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DOE OSTI2025

Crystallization Mechanisms of Poly(vinylidene Fluoride- co -chlorotrifluoroethylene): Nucleation Transitions, Growth Kinetics, and Microstructure Evolution

The crystallization kinetics of FK-800, a commercial semicrystalline copolymer of chlorotrifluoroethylene and vinylidene fluoride (poly(CTFE-co-VDF)), dictate its microstructure and functional performance. Crystallization occurs between the glass transition (T g ≈ 31 °C) and melting point (T m ≈ 110 °C), with grain boundaries playing a key role in applications such as memristors, where they regulate filament growth. This study integrates in situ atomic force microscopy (AFM), grazing-incidence wide-angle X-ray scattering (GIWAXS), and differential scanning calorimetry (DSC) to characterize nucleation, growth, and morphology across the full crystallization window. Hot-stage AFM reveals a transition from homogeneous to heterogeneous nucleation near 45 °C and a shift from reaction-limited to diffusion-limited growth above 60 °C. Kinetics are analyzed using Lauritzen–Hoffman, Turnbull–Fisher, and Avrami models to extract surface free energies and activation barriers. A multiscale modeling framework is developed in which nucleation densities and growth rates measured by AFM are used to reconstruct Avrami kinetics, which are then validated against coverage data, and extrapolated to predict bulk crystallization behavior observed by DSC. GIWAXS confirms a primarily flat-on chain orientation at all temperatures, linking orientation to domain morphology. This integrative approach quantitatively connects nanoscale crystallization dynamics with macroscopic phase evolution, establishing a quantitative framework for modeling crystallization across time, temperature, and length scales.

Crystallization↗

NASA NTRS1978

Present status of marine gravity

The technique of measuring gravity at sea was greatly improved by the development of spring-type surface-ship gravimeters which can be operated in a wide variety of sea conditions. A brief review of the most recent developments in marine gravity is presented. The extent of marine gravity data coverage is illustrated in a compilation map of the world's free-air gravity anomaly maps of the world's oceans. A brief discussion of some of the main results in the interpretation of marine gravity is given. Some comments made on recent determinations of the gravity field in oceanic regions using satellite radar altimeters are also presented.

Watts, A. B.↗

NASA NTRS1982

Low gain and steerable vehicle antennas for communications with land mobile satellite

Current development activities at JPL for ground mobile vehicle antennas to be used with the Land Mobile Satellite Service (LMSS) system are described. Both low gain and electronically steerable high gain type antennas are discussed in terms of their design concept and RF performance. For the low gain type, three classes of antennas are under various stages of development. These are the crossed-drooping dipole, quadrifilar helix, and microstrip patch designs. The antennas are intended to provide circularly-polarized radiation with a minimum of 3-dB gain in the angular region from 19 degrees to 60 deg from the horizon in elevation plane and with an omnidirectional pattern in azimuthal plane. For the electronically steerable high gain type, circularly-polarized microstrip patch phased arrays formed on a planar surface and on the surface of a truncated cone are under study. The arrays are intended to provide a minimum of 12 dB gain in the same angular region in elevation plane at all azimuthal angles. This coverage is accomplished by scanning the high gain pencil beam in both elevation and azimuthal directions. Both types of antennas are to transmit at 821-831 MHz band and to receive at 866-876 MHz band. They must be of low cost design and reasonably conformal to the vehicle.

Woo, K.↗

NASA NTRS1988

Infrared observations of outer planet satellites

This task supports IR observations of the outer planet satellites. These data provide vital information about the thermophysical properties of satellite surfaces, including internal heat sources for Io. Observations include both broad and narrow band measurementsin the 2 to 20 micrometer spectral range. The program in the last year has aimed at obtaining lonitude coverage on Io to establish stability of hot spot patterns previously reported. Several runs produced the most complete data set for an apparition since the start of the program. Unfortunately, bad weather limited coverage of key longitude ranges containing the largest known hot spot Loki. Among the preliminary results is the observation of an outburst in Io's thermal flux that was measured at 4.8, 8.7 and 20 micrometer. Analysis of the data has given the best evidence to date of silicate volcanism on Io; this is one of the most significant pieces of the puzzle as to the relative roles of silicate and sulfur volcanism on Io. Researchers are collaborating with J. Goguen (NRC RRA to finish reduction of mutual event data, which have already improved ephermeris information for the satellites. The data appear to place significant limits on the characteristics of any leading side hot spots.

Johnson, T. V.↗

NASA NTRSDate not supplied

MISR Level 2 Surface parameters (MIL2ASLS_V1)

The Land Surface data include bihemispherical and directional-hemispherical reflectances (albedo), hemispherical directional and bidirectional reflectance factors (BRF), BRF model parameters, leaf-area index (LAI), fraction of photosynthetically active radiation (FPAR), and normalized difference vegetation index (NDVI) on a 1.1 km grid. The land surface data include hemispherical directional reflectance factor, bihemispherical reflectance (i.e., albedo), bidirectional reflectance factor, directional hemispherical reflectance, BRF model parameters, FPAR, and terrain-referenced view and illumination angles. [Location=GLOBAL LAND] [Temporal_Coverage: Start_Date=2000-02-24; Stop_Date=] [Spatial_Coverage: Southernmost_Latitude=-90; Northernmost_Latitude=90; Westernmost_Longitude=-180; Easternmost_Longitude=180] [Data_Resolution: Latitude_Resolution=1.1 km - 17.6 km; Longitude_Resolution=1.1 km - 17.6 km; Horizontal_Resolution_Range=1 km - < 10 km or approximately .01 degree - < .09 degree; Temporal_Resolution=about 15 orbits/day].

DIRECTIONAL HEMISPHERICAL REFLECTANCE↗

NASA NTRSDate not supplied

MISR Level 2 Surface parameters (MIL2ASLS_V2)

BIDIRECTIONAL REFLECTANCE FACTOR↗

NASA NTRS1981

On the sensitivity of numerical weather prediction to remotely sensed marine surface wind data - A simulation study

The reported investigation has the objective to assess the potential impact on numerical weather prediction (NWP) of remotely sensed surface wind data. Other investigations conducted with similar objectives have not been satisfactory in connection with a use of procedures providing an unrealistic distribution of initial errors. In the current study, care has been taken to duplicate the actual distribution of information in the conventional observing system, thus shifting the emphasis from accuracy of the data to the data coverage. It is pointed out that this is an important consideration in assessing satellite observing systems since experience with sounder data has shown that improvements in forecasts due to satellite-derived information is due less to a general error reduction than to the ability to fill data-sparse regions. The reported study concentrates on the evaluation of the observing system simulation experimental design and on the assessment of the potential of remotely sensed marine surface wind data.

Cane, M. A.↗

DOE OSTI2023

Calorimetric Energies and Chemical Potentials of Metal Atoms in Catalytic Nanoparticles on Oxide and Carbon Supports: Improved Size Dependencies and Adhesion Energies

The chemical potential of metal atoms, μM, in supported metal nanoparticles is an important descriptor related to both the catalytic activity and the stability of the nanoparticles. Here, we derive an expression relating μM to the radius of the particle’s contact area with the support and the adhesion energy at the metal/support interface (E adh ) that assumes the particles have the shape of spherical caps but of arbitrary contact angle with the support (θ c ) and includes an empirical correction for the increase in metal surface energy and adhesion energy with decreasing radius of curvature. We then show that, at any assumed contact angle, we can simultaneously fit previously reported measurements of both calorimetric μ M (from heats of metal vapor adsorption during nanoparticle growth by vapor deposition) versus metal coverage data and the He + low-energy ion scattering (LEIS) intensities for the metal and/or support versus metal coverage (using our recently developed spherical cap model for quantitative LEIS intensities), to determine the particle size versus coverage and E adh . Only one choice of contact angle gives a pair of values for contact angle and E adh , which is consistent with the Young–Dupré equation for the equilibrium shape of a spherical particle. At this equilibrium shape, we then applied this spherical cap model (SCM) to reanalyze microcalorimetric metal chemical potentials and LEIS signals versus coverage data for nine metal/support combinations that were previously analyzed by assuming that the particles had the shape of hemispherical caps, i.e., with a contact angle of 90°. We show that this revised approach gives close agreement with the calorimetric and LEIS data; the best-fit contact angles vary from 64 to 84°, correcting the earlier assumption of 90°. Furthermore, these results provide significant accuracy improvements in particle size versus coverage, metal chemical potential versus size and coverage, metal/support adhesion energies and contact angles for Cu, Ag and Au on CeO 2 (111), Ni on MgO(100), Ag on Fe 3 O 4 (111) and TiO 2 (100), and Ag, Ni and Pd on Ni-supported graphene. This revised approach is much more broadly applicable than the earlier hemispherical cap model (HCM).

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2025

Electrosynthesis of high purity ethylene using high-index facet Cu 2 O nanocrystals electrocatalyst

Electrochemical CO 2 reduction reaction (eCO2RR) to multi-carbon (C 2+ ) products with copper-based catalysts is often limited by poor selectivity. This challenge arises from the concurrent formation of various intermediates, dictated by the atomic arrangement and electronic properties of surface atoms. In this study, we found that copper (I) oxide (Cu 2 O) nanocrystals with 50 facets (50F-NC), predominantly featuring (211) facets that offers high density of under-coordinated sites, demonstrate superior ethylene (C 2 H 4 ) selectivity of 92% ± 2 with an overall current density of 212 mA/cm 2 at -650 mV vs RHE. Furthermore, after one month of storage in a 1 M KOH electrolyte, this catalyst demonstrated a C 2 H 4 Faradaic efficiency of 87% highlighting its stabile structure under strong alkaline environments. Here, operando electrochemical Raman spectroscopy revealed enhanced CO* intermediate coverage on the 50F-NC catalyst, correlating with improved C-C coupling. SEM, TEM, and XPS analyses, along with DFT calculations, suggested that Cu sites on the (211) facet of 50F-NC and those at the Cu/Cu 2 O interface formed in-situ due to the surface reconstruction during the reaction, are likely active sites for effective C-C coupling and sustained high-rate C 2 H 4 production.

Cu nano particle↗

NASA NTRS1974

Preliminary road alinement through the Great Kavir in Iran by repetitive ERTS-1 coverage

Access to the Great Kavir is generally limited to the period August through October when some salt crusts will support limited vehicular movement. The condition of the salt crusts and their parent sediments during the long wet season have been unknown. This absence of information about the surface of the Great Kavir has prevented an intensive study of a possible road alinement which could shorten the present route between northern and central Iran by 760 km. False color diazo composites of bands 4, 5, and 7 were prepared from positives of ERTS-1 MSS images taken of the Great Kavir. These scenes presented a record of the seasonal hydrologic changes that occurred from the dry to the wet season. During the period of maximum inundation and lowest bearing strengths, as inferred from the image of May 12, 1973, it was possible to select a preliminary road alinement that would avoid the wettest or roughest areas and take advantage of the best terrain and shortest distance. The eventual road alinement should be based on a longer record of observation and on-site investigations.

Krinsley, D. B.↗

DOE OSTI2025

Complete coverage fouling model for constant flux crossflow ultrafiltration and experimental validation

A complete coverage model is proposed to describe fouling in constant flux crossflow ultrafiltration. Constant flux crossflow fouling experiments were conducted using dilute latex bead suspensions and commercial poly(ether sulfone) flat sheet ultrafiltration membranes to investigate the influence of operating conditions on evolution of transmembrane pressure (ΔP, TMP) with time. Changes in permeate flux or crossflow rate had little influence on the normalized TMP profile at high latex bead concentration (i.e., above 25 ppm) because the membrane surface was covered with latex beads. At low concentration (i.e., below 25 ppm), increases in permeate flux or foulant concentration increased normalized ΔP. However, this increase in normalized ΔP with permeate flux or foulant concentration diminishes when the permeate flux/concentration is high enough to overwhelm particle removal due to crossflow. Furthermore, these results are in good agreement with the new complete coverage model which describes the influence of operating parameters on fouling better than the previous model.

36 MATERIALS SCIENCE↗

NASA NTRS1994

Heterogeneous Interactions of ClONO2 and HCl with Sulfuric Acid Tetrahydrate: Implications for the Stratosphere

The reaction probabilities for ClONO2+H2O- HOCl + HNO3 and ClONO2+ HCl Cl2 +HNO3 have been investigated on sulfuric acid tetrahydrate (SAT, H2SO4-4H2O)surfaces at temperatures between 190 and 230 K and at reactant concentrations that are typical in the lower stratosphere, using a fast-flow reactor coupled to a quadrupole mass spectrometer. The results indicate that the reaction probabilities as well as HCl uptake depend strongly on the thermodynamic state of SAT surface: they decrease significantly with decreasing H2O partial pressure at a given temperature, and decrease with increasing temperature at a given H2O partial pressure, as the SAT changes from the H2O-rich form to the H2SO4-rich form. For H2O-rich SAT at 195 K gamma(sub 1) approx. = -0.01 and gamma(sub 2) greater or equal to 0.1, whereas the values for H2SO4-rich SAT decrease by more than 2 orders of magnitude. At low concentrations of HCl, close to those found in the stratosphere, the amount of HCl taken up by H2O-rich SAT films corresponds to a coverage of the order of a tenth of a monolayer (approx. = 10(exp 14) molecules/sq cm); H2SO4-rich SAT films take up 2 orders of magnitude less HCl (les than 10(exp 12) molecules/sq cm). Substantial HCl uptake at high HCl concentrations is also observed, as a result of surface melting. The data reveal that frozen stratospheric sulfate aerosols may play an important role in chlorine activation in the winter polar stratosphere via processes similar to those occurring on the surfaces of polar stratospheric cloud particles.

Zhang, Renyi↗

DOE OSTI2023

Interaction energy and isosteric heat of adsorption between hydrogen and magnesium diboride

Hydrogen storage materials form a crucial research topic for future energy utilization employing hydrogen and among those of interest magnesium diboride (MgB 2 ) has shown its prevalence. In this study, a first-principles analytical adsorption model of one hydrogen molecule in the vicinity of various magnesium diboride crystal surfaces was developed in order to obtain surface thermodynamic properties as a function of molecular and lattice properties. Henry's law constant (K H ) and isosteric heat of adsorption (ΔH ads ) indicators of the affinity between a gaseous molecule and a solid surface are thus calculated. The results in this paper not only address questions pertaining to the first stage of hydrogen storage processes but also advance the understanding of physisorption thermodynamics of a neutral molecule (H 2 ) coming in contact with a layered metallic-like surface (MgB 2 ). Although the model is built from a framework of classical calculations, quantum effects are incorporated as the fractional charge of the ions on the free surfaces, which is essential for the calculation of analytic thermodynamic values that approximate calculations from other methods. To benchmark our theoretical models, periodic density functional calculations were performed to determine the interactions between H 2 and different MgB 2 surfaces from first-principles. By considering both the top and sublayers of MgB 2 in calculating interaction energy, we have analytically and computationally calculated the interaction energies of H 2 molecules and MgB 2 's terminated planes, and witnessed the strong dependence of interaction energies on surface charges. We have also observed a dipole flipping phenomenon which explains the discontinuity seen in the interaction energy graph of Mg(0001). Both analytical and computational results showed heat of adsorption at zero coverage varying at a very low range (<7 kJ mol -1 ).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Thermo-rheological snapshot of melter feed conversion to glass

Slurry feed charged into an electric melter creates a layer of reacting and melting material (termed cold cap) that floats on the surface of molten glass. The rheological behavior of heated melter feed affects the spreading of slurry at the top of the cold cap and the stability of the primary foam, affecting cold-cap coverage and melter plenum temperatures. The apparent viscosity of a high-alumina high-level waste melter feed was assessed by thermomechanical analysis, high-temperature viscometer, and the hot stage microscopy method, yielding viscosity estimates from ≈10 7.5 Pa s at 550°C to ≈10 2.5 Pa s at 1050°C. As the temperature of feed materials increased, their state changed from rigid solid to dilatant fluid, to pseudoplastic bubbly liquid with dissolving solids, to fully developed foam, and finally to Newtonian glass melt.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1992

Issues/considerations and performance prediction of LEO protective coatings

Organic materials can be used in low earth orbit for long periods only if they are made to be durable to atomic oxygen in addition to the threats of ultraviolet radiation, micrometeoroid and debris impact, thermal cycling, and charged particle radiation. In many materials applications, it is more cost-effective to utilize atomic oxygen protective coatings over materials which are vulnerable to attack by atomic oxygen rather than developing alternative materials which are inherently durable. Many metal and metal oxide coatings have been shown to be potentially suitable for long term protection of organic polymers in low earth orbit. The protection afforded by thin film coatings on polymeric substrates is highly dependent on the completeness of coverage of the coating. Thus, the prime indicator of durability is the size and abundance of pin windows and scratches in the protective coating. Such defects depend on the deposition technique, smoothness of the surface to be protected, and presence of particulate contaminants. Issues and considerations relevant to substrate preparation, deposition of protective coatings, ground laboratory simulation and evaluation of threats in low earth orbit to protective materials, results of in-space tests, and the use of Monte Carlo modeling techniques to predict in-space durability are presented in graphic form.

Banks, Bruce A.↗

NASA NTRS1995

Technical report series on global modeling and data assimilation. Volume 6: A multiyear assimilation with the GEOS-1 system: Overview and results

The Data Assimilation Office (DAO) at Goddard Space Flight Center has produced a multiyear global assimilated data set with version 1 of the Goddard Earth Observing System Data Assimilation System (GEOS-1 DAS). One of the main goals of this project, in addition to benchmarking the GEOS-1 system, was to produce a research quality data set suitable for the study of short-term climate variability. The output, which is global and gridded, includes all prognostic fields and a large number of diagnostic quantities such as precipitation, latent heating, and surface fluxes. Output is provided four times daily with selected quantities available eight times per day. Information about the observations input to the GEOS-1 DAS is provided in terms of maps of spatial coverage, bar graphs of data counts, and tables of all time periods with significant data gaps. The purpose of this document is to serve as a users' guide to NASA's first multiyear assimilated data set and to provide an early look at the quality of the output. Documentation is provided on all the data archives, including sample read programs and methods of data access. Extensive comparisons are made with the corresponding operational European Center for Medium-Range Weather Forecasts analyses, as well as various in situ and satellite observations. This document is also intended to alert users of the data about potential limitations of assimilated data, in general, and the GEOS-1 data, in particular. Results are presented for the period March 1985-February 1990.

Suarez, Max J.↗

NASA NTRS2001

TRMM Validation: Integration of TRMM Satellite and Ground-Validation Data to Determine Tropical Heating

Steiner and Houze showed from ground validation data that the Tropical Rain Measuring Mission (TRMM) satellite Precipitation Radar's (PR's) twice daily only sampling should lead to an uncertainty of approximately 20% in rain estimates. They further showed that the uncertainties are smallest at the 5-7.5 km level. Schumacher and Houze used Kwajalein ground validation data to show that the TRMM PR misses only 2.3% of the near surface rainfall but does not see 46% of the area where rain occurs, because of the 17 dBZ PR reflectivity threshold. Houze discusses how the TRMM data extend earlier tropical convective studies to global coverage of the vertical profile of latent heating via the TRMM PR''s ability to distinguish and globally map convective and stratiform precipitation. Process studies carried out under this TRMM grant Yuter and Houze and Yuter et al. studied ship-based radar observations in the tropical eastern Pacific ITCZ. The eastern Pacific precipitation process is different from the western Pacific (the COARE area); rain is heavier but the clouds are not as deep. These process differences may affect the ability to remotely sense precipitation accurately in the two regions. Satellite microwave data were able to detect the precipitation as long as the rain areas exceeded 10 km in dimension. However, the microwave algorithms had difficulty distinguishing light and heavy rain. Satellite IR algorithms only partially detected the rain because the tops of the smaller and more short-lived rain clouds were sometimes not cold enough for the IR algorithms to detect them. Houze et al. focused on the west Pacific precipitating mesoscale convective systems and showed how their precipitation and internal dynamics vary in relation to the slowly varying large-scale heating-driven circulation, which has a structure described by a combination of Kelvin and Rossby wave response to the near-equatorial convective heating constituted by the mesoscale convective systems. Ship and aircraft radar data were used in this study.

Houze, Robert A., Jr.↗

NASA NTRSDate not supplied

Dynamic Stability Analysis Using Free-Flight CFD

Blunt body probes are the primary design for atmospheric entry. The blunted capsule shape, while desirable for the decreased forebody heating, typically experiences dynamic instability at low supersonic and transonic flight. At moderate to low supersonic conditions, the unsteady wake begins to adversely interact with the vehicle in free-flight resulting in attitude oscillations which can grow in time and result in tumbling. Understanding vehicle dynamics is thus important when considering vehicle entry design and guidance navigation and control (GN&C) considerations. Historically, dynamic stability has been carried out exclusively using experimental techniques. The wide range of experimental approaches provide reasonable coverage in Mach and dynamic pressure space for a given trajectory, however achieving flight similitude is often difficult or impossible. Advancements in Computational Fluid Dynamics (CFD) techniques allow for dynamic motion of the vehicle surface during the simulation with either forced/prescribed motion or free motion in response to fluid forces. Several examples of CFD software with the ability to simulate fluid dynamics and vehicle motion are available in literature. The Free-Flight CFD (FF-CFD) capability developed by NASA Ames within the US3D flow solver has shown extensive validation and verification (V&V) efforts from moderate to low supersonic flow across a range of vehicle architectures. The solver is able to simulate full rotational and translation motion resulting in full 6 degrees-of-freedom (DoF) motion. The validation and verification efforts the solver's ability to predict the motion of a ballistic range model as compared to experimental results. Similar to other computational capabilities in literature, FF-CFD relied on heritage data reduction methodologies and processes for reducing dynamic data into aerodynamic coefficients intended for use in design and trajectory codes. These heritage approaches, initially developed with the assumptions (and restrictions) of ground test facilities, resulted in the significant culling of the full 6-DoF dynamic data set to discrete values which are then fit using an aerodynamic model. Recent development of simulation and data reduction methodologies has resulted in an improved approach to FF-CFD simulations of vehicle dynamics which leverage the control of dynamic constraints within a simulation set-up. The presentation of this work will cover the constrained dynamic simulation approach for deriving dynamic coefficients for a Genesis capsule. The methodology will be outlined and a discussion of implications in motion restriction will be discussed. Finally, reconstructed vehicle trajectories using FF-CFD derived aerodynamic coefficients will be presented.

Joseph M Brock↗