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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 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Kinetic Simulations of Cu Doping in Chlorinated CdSeTe PV Absorbers

This paper reports on 1D kinetic modeling of p-type doping formation in Cu-doped chlorinated CdSeTe photovoltaic (PV) absorbers with graded Se profiles. Following the recent progress in kinetic simulations of the defect chemistry in stoichiometric CdTe films, this work extends simulation capabilities to a domain of semiconductor alloy films with graded stoichiometries. The defect formation energies and ionization levels, as well as the diffusion and reaction barriers used in the reaction-diffusion equations are calculated from the first principles. A new formalism is employed to account for the uncertainty of the defect formation energies in semiconductor alloys caused by unknown local surrounding. Finally, the developed methodology is used to model a practical fabrication process of p-type doping formation in graded CdSeTe absorbers and to study the effect of alloy stoichiometry on the doping activation.

14 SOLAR ENERGY↗
NASA NTRS2021

Local Ultrasonic Resonance Spectroscopy of Lithium Metal Batteries for Aerospace Applications

As next-generation aircraft and vehicles continue to develop, so do their associated energy demands. Lithium metal batteries are a leading candidate to fulfill this energy requirement, but these batteries are prone to internal dendrite defects that can lead to catastrophic thermal runaway events. Current battery management systems are capable of mitigating such risks, but are unable to detect such defects until thermal runaway has already begun. Various nondestructive evaluation (NDE) techniques, particularly ultrasonic NDE, can directly monitor internal battery parameters giving them the potential to detect critical defects prior to catastrophic failure. However, most of the current battery NDE research has focused on improved battery state-of-charge (SOC) and stateof- health (SOH) monitoring with little emphasis on critical defect detection. Thus, a measurement technique sensitive to subtle battery defects is needed. In addition, the complex mechanics of ultrasound in porous, thin, multilayered batteries prompt the use of physics-based simulation to guide inspections. In this work, an ultrasonic NDE technique has been developed utilizing frequency domain analysis of local battery resonances to detect the presence of battery defects. This technique is a practical extension of local ultrasonic resonance spectroscopy (LURS) – which previously required non-contact laser ultrasonics – to measurements with piezoelectric contact and immersion scan transducers. To extend the technique to work with piezoelectric transducers, ultrasonic battery measurements were compared to a sans-battery calibration measurement. Then, a linear systems deconvolution was used to eliminate the transfer functions of extraneous factors such as the transducer and electronics, leaving only the frequency-dependent battery reflection coefficient. The LURS technique was first validated on stainless steel and aluminum plates, producing reflection coefficients in line with analytical and numerical finite element modeling (FEM) results. Functioning Li-metal pouch cells were then seeded with lithium chip defects prior to LURS measurements. The presence of these defects is shown to cause a measurable shift in the battery’s through-thickness local resonances. 2D, frequency-domain poroelastic models of ultrasonic propagation in a single-cell lithium metal pouch battery were created and corroborated these findings. Thus, this work has both extended and proven the feasibility of the LURS technique in the detection of local battery defects.

Ultrasound↗
DOE OSTI2019

Self-organized dynamics and the transition to turbulence of confined active nematics

We study how confinement transforms the chaotic dynamics of bulk microtubule-based active nematics into regular spatiotemporal patterns. For weak confinements in disks, multiple continuously nucleating and annihilating topological defects self-organize into persistent circular flows of either handedness. Increasing confinement strength leads to the emergence of distinct dynamics, in which the slow periodic nucleation of topological defects at the boundary is superimposed onto a fast procession of a pair of defects. A defect pair migrates toward the confinement core over multiple rotation cycles, while the associated nematic director field evolves from a distinct double spiral toward a nearly circularly symmetric configuration. The collapse of the defect orbits is punctuated by another boundary-localized nucleation event, that sets up long-term doubly periodic dynamics. Comparing experimental data to a theoretical model of an active nematic reveals that theory captures the fast procession of a pair of + 1 / 2 defects, but not the slow spiral transformation nor the periodic nucleation of defect pairs. Theory also fails to predict the emergence of circular flows in the weak confinement regime. The developed confinement methods are generalized to more complex geometries, providing a robust microfluidic platform for rationally engineering 2D autonomous flows.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Localizing tetrahedral aluminum in nitrate-bearing gibbsite to constrain defect-impurity coupling

The enhanced radiolytic stability of gibbsite (α-Al(OH) 3 ) containing trace nitrate (NO 3 − ) is a phenomenon in nuclear waste management, but its structural origins remain unresolved. Motivated by the detection of minority tetrahedral aluminum (T d ) defects in synthetic gibbsite, we hypothesized that these sites may participate in NO 3 − retention or mediate H 2 suppression. To evaluate this, we combined orthogonal techniques comprised of spatially selective solid-state 27 Al MAS NMR, comparative spectroscopy, and density functional theory (DFT) modeling. Paramagnetic editing and dynamic nuclear polarization (DNP) MAS NMR confirm that T d defects are confined to the particle interior. DFT calculations reveal no energetic stabilization of NO 3 − near T d sites. Comparative NMR analysis shows that T d is also present in chloride-bearing gibbsite, which exhibits high radiolytic hydrogen yields. These three independent disqualifications rule out T d as a structural contributor to nitrate-mediated suppression and narrow the scope of defect-driven explanations. The findings redirect mechanistic attention away from coordination defects and toward redox-active impurity pathways, providing a refined foundation for understanding radiation tolerance in Al(OH) 3 .

Graham, Trent R. [Pacific Northwest National Labor↗
NASA NTRS1993

Atomic oxygen interaction at defect sights in protective coatings on polymers flown on LDEF

Although the Long Duration Exposure Facility (LDEF) has exposed materials with a fixed orientation relative to the ambient low-Earth-orbital environment, arrival of atomic oxygen is angularly distributed as a result of the atomic oxygen's high temperature Maxwellian velocity distribution and the LDEF's orbital inclination. Thus, atomic oxygen entering defects in protective coatings on polymeric surfaces can cause wider undercut cavities than the size of the defect in the protective coating. Because only a small fraction of atomic oxygen reacts upon first impact with most polymeric materials, secondary reactions with lower energy thermally accommodated atomic oxygen can occur. The secondary reactions of scattered and/or thermally accommodated atomic oxygen also contribute to widening the undercut cavity beneath the protective coating defect. As the undercut cavity enlarges, exposing more polymer, the probability of atomic oxygen reacting with underlying polymeric material increases because of multiple opportunities for reaction. Thus, the effective atomic oxygen erosion yield for atoms entering defects increases above that of the unprotected material. Based on the results of analytical modeling and computational modeling, aluminized Kapton multilayer insulation exposed to atomic oxygen on row 9 lost the entire externally exposed layer of polyimide Kapton, yet based on the results of this investigation, the bottom surface aluminum film must have remained in place, but crazed. Atomic oxygen undercutting at defect sites in protective coatings on graphite epoxy composites indicates that between 40 to 100 percent of the atomic oxygen thermally accommodates upon impact, and that the reaction probability of thermally accommodated atomic oxygen may range from 7.7 x 10(exp -6) to 2.1 x 10(exp -3), depending upon the degree of thermal accommodation upon each impact.

Banks, Bruce A.↗
DOE OSTI2019

Closure of Internal Porosity in Continuous Casting Bloom During Heavy Reduction Process

To investigate the closure behavior of internal porosity (also referred to as internal void) in continuous casting bloom during heavy reduction (HR) and thus provide theoretical guidance for minimizing this kind of internal defect more effectively with HR, a three-dimensional (3D) mechanical model was developed based on the predicted temperature field by a 2D heat transfer model. With this 3D mechanical model, closure behaviors of internal porosity in continuous casting bloom during HR at and after the strand solidification end under different process conditions were numerically studied. It was found that the void axis length decreased significantly along the bloom thickness direction and increased slightly along the casting and bloom width directions after HR, and the influence of the initial void size on the void closure was not obvious. With a decrease of temperature difference between the bloom surface and center, HR efficiency for minimizing internal void decreased, while the required reduction force significantly increased. Compared with blooms with a uniform temperature distribution of 1100 °C, the void closure index after HR implemented at the strand solidification end was increased by ~ 25 pct. Compared with a conventional flat roll, the application of a convex roll during HR could contribute to minimizing the internal porosity more effectively and significantly enhance the reduction capacity of the withdrawal and straightening units. The void closure index of η{sub s} and η{sub v} (where η{sub s} and η{sub v} were defined based on the variation of the void aspect ratio and the void volume, respectively) was closely related to the equivalent strain (ε{sub eq}) and the hydrostatic integration parameter (Q), respectively, and two mathematical equations were derived to quantitatively describe the relationship of η{sub s} − ε{sub eq} and η{sub v} − Q.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Interacting kinks and meson mixing

A Rayleigh–Schrödinger type of perturbation scheme is employed to study weakly interacting kinks and domain walls formed from two different real scalar fields χ and φ. An interaction potential V{sub 1}(χ,φ) is chosen which vanishes in a vacuum state of either field. Approximate first order corrections for the fields are found, which are associated with scalar field condensates inhabiting the zeroth order topological solitons. The model considered here presents several new and interesting features. These include (1) a condensate of each kink field inhabits the other kink, (2) the condensates contribute an associated mass to the system which vanishes when the kinks overlap, (3) a resulting mass defect of the system for small interkink distances allows the existence of a loosely bound state when the interkink force is repulsive. An identification of the interaction potential energy and forces allows a qualitative description of the classical motion of the system, with bound states, along with scattering states, possible when the interkink force is attractive. (4) Finally, the interaction potential introduces a mixing and oscillation of the perturbative χ and φ meson flavor states, which has effects upon meson–kink interactions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2017

A Model-Based, Bayesian Solution for Characterization of Complex Damage Scenarios in Aerospace Composite Structures

Ultrasonic damage detection and characterization is commonly used in nondestructive evaluation (NDE) of aerospace composite components. In recent years there has been an increased development of guided wave based methods. In real materials and structures, these dispersive waves result in complicated behavior in the presence of complex damage scenarios. Model-based characterization methods utilize accurate three dimensional finite element models (FEMs) of guided wave interaction with realistic damage scenarios to aid in defect identification and classification. This work describes an inverse solution for realistic composite damage characterization by comparing the wavenumber-frequency spectra of experimental and simulated ultrasonic inspections. The composite laminate material properties are first verified through a Bayesian solution (Markov chain Monte Carlo), enabling uncertainty quantification surrounding the characterization. A study is undertaken to assess the efficacy of the proposed damage model and comparative metrics between the experimental and simulated output. The FEM is then parameterized with a damage model capable of describing the typical complex damage created by impact events in composites. The damage is characterized through a transdimensional Markov chain Monte Carlo solution, enabling a flexible damage model capable of adapting to the complex damage geometry investigated here. The posterior probability distributions of the individual delamination petals as well as the overall envelope of the damage site are determined.

H. Reed↗
DOE OSTI2021

Decoding defect statistics from diffractograms via machine learning

Abstract Diffraction techniques can powerfully and nondestructively probe materials while maintaining high resolution in both space and time. Unfortunately, these characterizations have been limited and sometimes even erroneous due to the difficulty of decoding the desired material information from features of the diffractograms. Currently, these features are identified non-comprehensively via human intuition, so the resulting models can only predict a subset of the available structural information. In the present work we show (i) how to compute machine-identified features that fully summarize a diffractogram and (ii) how to employ machine learning to reliably connect these features to an expanded set of structural statistics. To exemplify this framework, we assessed virtual electron diffractograms generated from atomistic simulations of irradiated copper. When based on machine-identified features rather than human-identified features, our machine-learning model not only predicted one-point statistics (i.e. density) but also a two-point statistic (i.e. spatial distribution) of the defect population. Hence, this work demonstrates that machine-learning models that input machine-identified features significantly advance the state of the art for accurately and robustly decoding diffractograms.

36 MATERIALS SCIENCE↗
NASA NTRS1986

Spatial resolution and nature of defects produced by low-energy proton irradiation of GaAs solar cells

AlGaAs/GaAs solar cells with about 0.5-micron-thick Al(0.85)Ga(0.15)As window layers were irradiated using isotropic and normal incidence protons having energies between 50 and 500 keV with fluences up to 1 x 10 to the 12th protons/sq cm. Although the projected range for these protons varies from 0 to more than 4.5 microns, the recombination losses due to the irradiation-induced defects were observed to be maximum in the vicinity of the AlGaAs/GaAs interface and the space-charge region irrespective of the proton energy. This was found by analyzing spectral response measurements. The results are explained by using a model in which the interaction of as-grown dislocations with irradiation-induced point defects is considered.

Kachare, R.↗
NASA NTRS1993

Thermophysical property sensitivity effects in steel solidification

The simulation of advanced solidification processes via digital computer techniques has gained widespread acceptance during the last decade or so. Models today can predict transient temperature fields, fluid flow fields, important microstructural parameters, and potential defects in castings. However, the lack of accurate thermophysical property data on important industrial alloys threatens to limit the ability of manufacturers to fully capitalize on the technology's benefits. A study of the sensitivity of one such numerical model of a steel plate casting to imposed variations in the data utilized for the thermal conductivity, specific heat, density, and heat of fusion is described. The sensitivity of the data's variability is characterized by its effects on the net solidification time of various points along the centerline of the plate casting. Recommendations for property measurements are given and the implications of data uncertainty for modelers are discussed.

Overfelt, Tony↗
NASA NTRS1992

On the nature of bias and defects in the software specification process

Implementation bias in a specification is an arbitrary constraint in the solution space. This paper describes the problem of bias. Additionally, this paper presents a model of the specification and design processes describing individual subprocesses in terms of precision/detail diagrams and a model of bias in multi-attribute software specifications. While studying how bias is introduced into a specification we realized that software defects and bias are dual problems of a single phenomenon. This was used to explain the large proportion of faults found during the coding phase at the Software Engineering Laboratory at NASA/GSFC.

Straub, Pablo A.↗
NASA NTRS1972

A theoretical study of mixing downstream of transverse injection into a supersonic boundary layer

A theoretical and analytical study was made of mixing downstream of transverse hydrogen injection, from single and multiple orifices, into a Mach 4 air boundary layer over a flat plate. Numerical solutions to the governing three-dimensional, elliptic boundary layer equations were obtained using a general purpose computer program. Founded upon a finite element solution algorithm. A prototype three-dimensional turbulent transport model was developed using mixing length theory in the wall region and the mass defect concept in the outer region. Excellent agreement between the computed flow field and experimental data for a jet/freestream dynamic pressure ratio of unity was obtained in the centerplane region of the single-jet configuration. Poorer agreement off centerplane suggests an inadequacy of the extrapolated two-dimensional turbulence model. Considerable improvement in off-centerplane computational agreement occured for a multi-jet configuration, using the same turbulent transport model.

Baker, A. J.↗
NASA NTRS1982

Reduction of solar cell efficiency by bulk defects across the back-surface-field junction

The degradation of solar cell performance due to bulk defects distributed across the back-surface field junction is analyzed in terms of a three-region developed-perimeter model. Families of curves are computed and their physical significance is discussed in detail with reference to three parameters used to characterize the defects: defect area, defect density, and defect surface recombination velocity. A reduction in the open-circuit voltage due to the presence of a defect is expressed as a function of the defect area, density, cell thickness, and defect surface recombination velocity. Numerical examples are presented to illustrate the importance of the particular defect parameters.

Sah, C. T.↗
NASA NTRS1985

Stress and efficiency studies

Optical and electrical characterization of defects has been started in EFG ribbon grown in a system that will be used to test the stress model. Temperature and stress field modeling aimed at defining low stress growth configuration is also in progress, and results will be used to guide development of the experimental system. The baseline defect configuration for ribbon grown at speeds of approx. 1 cm/min consists of dislocation densities of the order of 10 to the 5th power to 10 to the 6th power/sq cm, as well as saucer type etch pits and line defects. All these defects are inhomogeneously distributed. EBIC measurements indicate that diffusion lengths are in the range 20 to 60 microns, and significant spatial inhomogeneities occur through the ribbon thickness. Growth speed changes in the range 0.7-1.0 cm/min do not produce significant variations in ribbon defect configurations.

Source record↗
NASA NTRS2007

Full Life-Cycle Defect Management Assessment: Initial Inspection Data Collection Results and Research Questions for Further Study

It is often the case in software projects that when schedule and budget resources are limited, the Verification and Validation (V&V) activities suffer. Fewer V&V activities can be afforded and moreover, short-term challenges can result in V&V activities being scaled back or dropped altogether. As a result, too often the default solution is to save activities for improving software quality until too late in the life-cycle, relying on late-term code inspections followed by thorough testing activities to reduce defect counts to acceptable levels. As many project managers realize, however, this is a resource-intensive way of achieving the required quality for software. The Full Life-cycle Defect Management Assessment Initiative, funded by NASA s Office of Safety and Mission Assurance under the Software Assurance Research Program, aims to address these problems by: Improving the effectiveness of early life-cycle V&V activities to make their benefits more attractive to team leads. Specifically, we focus on software inspection, a proven method that can be applied to any software work product, long before executable code has been developed; Better communicating this effectiveness to software development teams, along with suggestions for parameters to improve in the future to increase effectiveness; Analyzing the impact of early life-cycle V&V on the effectiveness and cost required for late life-cycle V&V activities, such as testing, in order to make the tradeoffs more apparent. This white paper reports on an initial milestone in this work, the development of a preliminary model of inspection effectiveness across multiple NASA Centers. This model contributes toward reaching our project goals by: Allowing an examination of inspection parameters, across different types of projects and different work products, for an analysis of factors that impact defect detection effectiveness. Allowing a comparison of this NASA-specific model to existing recommendations in the literature regarding how to plan effective inspections. Forming a baseline model which can be extended to incorporate factors describing: the numbers and types of defects that are missed by inspections; how such defects flow downstream through software development phases; how effectively they can be caught by testing activities in the late stages of development. The model has been implemented in a prototype web-enabled decision-support tool which allows developers to enter their inspection data and receive feedback based on a comparison against the model. The tool also allows users to access reusable materials (such as checklists) from projects included in the baseline. Both the tool itself and the model underlying it will continue to be extended throughout the remainder of this initiative. As results of analyzing inspection effectiveness for defect containment are determined, they can be shared via the tool and also via updates to existing training courses on metrics and software inspections. Moreover, the tool will help satisfy key CMMI requirements for the NASA Centers, as it will enable NASA to take a global view across peer review results for various types of projects to identify systemic problems. This analysis can result in continuous improvements to the approach to verification.

Shull, Forrest↗
DOE OSTI2022

Near‐Unity Superradiant Emission from Delocalized Frenkel Excitons in a Two‐Dimensional Supramolecular Assembly

Abstract Three general effective strategies are shown to mitigate nonradiative losses in the superradiant emission from supramolecular assemblies. J‐aggregates of 5,5′,6,6′‐tetrachloro‐1,1′‐diethyl‐3,3′‐di(4–sulfobutyl)‐benzimidazolocarbocyanine (TDBC) are used to elucidate the nature of nonradiative processes. Self‐annealing at room temperature (RT), photo‐brightening, and purification of the dye monomers are shown to all lead to substantial increases in emission quantum yields (QYs) and a concomitant lengthening of the emission lifetime, with purification having the largest effect. Structural and optical measurements are used to support a microscopic model that emphasizes the deleterious effects of a small number of impurity and defect sites that serve as nonradiative recombination centers. This understanding has yielded a molecular fluorophore in solution at RT with an unprecedented combination of fast emissive lifetime and high QY. Superradiant emission with a QY of 82% and a lifetime of 174 ps is obtained from J‐aggregates of TDBC in solution at RT. This combination of high QY and fast lifetime at RT makes supramolecular assemblies of purified TDBC a model system for the study of fundamental superradiance phenomena. High QY J‐aggregates are uniquely suited for the development of applications that require high speed and high brightness fluorophores such as devices for high‐speed optical communication.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Oxide evolution on the SiC layer of TRISO particles during extended air oxidation

Tristructural isotropic (TRISO) fuel particles have been primarily developed for high-temperature gas-cooled nuclear reactors and can be subjected to oxidizing environments for extended periods in an off-normal accident scenario. Surrogate TRISO fuel particles were oxidized in air at 1,000 or 1,100 °C for up to 120 h. Here, the oxide scale morphology and thickness were studied via scanning electron microscopy, focused ion beam, and atomic force microscopy. TRISO particles oxidized at 1,100 °C exhibited a highly crystalline oxide scale, which led to significant cracking and irregularly shaped closed porosity, whereas those oxidized at 1,000 °C possessed a primarily amorphous oxide scale, which contained small, rounded internal pores and no larger defects. The observed phenomena deviated from the expected behavior based on models for oxide growth on flat-plate and fiber SiC. The oxidation kinetics of TRISO fuel particles in high-temperature air were investigated without mechanically deforming the surface and were analyzed with respect to oxide morphology.

36 MATERIALS SCIENCE↗