landau type kinetic equation. For the sake of computational efficiency, a flood-fill algorithm is introduced that can drastically reduce the required number of field variables, which allows the model to efficiently simulate a large number of particles sufficient for characterizing their statistical features during Ostwald ripening. The model can incorporate size dependence of coherency loss, metastability of coherent particles, and effectively incorporate the underlying mechanisms of coherency loss by introducing a so-called differential energy criterion. The model is applied to simulate coarsening of Al 3 Sc precipitates in aluminum alloy and comprehensively compared with experiments. Our results clearly show how the particle size distribution is changed during coherency loss and affects the coarsening rate.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Raman spectrum and polarizability of liquid water from deep neural networks

We introduce a scheme based on machine learning and deep neural networks to model the environmental dependence of the electronic polarizability in insulating materials. Application to liquid water shows that training the network with a relatively small number of molecular configurations is sufficient to predict the polarizability of arbitrary liquid configurations in close agreement with ab initio density functional theory calculations. In combination with a neural network representation of the interatomic potential energy surface, the scheme allows us to calculate the Raman spectra along 2-nanosecond classical trajectories at different temperatures for H 2 O and D 2 O. The vast gains in efficiency provided by the machine learning approach enable longer trajectories and larger system sizes relative to ab initio methods, reducing the statistical error and improving the resolution of the low-frequency Raman spectra. Decomposing the spectra into intramolecular and intermolecular contributions elucidates the mechanisms behind the temperature dependence of the low-frequency and stretch modes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Surface deformation coupled with self-organized pattern on a liquid anode of 1 atm DC glow discharge

Intricate, self-organized plasma structures observed above the surface of a liquid anode of atmospheric DC glow discharge were found to give rise to coherent, organized surface deformation and mechanical wave formation at the plasma–liquid interface. This new phenomenon indicates that the liquid is closely coupled to the plasma by the anode sheath’s electrohydrodynamic (EHD) force. A scientific question then arises: Do surface perturbations, coupled with the nonuniform surface charge distribution, enhance the electric field and induce self-organization? Using the reflective background-oriented schlieren technique, the liquid surface profile under the plasma pattern was measured for the first time. The results show that surface distortions are driven by the repulsive Coulomb force of nonuniform net-negative surface charge acted by the anode sheath field. The impacts of various operating parameters on the patterns and surface waves were examined, revealing the significance of gas heating and liquid charge relaxation time in the pattern formation mechanism. Time-resolved dynamics of a pulsed DC discharge indicated that the surface deformation only appeared after the establishment of plasma patterns. Statistically, the surface wave under the plasma has high wave numbers (8000–16000 m −1 ) and small amplitudes ($<$ 10 µm), generally found in the capillary wave regime. Yet the motion of surface deformations is in tandem with the plasma pattern and exhibits a nondispersive nature of constant phase velocity (0.1–0.4 m s −1 ), suggesting the dominant role of EHD force over the surface tension in the observed surface wave. These results indicate that the deformed liquid surface is driven by the EHD force of the plasma sheath. Although they share a similar geometry, the deformation and wave dynamics of the liquid surface do not stimulate a plasma pattern. Importantly, the complex EHD coupling in the plasma–liquid system raises awareness and new challenges for plasma control engineering, and the quantitative characteristics of the nondispersive surface wave are informative for advancing relevant theory and modeling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

(Anti-)deuteron production in pp collisions at $\sqrt{s}=13 \ \text {TeV}$

The study of (anti-)deuteron production in pp collisions has proven to be a powerful tool to investigate the formation mechanism of loosely bound states in high-energy hadronic collisions. In this paper the production of $\text {(anti-)deuterons}$ is studied as a function of the charged particle multiplicity in inelastic pp collisions at $\sqrt{s}=13$ TeV using the ALICE experiment. Thanks to the large number of accumulated minimum bias events, it has been possible to measure (anti-)deuteron production in pp collisions up to the same charged particle multiplicity ( ${\mathrm {d} N_{ch}/\mathrm {d} \eta } \sim 26$ ) as measured in p–Pb collisions at similar centre-of-mass energies. Within the uncertainties, the deuteron yield in pp collisions resembles the one in p–Pb interactions, suggesting a common formation mechanism behind the production of light nuclei in hadronic interactions. In this context the measurements are compared with the expectations of coalescence and statistical hadronisation models (SHM).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1978

Pulse compression inside an actively AM mode-locked Nd:YAG laser using a liquid Kerr cell

A mode-locked Nd:YAG laser capable of generating pulses substantially shorter than the present limit of 30-50 ps, while retaining the stability of active mode locking, would be a useful development. This study presents a simplified theoretical analysis and a preliminary experimental verification of the use of an optical Kerr cell as a passive lossless pulse compressor inside a Q-switched and actively mode-locked YAG laser. The theoretical model indicates possible compression to as short as about 5 ps in a typical low-power Nd:YAG laser. The preliminary experimental results show substantial pulse compression via the predicted mechanism, though still not below about 30 ps. The technique appears capable, however, of pulse compression to substantially shorter values without the instabilities, statistical fluctuations, or energy losses associated with saturable-absorber mode locking.

Duerinckx, A. J.↗
NASA NTRS1989

Advanced single crystal for SSME turbopumps

The objective of this program was to evaluate the influence of high thermal gradient casting, hot isostatic pressing (HIP) and alternate heat treatments on the microstructure and mechanical properties of a single crystal nickel base superalloy. The alloy chosen for the study was PWA 1480, a well characterized, commercial alloy which had previously been chosen as a candidate for the Space Shuttle Main Engine high pressure turbopump turbine blades. Microstructural characterization evaluated the influence of casting thermal gradient on dendrite arm spacing, casting porosity distribution and alloy homogeneity. Hot isostatic pressing was evaluated as a means of eliminating porosity as a preferred fatigue crack initiation site. The alternate heat treatment was chosen to improve hydrogen environment embrittlement resistance and for potential fatigue life improvement. Mechanical property evaluation was aimed primarily at determining improvements in low cycle and high cycle fatigue life due to the advanced processing methods. Statistically significant numbers of tests were conducted to quantitatively demonstrate life differences. High thermal gradient casting improves as-cast homogeneity, which facilitates solution heat treatment of PWA 1480 and provides a decrease in internal pore size, leading to increases in low cycle and high cycle fatigue lives.

Fritzemeier, L. G.↗
NASA NTRS1992

Forced unsteady deceleration of a turbulent boundary layer from a temporal perspective

The behavior of a turbulent boundary layer which has been subjected to a local ramp-like deceleration in the external velocity field, which leads to forced separation, has been studied experimentally. The data of this study are re-interpreted in light of more recent findings concerning the temporal nature of boundary layer turbulence in the presence of forced unsteady shear. In particular, the robustness of the near-wall turbulent motions to organized deformation is recognized. Their resilence during unsteady shearing action promotes continued efficient turbulent mixing and rapid redistribution of turbulent kinetic energy during forced transients. In aerodynamic problems, the rapid nature of the adjustment of the turbulence field to a new temporal boundary condition necessitates equally rapid remedial measures to be taken if means of control/prevention of forced unsteady separation are to be deployed to maximum effect. This requirement suggests exploration of the use of simple, real-time statistical forecasting techniques, based upon time-series analysis of easily-measurable features of the flow, to help assure timely deployment of mechanisms of boundary-layer control. This paper focuses upon the nature of turbulence in boundary layers undergoing forced deceleration which would lead to separation. A preliminary form of a forecasting model is presented and evaluated. Using observations of the previous two large eddies passing a detector, it forecasts the behavior of the future large eddy rather well.

Brereton, G. J.↗
NASA NTRS1998

Contributions of tidal lung inflation to human R-R interval and arterial pressure fluctuations

We studied the effects of mechanical lung inflation on respiratory frequency R-R interval and arterial pressure fluctuations in nine healthy young adults undergoing elective orthopedic surgery. We conducted this research to define the contribution of pulmonary and thoracic stretch receptor input to respiratory sinus arrhythmia. We compared fast Fourier transform spectral power during three modes of ventilation: (1) spontaneous, frequency-controlled (0.25 Hz) breathing, (2) intermittent positive pressure ventilation (0.25 Hz, with a tidal volume of 8 ml/kg) and (3) high frequency jet ventilation (5.0 Hz, 2.5 kg/cm2), after sedation and vecuronium paralysis. Mean R-R intervals, arterial pressures and arterial blood gas levels were comparable during all three breathing conditions. Respiratory frequency systolic pressure spectral power was comparable during spontaneous breathing and conventional mechanical ventilation, but was significantly reduced during high frequency jet ventilation (P < 0.05). Respiratory frequency R-R interval spectral power (used as an index of respiratory sinus arrhythmia) declined dramatically with sedation and muscle paralysis (P < 0.05), but was greater during conventional mechanical, than high frequency jet ventilation (P < 0.05). These results suggest that although phasic inputs from pulmonary and thoracic stretch receptors make a statistically significant contribution to respiratory sinus arrhythmia, that contribution is small.

Clinical Trial↗
NASA NTRS2011

Subtropical Gyre Variability as Seen from Satellites

A satellite multi-sensor approach is used to analyse the biological response of open ocean regions of the subtropical gyres to changes in physical forcing. Thirteen years (1998-2010) of SeaWiFS chlorophyll a (Chl-a), combined with concurrent satellite records of sea-surface temperature (SST) and sea level height, were analysed to investigate the seasonal and interannual variability of Chl-a concentration within these immense so-called ocean deserts. The seasonal variability of Chl-a within the gyres is driven mostly by the warming/cooling of surface waters. Summer warming promotes shallower mixed layers and lower Chl-a due to a reduction of vertical mixing and consequently a decrease in nutrient supply. The opposite happens during the winter cooling period. Therefore, long-term trends in SST have the potential to cause an impact on the interannual variability of Chl-a. Our analyses show that, during the 13 whole years of SeaWiFS data record, the North Pacific, Indian Ocean, and North Atlantic gyres experienced a decrease in Chl-a of 9%, 12%, and 11%, respectively, with corresponding SST increases of 0.27 C, 0.42 C, and 0.32 C. The South Pacific and South Atlantic gyres also showed warming trends but with weak positive trends in Chl-a that are not statistically significant. We hypothesize that the warming of surface waters in these two gyres are counterbalanced by other interacting physical and biological driving mechanisms, as indicated in previous studies.

Signorini, Sergio R.↗