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DOE OSTI2020

Data on the comprehensive first-principles diffusion study of the aluminum-magnesium system

First-principles calculation of diffusion coefficients between Mg and Al is investigated comprehensively using density functional theory (DFT). The effect of different uncertainty sources arising from first principles calculations has been investigated systematically. These sources include the diffusion model, energetic, entropic and attempt frequency calculations. Variation in self and impurity diffusion coefficients of Mg and Al in stable phases are quantified using different DFT settings and compared with the experiments. Using the optimal DFT settings, diffusion coefficients in metastable phases of Al and Mg are predicted. The dataset refers to “An integrated experimental and computational study of diffusion and atomic mobility of the aluminum-magnesium system” [1].

36 MATERIALS SCIENCE↗

NASA NTRS2002

Earth Observing-1 Advanced Land Imager Flight Performance Assessment: Absolute Radiometry and Stability During the First Year

The absolute radiometry of the Advanced Land Imager during the first year on orbit (November 21,2000 - November 21, 2001) is presented. Results derived from solar, lunar, ground truth, and internal reference lamp measurements are presented. An 18% drop in the radiometric response of the Band 1p data since preflight calibration at Lincoln Laboratory is observed using all techniques. This decrease cannot be accounted for by preflight calibration errors, stray light, or contamination of the focal plane. A slight drooping of the VNIR response toward the blue and a 5-12% increase in the Band 5 response is also apparent in all the data. Radiometric response correction factors have been calculated and preflight calibration coefficients have been updated in order to provide +/- 5% agreement between the measured solar, lunar, and ground truth data and the expected values. The radiometric stability of the ALI during the first year of operation is also presented for each spectral band. Internal reference lamp data indicate the focal plane has been stable to within 1% for bands 1p, 1, 2, 5p, 5, 7, pan and 3% for Bands 3,4, 4p since launch. Solar, lunar, and ground truth measurements indicate the optical train and solar diffuser of the instrument has been stable to within 1% since initial measurements on orbit in late December 2000.

Mendenhall, J. A.↗

NASA NTRS1982

Vertical eddy diffusion coefficient from the LANDSAT imagery

Analysis of five stable cases of the smoke plumes that originated in eastern Cabo Frio (22 deg 59'S; 42 deg 02'W), Brazil using LANDSAT imagery is presented for different months and years. From these images the lateral standard deviation (sigma sub y) and the lateral eddy diffusion coefficient (K sub y) are obtained from the formula based on Taylor's theory of diffusion by continuous moment. The rate of kinetic energy dissipation (e) is evaluated from the diffusion parameters sigma sub y and K sub y. Then, the vertical diffusion coefficient (K sub z) is estimated using Weinstock's formulation. These results agree well with the previous experimental values obtained over water surfaces by various workers. Values of e and K sub z show the weaker mixing processes in the marine stable boundary layer. The data sample is apparently to small to include representative active turbulent regions because such regions are so intermittent in time and in space. These results form a data base for use in the development and validation of mesoscale atmospheric diffusion models.

Viswanadham, Y.↗

DOE OSTI2023

Effects of diffusion barriers on reaction wave stability in Co/Al reactive multilayers

Bimetallic, reactive multilayers are uniformly structured materials composed of alternating sputter-deposited layers that may be ignited to produce self-propagating mixing and formation reactions. These nanolaminates are most commonly used as rapid-release heat sources. The specific chemical composition at each metal/metal interface determines the rate of mass transport in a mixing and formation reaction. The inclusion of engineered diffusion barriers at each interface will not only inhibit solid-state mixing but also may impede the self-propagating reactions by introducing instabilities to wavefront morphology. Here, this work examines the effect of adding diffusion barriers on the propagation of reaction waves in Co/Al multilayers. The Co/Al system has been shown to exhibit a reaction propagation instability that is dependent on the bilayer thickness, which allows for the occurrence of unstable modes in otherwise stable designs from the inclusion of diffusion barriers. Based on the known stability criteria in the Co/Al multilayer system, the way in which the inclusion of diffusion barriers changes a multilayer's heat of reaction, thermal conductivity, and material mixing mechanisms can be determined. These factors, in aggregate, lead to changes in the wavefront velocity and stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1953

On the Development of Turbulent Wakes from Vortex Streets

Wake development behind circular cylinders at Reynolds numbers from 40 to 10,000 was investigated in a low-speed wind tunnel. Standard hotwire techniques were used to study the velocity fluctuations. The Reynolds number range of periodic vortex shedding is divided into two distinct subranges. At R = 40 to 150, called the stable range, regular vortex streets are formed and no turbulent motion is developed. The range R = 150 to 300 is a transition range to a regime called the irregular range, in which turbulent velocity fluctuations accompany the periodic formation of vortices. The turbulence is initiated by laminar-turbulent transition in the free layers which spring from the separation points on the cylinder. This transition first occurs in the range R = 150 to 300. Spectrum and statistical measurements were made to study the velocity fluctuations. In the stable range the vortices decay by viscous diffusion. In the irregular range the diffusion is turbulent and the wake becomes fully turbulent in 40 to 50 diameters downstream. It was found that in the stable range the vortex street has a periodic spanwise structure. The dependence of shedding frequency on velocity was successfully used to measure flow velocity. Measurements in the wake of a ring showed that an annular vortex street is developed.

FLOW, SUBSONIC↗

DOE OSTI2023

Atomistic modeling of metal–nonmetal interphase boundary diffusion

Atomistic computer simulations are applied to investigate the atomic structure, thermal stability, and diffusion processes in Al–Si interphase boundaries as a prototype of metal–ceramic interfaces in composite materials. Some of the most stable orientation relationships between the phases found in this work were previously observed in epitaxy experiments. Here, a non-equilibrium interface can transform to a more stable state by a mechanism that we call interface-induced recrystallization. Diffusion of both Al and Si atoms in stable Al–Si interfaces is surprisingly slow compared with diffusion of both elements in Al grain boundaries but can be accelerated in the presence of interface disconnections. A qualitative explanation of the sluggish interphase boundary diffusion is proposed. Atomic mechanisms of interphase boundary diffusion are similar to those in metallic grain boundaries and are dominated by correlated atomic rearrangements in the form of strings and rings of collectively moving atoms.

36 MATERIALS SCIENCE↗

NASA NTRS1990

Growth morphology with anisotropic surface kinetics

The morphological evolution of crystals growing from an incongruent vapor phase is studied using a Monte Carlo model, and the full range of growth morphologies is recovered. The diffusion in the bulk nutrient and the anisotropy in the interface kinetics are morphologically destabilizing and stabilizing, respectively. For a given set of simulation parameters and lattice symmetries there is a critical size, which scales linearly with the mean free path in the vapor, beyond which a crystal cannot retain its stable, macroscopically faceted growth shape. Surface diffusion stabilizes faceted growth on the shorter scale of the mean surface diffusion length. In simulations with a uniform drift superimposed on the random walk nutrient transport, crystal faces oriented toward the drift show enhanced morphological stability compared to the purely diffusive situation. Rotational drifts with periodic reversal of direction are morphologically stabilizing for all crystal facets.

Xiao, Rong-Fu↗

NASA NTRS1992

On an origin of numerical diffusion: Violation of invariance under space-time inversion

The invariant properties of the convection equation du/dt + adu/dx = 0 (where d is the partial differential operator) with respect to spatial reflection, time reversal, and space-time inversion are studied. Generally, a finite-difference analog of this equation may possess some or none of these properties. It is shown that, under certain conditions, the von Neumann amplification factor of an analog satisfies a special relation for each invariant property this analog possesses. Particularly, an analog is neutrally stable and thus free of numerical diffusion if it possesses the invariant property related to space-time inversion. It is also explained why generally (1) an upwind scheme possesses neither the invariant property related to spatial reflection nor that related to space-time inversion, and (2) an explicit scheme possesses neither the invariant property related to time reversal nor that related to space-time inversion. Extension to the viscous case and a remarkable connection between the current work and a new numerical framework for solving conservation laws are also discussed.

Chang, Sin-Chung↗

NASA NTRSDate not supplied

Seasonal, Spectral, and Regional Characterization of Deep Convective Clouds Top-of-Atmosphere Bidirectional Reflectance for Improved Satellite Intercalibration

The NASA CERES project provides the scientific community with regional broadband fluxes designed for long-term climate monitoring. The CERES climate quality dataset requires that the CERES instrument, as well as the MODIS and VIIRS imager records to be radiometrically stable over time. Deep Convective Clouds (DCCs) are spectrally uniform, near-Lambertian natural diffusers offering high signal-to-noise ratio and stable radiometric response in the VIS-NIR spectrum. For shortwave infrared (SWIR) wavelengths greater than 1.2µm, the DCC response is significantly influenced by cloud particle size and atmospheric absorption. Previous studies improved the characterization of the SWIR band DCC radiance, by using channel specific monthly empirical BRDFs as well as using the probability density function mean statistic to track the SWIR band stability. Also, that the DCC radiance is greater over land than over ocean and that the TWP DCC radiance has the lowest tropical DCC radiance. This study confirms and improves upon the previous studies. The study stratified the tropics regionally into land and ocean domains and applied their respective ocean-only and land-only empirical monthly BRDFs and normalized the land DCC BRDF corrected radiances with their ocean counterpart. This approach provided the most stable DCC response. The DCC BRDF corrected radiance monthly standard error was 0.24%, 0.62%, 0.59%, and 0.43% for the 1.24µm, 1.37µm, 1.61µm, and 2.25µm SWIR bands, which reduced the standard error 20%, 13%, 24%, and 26%, respectively when compared with the all-surface approach. The same approach was attempted over the Tropical Western Pacific and found not to be an improvement over the tropical domain. Further stratification of the tropical domain will need to balance sufficient sampling while accounting for regional DCC radiance differences.

Prathana Khakurel↗

DOE OSTI2022

Three-dimensional hierarchically porous MoS 2 foam as high-rate and stable lithium-ion battery anode

Architected materials that actively respond to external stimuli hold tantalizing prospects for applications in energy storage, wearable electronics, and bioengineering. Molybdenum disulfide, an excellent two-dimensional building block, is a promising candidate for lithium-ion battery anode. However, the stacked and brittle two-dimensional layered structure limits its rate capability and electrochemical stability. Here we report the dewetting-induced manufacturing of two-dimensional molybdenum disulfide nanosheets into a three-dimensional foam with a structural hierarchy across seven orders of magnitude. Our molybdenum disulfide foam provides an interpenetrating network for efficient charge transport, rapid ion diffusion, and mechanically resilient and chemically stable support for electrochemical reactions. These features induce a pseudocapacitive energy storage mechanism involving molybdenum redox reactions, confirmed by in-situ X-ray absorption near edge structure. The extraordinary electrochemical performance of molybdenum disulfide foam outperforms most reported molybdenum disulfide-based Lithium-ion battery anodes and state-of-the-art materials. This work opens promising inroads for various applications where special properties arise from hierarchical architecture.

25 ENERGY STORAGE↗

NASA NTRS1985

Ionized polycyclic aromatic hydrocarbons and the diffuse interstellar bands

A good case has recently been made that the unidentified infrared emission features arise from positively charged, partially hydrogenated polycyclic aromatic hydrocarbons (PAHs). In this letter it is suggested that these exceedingly stable ions are also the carriers of the diffuse interstellar bands. Although a large variety of PAH isomers is possible, the more condensed forms are substantially more stable than the less condensed forms and are expected to be dominant in the harsh interstellar environment. While neutral PAHs do not absorb in the visible, their ionized counterparts do. Because of their low ionization potential, a substantial fraction of the interstellar PAHs will be ionized. Visible spectra of the most stable PAH cations isolated in glasses are compared directly to the interstellar band spectra. Although the laboratory spectra are on an extremely compressed scale and solid state shifts are present, the comparison is favorable. Since little information is available concerning the spectroscopic properties of these species in the gas phase, a considerable amount of laboratory and theoretical work is called for to test this hypothesis.

Crawford, M. K.↗

NASA NTRS1974

Distributed educated throat stability bypass to increase the stable airflow range of a Mach 2.5 inlet with 60-percent internal contraction

The results of an experimental investigation to increase the stable airflow operating range of a supersonic mixed-compression inlet are presented. A distributed educated throat stability-bypass entrance configuration was tested. In terms of diffuser-exit corrected airflow, a large inlet stable airflow range of about 16.1 percent was obtained if a constant pressure was maintained in the bypass plenum. Limited unstart angle of attack data are presented.

Shaw, R. J.↗

NASA NTRS1974

Forward slanted slot throat stability bypass to increase the stable airflow range of a Mach 2.5 inlet with 60 percent internal contraction

The results of an experimental investigation to increase the stable airflow operating range of a supersonic mixed-compression inlet are presented. Two forward-slanted slot stability-bypass entrance configurations were tested. In terms of diffuser-exit corrected airflow, a large inlet stable airflow range of 18.5 percent was obtained with the superior configuration if a constant pressure was maintained in the bypass plenum. Limited unstart angle-of-attack data are presented.

Shaw, R. J.↗

DOE OSTI2025

In Situ Observation of Ion Migration in a Ferroelectric Ionic Conductor Rb-KTP during Thermal Annealing

Ion exchange in Rb-doped KTiOPO 4 has facilitated significant advancements in ferroelectric domain engineering, yet understanding the underlying mechanisms remains in its infancy. We perform time-of-flight secondary ion mass spectrometry analysis on multiple periodically ion-exchanged and periodically poled Rb-doped KTiOPO 4 samples under different temperatures and annealing durations. The results are compared between annealing in air, which involved ex situ annealing before periodic poling, and vacuum annealing conducted in situ after periodic poling. The Rb + diffusion profile after periodic ion exchange forms a tooth-shaped pattern. We show that in situ annealing causes a surface pinning effect on the nonpolar face, limiting Rb + migration along the polar axis at the surface. Once the pinned layer is removed through milling, the underlying Rb + diffusion is distinctively different from the surface. Additionally, the rate of Rb + diffusion during in situ annealing is linear, while the periodic domain structures remain stable after annealing. These results contribute to understanding the ionic diffusion process in a ferroelectric ionic conductor and using ion exchange to tailor the linear and nonlinear properties of KTiOPO 4 .

36 MATERIALS SCIENCE↗

DOE OSTI2025

Probing the Impact of Vacancy Diffusion on Void Dynamics at the Lithium Metal–Solid Electrolyte Interface

Lithium (Li) metal-based solid-state batteries (SSBs) are considered promising candidates for next-generation energy storage due to their superior energy density and enhanced safety compared to conventional Li-ion systems. However, their practical application is limited by challenges such as void formation at the Li-solid electrolyte (SE) interface, which disrupts ion transport and accelerates interfacial degradation. This work investigates how the coupled effects of electro-dissolution kinetics and surface diffusion at the Li metal surface govern the evolution of interfacial morphology during stripping. This work examines the influence of three distinct surface diffusion modes, which are terrace diffusion, step diffusion, and interlayer diffusion, on maintaining interfacial stability. In addition, how the dominant surface diffusion mechanism can overcome the contact loss due to high reaction kinetics is explored. Furthermore, the roughness of the Li metal anode surface is quantified, and the influence of different diffusion mechanisms on the evolution of the dynamic solid–solid interface is examined. The critical role of temperature in enhancing Li surface diffusivity and expanding the regime of stable contact is highlighted. By identifying distinct regimes of interface stability, this study analyzes how non-uniform electrochemical dynamics dictate void morphology evolution and interfacial contact. These insights offer guiding principles for engineering robust Li–SE interfaces in SSBs.

lithium metal anode↗

NASA NTRS1989

Solution techniques for incompressible flow problems

A three-step Petrov-Galerkin (PG)/operator spliting scheme for the time-dependent incompressible Navier-Stokes equations is proposed. Each time step is split into two Stokes problems and one nonlinear convection-diffusion problem. Using a PG technique on the two outer Stokes problems ensures a stable scheme despite equal-order interpolation, while using a streamline upwind PG scheme on the inner convection-diffusion problem ensures a numerically stable solution at high Reynolds numbers. Numerical tests of this method have been carried out.

Tezduyar, T. E.↗

NASA NTRS2026

Long-Term Evaluation of Landsat 9 Oli Data Product Uniformity at Focal Plane Module-Boundaries Using Earth Scenes

The uniformity performance characteristic in remote sensing data products is a metric that helps evaluate how an image accurately represents radiometric responses to geophysical variability at the Earth’s surface or within the atmosphere. These uniformity attributes are used in Earth remote sensing science applications such as investigating water quality, land-cover/land-use classifications, and crop health assessments. To ensure these applications perform effectively, it is crucial to maintain and regularly assess the uniformity of calibrated remote sensing data products. In the Landsat missions, data from the onboard radiometric reference Solar diffuser device are used as the standard approach to derive the calibration parameters, ensuring the maintenance of both absolute radiance and radiometric uniformity through quarterly updates. This publication presents an alternative approach that leverages Earth scene data to assess the on-orbit uniformity performance of the Landsat 9 (L9) mission. The analysis characterizes uniformity at a specific set of spatial positions (the focal-plane boundary zones) that are intrinsic to the Operational Land Imager (OLI) focal plane design. By employing these Earth data statistics, the article further explores the temporal trends in the radiometric uniformity results. The results shown in this article demonstrate that for pushbroom imaging design systems with staggered sensor chip focal plane architectures, the co-registered pixels, i.e., overlapping measurements of the same ground target viewed by different detectors, offer a self-contained mechanism for assessing product uniformity. Remarkably, this alternative approach achieves a level of radiometric quality comparable to that delivered by a stable, well-characterized onboard Solar diffuser calibration device. The findings demonstrate the potential and capability of such Earth scene statistics in maintaining radiometric uniformity in calibrated data products to better than 1% (1-sigma) throughout the mission’s operational lifetime.

trend↗

NASA NTRS1974

Distributed porous throat stability bypass to increase the stable airflow range of a Mach 2.5 inlet with 60 percent internal contraction

The results of an experimental investigation to increase the stable airflow operating range of a supersonic, mixed-compression inlet with 60-percent internal contraction are presented. Various distributed-porous, throat stability-bypass entrance configurations were tested. In terms of diffuser-exit corrected airflow, a large inlet stable airflow range of about 25 percent was obtained with the optimum configuration if a constant pressure was maintained in the by-pass plenum. The location of the centerbody bleed region had a decided effect on the overall inlet performance. Limited unstart angle-of-attack data are presented.

Shaw, R. J.↗