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NASA NTRS2017

Remote Sensing of Crystal Shapes in Ice Clouds

Ice crystals in clouds exist in a virtually limitless variation of geometries. The most basic shapes of ice crystals are columnar or plate-like hexagonal prisms with aspect ratios determined by relative humidity and temperature. However, crystals in ice clouds generally display more complex structures owing to aggregation, riming and growth histories through varying temperature and humidity regimes. Crystal shape is relevant for cloud evolution as it affects microphysical properties such as fall speeds and aggregation efficiency. Furthermore, the scattering properties of ice crystals are affected by their general shape, as well as by microscopic features such as surface roughness, impurities and internal structure. To improve the representation of ice clouds in climate models, increased understanding of the global variation of crystal shape and how it relates to, e.g., location, cloud temperature and atmospheric state is crucial. Here, the remote sensing of ice crystal macroscale and microscale structure from airborne and space-based lidar depolarization observations and multi-directional measurements of total and polarized reflectances is reviewed. In addition, a brief overview is given of in situ and laboratory observations of ice crystal shape as well as the optical properties of ice crystals that serve as foundations for the remote sensing approaches. Lidar depolarization is generally found to increase with increasing cloud height and to vary with latitude. Although this variation is generally linked to the variation of ice crystal shape, the interpretation of the depolarization remains largely qualitative and more research is needed before quantitative conclusions about ice shape can be deduced. The angular variation of total and polarized reflectances of ice clouds has been analyzed by numerous studies in order to infer information about ice crystal shapes from them. From these studies it is apparent that pristine crystals with smooth surfaces are generally inconsistent with the data and thus crystal impurity, distortion or surface roughness is prevalent. However, conclusions about the dominating ice shapes are often inconclusive and contradictory and are highly dependent on the limited selection of shapes included in the investigations. Since ice crystal optical properties are mostly determined by the aspect ratios of the crystal components and their microscale structure, it is advised that remote sensing applications focus on the variation of these ice shape characteristics, rather than on the macroscale shape or habit. Recent studies use databases with nearly continuous ranges of crystal component aspect ratio and-or roughness levels to infer the variation of ice crystal shape from satellite and airborne remote sensing measurements. Here, the rationale and results of varying strategies for the remote sensing of ice crystal shape are reviewed. Observed systematic variations of ice crystal geometry with location, cloud height and atmospheric state suggested by the data are discussed. Finally, a prospective is given on the future of the remote sensing of ice cloud particle shapes.

clouds↗

NASA NTRSDate not supplied

Multiscale Failure Analysis of a 3D Woven Unit Cell Containing Defects

Multiscale failure simulations have been performed for a Three-dimensional woven composite unit cell considering five, or more, length scales spanning the woven composite mesoscale to the sub-microscale voids. The multiscale recursive micromechanics approach, which enables recursive integration of general micromechanics theories over an arbitrary number of length scales, has been employed within the NASA Multiscale Analysis Tool. The multiscale model uses both the generalized method of cells and Mori-Tanaka micromechanics theories, and considers failure in the constituent materials using a simple damage model. Baseline results, containing distributed voids, are compared to uniaxial experimental data for an AS4 carbon fiber/ RTM6 epoxy matrix 3D orthogonal woven composite with good agreement in terms of global stiffness and global failure stress. The simulations demonstrate that the 3D woven composite exhibits damage tolerance through sustaining increasing axial load far beyond the first initiation of damage. The multiscale model is used to examine the nonlinear response of the material to other loading conditions. Case studies, motivated by X-ray computed tomography data, are presented on the effects of manufacturing induced voids and cracks.

3D woven↗

NASA NTRS1992

Model of brittle matrix composite toughening based on discrete fiber reinforcement

An analytical approach for the analysis of the effectiveness of fiber reinforcement in brittle matrix composites is presented. The analytical method allows consideration of discrete fiber distribution and examination of the development of crack growth parameters on microscale. The problem associated with the bridging zone development is addressed here; therefore, the bridging zone is considered to be smaller than the main preexisting crack, and the small scale approach is used. The mechanics of the reinforcement is accurately accounted for in the process zone of a growing crack. Closed form solutions characterizing the initial failure process are presented for linear and nonlinear force - fiber pullout displacement relationships. The implicit exact solution for the extended bridging zone is presented as well.

Rubinstein, Asher A.↗

NASA NTRSDate not supplied

Multiscale Modeling of Fracture Strength in Fibrous Thermal Protection System Materials

This work presents a multiscale modeling approach to predict the fracture strength of fibrous Thermal Protection System (TPS) materials. The model assumes that system failure is initiated at the joints between individual fibers. We investigated three distinct TPS compositions: amorphous silica, alumina and aluminosilicate fibers. Molecular dynamics (MD) simulations were employed to determine the fracture strength values of these fiber joints for both material systems. These fracture strength values were then integrated into simulations of 3D randomly populated fiber structures, where tensile load transfer occurs through the fiber joints. These microscale properties are upscaled through a renormalization approach [1] to predict macroscale tensile strength of 3D random fiber networks, accounting for joint-dominated failure and effective load-bearing area. The study concludes by demonstrating the resulting strength variation as a function of material composition, fiber density, and morphology. We also show validation of results by comparing them against explicit fiber finite element (FE) modeling [2] where fiber joint fracture is represented by cohesive elements.

Jaehyun Cho↗

DOE OSTI2021

Structure Development of the Interphase between Drying Cellulose Materials Revealed by In Situ Grazing-Incidence Small-Angle X-ray Scattering

The nano- to microscale structures at the interface between materials can define the macroscopic material properties. These structures are extremely difficult to investigate for complex material systems, such as cellulose-rich materials. The development of new model cellulose materials and measuring techniques has opened new possibilities to resolve this problem. We present a straightforward approach combining micro-focusing grazing-incidence small-angle X-ray scattering and atomic force microscopy (AFM) to investigate the structural rearrangements of cellulose/cellulose interfaces in situ during drying. Based on the results, we propose that molecular interdiffusion and structural rearrangement play a major role in the development of the properties of the cellulose/cellulose interphase; this model is representative of the development of the properties of joint/contact points between macroscopic cellulose fibers.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Direct numerical simulations of activation and deactivation in turbulent atmospheric clouds

Significant knowledge gaps remain in our understanding of turbulence–cloud–aerosol interactions in the Earth's atmosphere, and direct numerical simulation (DNS) has increasingly become an indispensable tool to fill such critical knowledge gaps. Here, this study is an extension of our previous DNS model [Gao et al., J. Geophys. Res.: Atmos., 123(4), 2194–2214 (2018)], with a focus on the activation of aerosol particles into cloud droplets and deactivation of cloud droplets into aerosol particles in a microscale cloud environment. The effects of turbulence intensity, particle curvature, and solute, as well as the initial distributions of the aerosol particles (monodisperse or polydisperse) are investigated. The governing equations for the flow of air, temperature, and water vapor mixing ratio are solved numerically in the Eulerian fashion, assuming homogeneous and isotropic turbulence. The dynamics of the aerosol and cloud particles are calculated with the Lagrangian particle tracking method. The results show that the deviations of the thermodynamic variables from their respective means are significantly reduced, the activation process appears to be delayed, and the deactivation process occurs more rapidly, as the turbulence intensity is increased. The inclusion of particle curvature and solute effects, as well as polydispersity, tends to retard the activation of aerosols into cloud droplets. It is also observed that fluctuations in supersaturation broaden the spread of particle radii, and the broadening is followed by a narrowing as turbulent homogenization reduces thermodynamic fluctuations over time.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1995

Observational and numerical studies of extreme frontal scale contraction

The general objective of this effort is to increase understanding of how frontal scale contraction processes may create and sustain intense mesoscale precipitation along intensifying cold fronts. The five-part project (an expansion of the originally proposed two-part project) employed conventional meteorological data, special mesoscale data, remote sensing measurements, and various numerical models. First an idealized hydrostatic modeling study of the scale contraction effects of differential cloud cover on low-level frontal structure and dynamics was completed and published in a peer-reviewed journal. The second objective was to complete and publish the results from a three dimensional numerical model simulation of a cold front in which differential sensible heating related to cloud coverage patterns was apparently crucial in the formation of a severe frontal squall line. The third objective was to use a nonhydrostatic model to examine the nonlinear interactions between the transverse circulation arising from inhomogeneous cloud cover, the adiabatic frontal circulation related to semi-geostrophic forcing, and diabatic effects related to precipitation processes, in the development of a density current-like microstructure at the leading edge of cold fronts. Although the development of a frontal model that could be used to initialize such a primitive equation model was begun, we decided to focus our efforts instead on a project that could be successfully completed in this short time, due to the lack of prospects for continued NASA funding beyond this first year (our proposal was not accepted for future funding). Thus, a fourth task was added, which was to use the nonhydrostatic model to test tentative hypotheses developed from the most detailed observations ever obtained on a density current (primarily sodar and wind profiler data). These simulations were successfully completed, the findings were reported at a scientific conference, and the results have recently been submitted to a peer-reviewed journal. The fifth objective was to complete the analysis of data collected during the Cooperative Oklahoma Profiler Studies (COPS-91) field project, which was supported by NASA. The analysis of the mesoscale surface and sounding data, Doppler radar imagery, and other remote sensing data from multi frequency wind profiler, microwave radiometer, and the Radio Acoustic Sounding System has been completed. This study is a unique investigation of processes that caused the contraction of a cold front to a microscale zone exhibiting an undular bore-like structure. Results were reported at a scientific conference and are being prepared for publication. In summary, considerable progress has been achieved under NASA funding in furthering our understanding of frontal scale contraction and density current - gravity wave interaction processes, and in utilizing models and remotely sensed data in such studies.

Koch, Steven E.↗

NASA NTRS1993

Micro- to macroscale perspectives on space plasmas

The Earth's magnetosphere is the most accessible of natural collisionless plasma environments; an astrophysical plasma 'laboratory'. Magnetospheric physics has been in an exploration phase since its origin 35 years ago but new coordinated, multipoint observations, theory, modeling, and simulations are moving this highly interdisciplinary field of plasma science into a new phase of synthesis and understanding. Plasma systems are ones in which binary collisions are relatively negligible and collective behavior beyond the microscale emerges. Most readily accessible natural plasma systems are collisional and nearest-neighbor classical interactions compete with longer-range plasma effects. Except for stars, most space plasmas are collisionless, however, and the effects of electrodynamic coupling dominate. Basic physical processes in such collisionless plasmas occur at micro-, meso-, and macroscales that are not merely reducible to each other in certain crucial ways as illustrated for the global coupling of the Earth's magnetosphere and for the nonlinear dynamics of charged particle motion in the magnetotail. Such global coupling and coherence makes the geospace environment, the domain of solar-terrestrial science, the most highly coupled of all physical geospheres.

Eastman, Timothy E.↗

DOE OSTI2023

Energy coupling and stoichiometry of Zn 2+ /H + antiport by the prokaryotic cation diffusion facilitator YiiP

YiiP from Shewanella oneidensis is a prokaryotic Zn 2+ /H + antiporter that serves as a model for the Cation Diffusion Facilitator (CDF) superfamily, members of which are generally responsible for homeostasis of transition metal ions. Previous studies of YiiP as well as related CDF transporters have established a homodimeric architecture and the presence of three distinct Zn 2+ binding sites named A, B, and C. In this study, we use cryo-EM, microscale thermophoresis and molecular dynamics simulations to address the structural and functional roles of individual sites as well as the interplay between Zn 2+ binding and protonation. Structural studies indicate that site C in the cytoplasmic domain is primarily responsible for stabilizing the dimer and that site B at the cytoplasmic membrane surface controls the structural transition from an inward facing conformation to an occluded conformation. Binding data show that intramembrane site A, which is directly responsible for transport, has a dramatic pH dependence consistent with coupling to the proton motive force. A comprehensive thermodynamic model encompassing Zn 2+ binding and protonation states of individual residues indicates a transport stoichiometry of 1 Zn 2+ to 2–3 H + depending on the external pH. This stoichiometry would be favorable in a physiological context, allowing the cell to use the proton gradient as well as the membrane potential to drive the export of Zn 2+ .

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Micro on a macroscale: relating microbial-scale soil processes to global ecosystem function

ABSTRACT Soil microorganisms play a key role in driving major biogeochemical cycles and in global responses to climate change. However, understanding and predicting the behavior and function of these microorganisms remains a grand challenge for soil ecology due in part to the microscale complexity of soils. It is becoming increasingly clear that understanding the microbial perspective is vital to accurately predicting global processes. Here, we discuss the microbial perspective including the microbial habitat as it relates to measurement and modeling of ecosystem processes. We argue that clearly defining and quantifying the size, distribution and sphere of influence of microhabitats is crucial to managing microbial activity at the ecosystem scale. This can be achieved using controlled and hierarchical sampling designs. Model microbial systems can provide key data needed to integrate microhabitats into ecosystem models, while adapting soil sampling schemes and statistical methods can allow us to collect microbially-focused data. Quantifying soil processes, like biogeochemical cycles, from a microbial perspective will allow us to more accurately predict soil functions and address long-standing unknowns in soil ecology.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Multifunctional textured graphene-based coatings on elastomeric gloves for chemical protection

Nanotechnology offers a variety of new tools for the design of next-generation personal protective equipment (PPE). One example is the use of two-dimensional materials as coatings that enhance the performance and ergonomics of elastomeric gloves designed to protect users from hazardous chemicals. Desirable features in such coatings may include molecular barrier function, liquid droplet repellency, stretchability for compatibility with the elastomer, breathability, and an ultrathin profile that preserves the user's manual dexterity and tactile sensation. The present work explores the potential of engineered graphene-based films with out-of-plane texturing as a novel platform to meet these multifold requirements. Graphene-based films in different formulations were fabricated from water-borne inks by vacuum filtration and solution casting methods on glove-derived nitrile rubber substrates. The various coatings were then subjected to tests of molecular permeation by model volatile organic compounds, droplet contact angle, breathability, and mechanical stability during stretching and solvent immersion. The films dramatically improve the barrier properties of glove-derived nitrile. The out-of-plane graphene texturing imparts stretchability through microscale folding/unfolding, while also enhancing droplet repellency in some cases through a lotus-like roughening effect. The combined results suggest that engineered textured graphene-based films are a promising platform for creating multifunctional coatings for a next generation of chemically protective gloves and other elastomer-based PPE.

36 MATERIALS SCIENCE↗

NASA NTRS1981

The variability of winds over the ocean

The present state of knowledge of the synoptic scale, the mesoscale, and the microscale in describing the winds, especially over the ocean, is summarized both in terms of conventional data and remotely sensed properties and effects of the winds. A description is then given of some of the areas posing problems in modeling each scale and interpreting the various kinds of measurements that are made. It is noted that not much is known about the wind, especially in the mesoscale, that affects the ability to use remotely sensed data in an optimum way.

Pierson, W. J.↗

NASA NTRS1994

Microscale hydrodynamics near moving contact lines

The hydrodynamics governing the fluid motions on a microscopic scale near moving contact lines are different from those governing motion far from the contact line. We explore these unique hydrodynamics by detailed measurement of the shape of a fluid meniscus very close to a moving contact line. The validity of present models of the hydrodynamics near moving contact lines as well as the dynamic wetting characteristics of a family of polymer liquids are discussed.

Garoff, Stephen↗

DOE OSTI2025

Characterization of Arsenic and Selenium in Coal Fly Ash to Improve Evaluations for Disposal and Reuse Potential (Final Technical Report)

Coal fly ash is a high volume waste material that is discarded in landfills and surface water impoundments across the U.S. and is also widely recycled for a variety of applications. The leaching of potential of contaminants of concern, such as arsenic (As) and selenium (Se), is often the driver of risk assessments for coal ash disposal and reuse. The extent of leachable As and Se depends on several factors related to environmental conditions and fly ash characteristics. Previous studies employed various methods to delineate the concentration, chemical form, and distribution of As and Se in fly ash materials. However, few studies have attempted to directly correlate these properties to mobilization parameters relevant to disposal and reuse. Instead, the coal residuals industries often rely upon standardized leaching protocols that can be laborious or involve hazardous chemicals. The goals of the project were to: 1) Develop and evaluate a characterization protocol that can be used to screen fly ash samples for leachability of As and Se; 2) Characterize As, Se, and associated constituents of fly ash particles at multiple length scales (nanometer to micrometer) to determine if elemental associations differ as a function of the resolution of characterization; and 3) Establish a predictive model for the chemical composition of coal ash produced annually at major U.S. coal fired power facilities on 50-year national coal supply records. For the first objective, we performed leaching experiments with 52 fly ash samples collected from 15 different U.S. power plants and representing coal feedstocks from the three major domestic coal regions. For this work, we assessed the mobilization potential of As and Se in fly ash based on standardized leaching protocols and performed multivariate and lasso regression analyses to explore correlations of leachable As and Se contents with characteristics such as major element contents, loss on ignition (LOI) and pH. The results of regression models indicated that major elements (Fe, Ca, Al) for a wide range of fly ashes can serve as predictor variables for the leaching potential of As, but not for Se. LOI and pH were not important predictive variables in the models. Both regression approaches resulted in relatively strong fits for leachable As (correlation coefficient R 2 = 0.78 for both models) compared to models for leachable Se (R 2 = 0.49). Overall, these results suggest that correlation models combined with on-site elemental analysis with portable analyzers may enable a screening method for leachable As in coal ash. For the second objective, we utilized nanoscale 2-D imaging (30-50 nm spot size) with the Hard X-ray Nanoprobe (HXN) in combination with microprobe X-ray capabilities (~5 µm resolution) to determine As and Se elemental associations in fly ash particles. Speciation of As and Se was also measured at the nano- to microscale with X-ray absorption spectroscopy. The enhanced resolution of HXN showed As and Se that were diffusely located around or comingled with Ca- and Fe-rich particles. The results also showed nanoparticles of Se attached to the surface of fly ash grains. Overall, a comparison of As and Se species across scales highlights the heterogeneity and complexity of chemical associations for these trace elements of concern in coal fly ash. For the final objective, we developed a predictive model for major element composition of coal ash in reserve at disposal sites of major U.S. coal fired power plants. This model was constructed from coal purchase records of 705 power stations from 1973-2022 and was trained on coal ash composition data showing that coal ash elemental composition is strongly associated with the source of feedstock coal. The model showed regional shifts in the major element contents of ash produced by power plants in the last 50 years, particularly for calcium and iron (expressed as %CaO and %Fe 2 O 3 ), as coal-fired power stations changed their source of coal over this time frame. Our approach enables an estimation of coal ash chemical composition that is stored in waste impoundments at individual power stations. Such information can help delineate the regional market potential for material applications that would utilize coal ash harvested from disposal sites across the U.S.

01 COAL, LIGNITE, AND PEAT↗

NASA NTRS2016

InSitu SEM Investigation of Microstructural Damage Evolution and Strain Relaxation in a Melt Infiltrated SiC/SiC Composite

With CMC components poised to complete flight certification in turbine engines on commercial aircraft within the near future, there are many efforts within the aerospace community to model the mechanical and environmental degradation of CMCs. Direct observations of damage evolution are needed to support these modeling efforts and provide quantitative measures of damage parameters used in the various models. This study was performed to characterize the damage evolution during tensile loading of a melt infiltrated (MI) silicon carbide reinforced silicon carbide (SiC/SiC) composite. A SiC/SiC tensile coupon was loaded to a maximum global stress of 30 ksi in a tensile fixture within an SEM while observations were made at 5 ksi increments. Both traditional image analysis and DIC (digital image correlation) were used to quantify damage evolution. With the DIC analysis, microscale damage was observed at the fiber-matrix interfaces at stresses as low as 5 ksi. First matrix cracking took place between 20 and 25 ksi, accompanied by an observable relaxation in strain near matrix cracks. Matrix crack opening measurements at the maximum load ranged from 200 nm to 1.5 m. Crack opening along the fiber-matrix interface was also characterized as a function of load and angular position relative to the loading axis. This characterization was funded by NASA GRC and was performed to support NASA GRC modeling of SiC/SiC environmental degradation

testing↗

DOE OSTI2021

Numerical Simulation of Container Breach and Airborne Release of Solids Due to Mechanical Insults

Throughout U.S. Department of Energy (DOE) complexes, safety engineers employ the five-factor formula to calculate the source term (ST) that includes parameters of airborne release fraction (ARF), respirable fraction (RF) and damage ratio (DR). Limited experimental data on fragmentation of solids, such as ceramic pellets (i.e., PuO2), and container breach due to mechanical insults (i.e., drop and forklift impact), can be supplemented by modeling and simulation using high fidelity computational tools to estimate these parameters. This paper presents the use of Sandia National Laboratories' SIERRA solid mechanics (SM) finite element code to investigate the behavior of the widely utilized waste container (such as 7A Drum) subject to a range of free fall impact and puncture scenarios. The resulting behavior of the container is assessed, and the estimates are presented for bounding DRs from calculated breach areas for the various accident conditions considered. This paper also describes a novel multiscale constitutive model recently implemented in SIERRA/SM that simulates the fracture of brittle materials such as PuO 2 and determines ARF during the fracture process. Furthermore, comparisons are made between model predictions and simple bench-top experiments.

61 RADIATION PROTECTION AND DOSIMETRY↗

NASA NTRS1999

Review of Recent Results in Global MHD Modeling: ISTP Project Scientist for Theory and Ground-Based Observations

Global MHD (magnetohydrodynamic) simulations have shown a remarkable ability to describe the global dynamics of geospace. The limitations of the physical approximations underlying MHD would seem to limit the effectiveness of these codes, since kinetic and hybrid effects should manifest themselves by cross-scale coupling from microscales to mesoscales to global scales. However three effects appear to allow the codes to operate much more successfully than one would at first believe. They are:(l) the globally self-consistent nature of the codes with very well defined exterior boundary conditions (the solar wind) which allows the proper intercommunication between magnetospheric regions on MHD scales, (2) the control by global dynamics of the boundary layer locations where micro and meso scale processes operate, and (3) the critical role of numerical diffusion and with a sufficiently high resolution grid, the use of an empirical resistivity term, which if set at a level where the major magnetosphere boundaries properly calibrate against their observed locations, appear to well represent the effects of kinetic and hybrid processes on the global dynamics. The effectiveness of the global MHD codes, which have been developed under the ISTP mission, in describing Wind, Polar and Geotail observations, as well as ground-based observations are described. Particular emphasis is placed upon the Polar imaging data which when combined with ground-based data and global MHD-based synthetic aurora and convection patterns provide a powerful tool in understanding the final link in the solar-terrestrial chain: coupling into the atmosphere and ionosphere.

Curtis, Steven↗

NASA NTRS1985

Lidar observations of the planetary boundary layer

The application of an airborne downward-looking lidar to the study of organized cellular convection in the planetary boundary layer (PBL) over the ocean is described. The lidar consisted of a frequency doubled Nd-YAG 530 mm-wavelength laser whose axis was aligned colinearly with the optical axis of an all-reflecting 40 mm-diameter Newtonian telescope. The airborne lidar provided a unique observation of both microscale and mesoscale variations of the PBL top. The lidar data, presented as constant backscatter isopleth soundings, provide a visual indication of the presence of vertically organized convection cells. Comparisons of the lidar-derived PBL structure with both a conceptual model of the PBL and laboratory simulations of Deardorf et al. (1980) of a developing convective PBL showed that the observations are consistent with a model of mixing in the PBL, which involves a field of organized updrafts separated by downdrafts.

Melfi, S. H.↗