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At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

Global 3-D Ionospheric Electron Density Reanalysis Based on Multisource Data Assimilation

We report preliminary results of a global 3-D ionospheric electron density reanalysis demonstration study during 2002-2011 based on multisource data assimilation. The monthly global ionospheric electron density reanalysis has been done by assimilating the quiet days ionospheric data into a data assimilation model constructed using the International Reference Ionosphere (IRI) 2007 model and a Kalman filter technique. These data include global navigation satellite system (GNSS) observations of ionospheric total electron content (TEC) from ground-based stations, ionospheric radio occultations by CHAMP, GRACE, COSMIC, SAC-C, Metop-A, and the TerraSAR-X satellites, and Jason-1 and 2 altimeter TEC measurements. The output of the reanalysis are 3-D gridded ionospheric electron densities with temporal and spatial resolutions of 1 h in universal time, 5deg in latitude, 10deg in longitude, and approx.30 km in altitude. The climatological features of the reanalysis results, such as solar activity dependence, seasonal variations, and the global morphology of the ionosphere, agree well with those in the empirical models and observations. The global electron content derived from the international GNSS service global ionospheric maps, the observed electron density profiles from the Poker Flat Incoherent Scatter Radar during 2007-2010, and foF2 observed by the global ionosonde network during 2002-2011 are used to validate the reanalysis method. All comparisons show that the reanalysis have smaller deviations and biases than the IRI-2007 predictions. Especially after April 2006 when the six COSMIC satellites were launched, the reanalysis shows significant improvement over the IRI predictions. The obvious overestimation of the low-latitude ionospheric F region densities by the IRI model during the 23/24 solar minimum is corrected well by the reanalysis. The potential application and improvements of the reanalysis are also discussed.

Xinan Yue↗
NASA NTRS2012

Longitudinal Differences of Ionospheric Vertical Density Distribution and Equatorial Electrodynamics

Accurate estimation of global vertical distribution of ionospheric and plasmaspheric density as a function of local time, season, and magnetic activity is required to improve the operation of space-based navigation and communication systems. The vertical density distribution, especially at low and equatorial latitudes, is governed by the equatorial electrodynamics that produces a vertical driving force. The vertical structure of the equatorial density distribution can be observed by using tomographic reconstruction techniques on ground-based global positioning system (GPS) total electron content (TEC). Similarly, the vertical drift, which is one of the driving mechanisms that govern equatorial electrodynamics and strongly affect the structure and dynamics of the ionosphere in the low/midlatitude region, can be estimated using ground magnetometer observations. We present tomographically reconstructed density distribution and the corresponding vertical drifts at two different longitudes: the East African and west South American sectors. Chains of GPS stations in the east African and west South American longitudinal sectors, covering the equatorial anomaly region of meridian approx. 37 deg and 290 deg E, respectively, are used to reconstruct the vertical density distribution. Similarly, magnetometer sites of African Meridian B-field Education and Research (AMBER) and INTERMAGNET for the east African sector and South American Meridional B-field Array (SAMBA) and Low Latitude Ionospheric Sensor Network (LISN) are used to estimate the vertical drift velocity at two distinct longitudes. The comparison between the reconstructed and Jicamarca Incoherent Scatter Radar (ISR) measured density profiles shows excellent agreement, demonstrating the usefulness of tomographic reconstruction technique in providing the vertical density distribution at different longitudes. Similarly, the comparison between magnetometer estimated vertical drift and other independent drift observation, such as from VEFI onboard Communication/Navigation Outage Forecasting System (C/NOFS) satellite and JULIA radar, is equally promising. The observations at different longitudes suggest that the vertical drift velocities and the vertical density distribution have significant longitudinal differences; especially the equatorial anomaly peaks expand to higher latitudes more in American sector than the African sector, indicating that the vertical drift in the American sector is stronger than the African sector.

total electron content↗
NASA NTRS2013

Empirical STORM-E Model

Auroral nighttime infrared emission observed by the Sounding of the Atmosphere using Broadband Emission Radiometry (SABER) instrument onboard the Thermosphere-Ionosphere-Mesosphere Energetics and Dynamics (TIMED) satellite is used to develop an empirical model of geomagnetic storm enhancements to E-region peak electron densities. The empirical model is called STORM-E and will be incorporated into the 2012 release of the International Reference Ionosphere (IRI). The proxy for characterizing the E-region response to geomagnetic forcing is NO+(v) volume emission rates (VER) derived from the TIMED/SABER 4.3 lm channel limb radiance measurements. The storm-time response of the NO+(v) 4.3 lm VER is sensitive to auroral particle precipitation. A statistical database of storm-time to climatological quiet-time ratios of SABER-observed NO+(v) 4.3 lm VER are fit to widely available geomagnetic indices using the theoretical framework of linear impulse-response theory. The STORM-E model provides a dynamic storm-time correction factor to adjust a known quiescent E-region electron density peak concentration for geomagnetic enhancements due to auroral particle precipitation. Part II of this series describes the explicit development of the empirical storm-time correction factor for E-region peak electron densities, and shows comparisons of E-region electron densities between STORM-E predictions and incoherent scatter radar measurements. In this paper, Part I of the series, the efficacy of using SABER-derived NO+(v) VER as a proxy for the E-region response to solar-geomagnetic disturbances is presented. Furthermore, a detailed description of the algorithms and methodologies used to derive NO+(v) VER from SABER 4.3 lm limb emission measurements is given. Finally, an assessment of key uncertainties in retrieving NO+(v) VER is presented

Mertens, Christopher J.↗
NASA NTRS2017

Simultaneous Observations of Traveling Convection Vortices: Ionosphere-Thermosphere Coupling

We present simultaneous observations of magnetosphere-ionosphere-thermosphere coupling over Svalbard during a traveling convection vortex (TCV) event. Various spaceborne and ground-based instruments made coordinated measurements, including magnetometers, particle detectors, an all-sky camera, European Incoherent Scatter (EISCAT) Svalbard Radar, Super Dual Auroral Radar Network (SuperDARN), and SCANning Doppler Imager (SCANDI). The instruments recorded TCVs associated with a sudden change in solar wind dynamic pressure. The data display typical features of TCVs including vortical ionospheric convection patterns seen by the ground magnetometers and SuperDARN radars and auroral precipitation near the cusp observed by the all-sky camera. Simultaneously, electron and ion temperature enhancements with corresponding density increase from soft precipitation are also observed by the EISCAT Svalbard Radar. The ground magnetometers also detected electromagnetic ion cyclotron waves at the approximate time of the TCV arrival. This implies that they were generated by a temperature anisotropy resulting from a compression on the dayside magnetosphere. SCANDI data show a divergence in thermospheric winds during the TCVs, presumably due to thermospheric heating associated with the current closure linked to a field-aligned current system generated by the TCVs. We conclude that solar wind pressure impulse-related transient phenomena can affect even the upper atmospheric dynamics via current systems established by a magnetosphere-ionosphere-thermosphere coupling process.

Kim, Hyomin↗
NASA NTRS1996

Ionospheric Mapping with the GPS/MET

The GPS/MET experiment, which placed a GPS receiver in a low-Earth orbit tracking the GPS in an occultation geometry, has collected thousands of occultations since its launch in April of 1995. Each occultation can be inverted to give an electron density profile in the ionosphere, temperature and pressure profiles in the lower mesosphere, stratosphere and upper troposphere, and water vapor density profiles in the lower troposphere. This paper gives a summary of the ionospheric effects on the GPS/MET signal and examines some of the retrieved electron density profiles. We examine the bending induced by the ionosphere on the occulting signal and the resulting separation of the two GPS links corresponding to the L1 and L2 phase signals. We also examine the amplitude scintillation caused by sharp layers at the bottom of the ionosphere. We briefly describe the Abel inversion method for obtaining the index of refraction and show several examples of electron density profiles and comparisons derived from the Parameterized Ionospheric Model (PIM) and to incoherent scatter radar measurements.

GPS↗
NASA NTRS2022

Observations of Ion Upflow and 630.0 Nm Emission During Pulsating Aurora

In this study, we report observations made by filtered (557.7 and 630.0 nm) All-Sky Imagers located at Poker Flat, Alaska alongside Poker Flat Incoherent Scatter Radar data for an event observed on 5 February 2017. Together, the data indicate ion upflow in the vicinity of pulsating aurora. Additionally, the data show a strong 630.0 nm (red-line) auroral emission. Observations of pulsating aurora are typically reported at 557.7 and 427.8 nm, as these wavelengths are more sensitive to high-energy (∼ tens of keV) electron precipitation. In contrast, 630.0 nm emission is generated preferentially by low-energy soft electron precipitation (∼ hundreds of eV), and is less commonly observed. The All-Sky Imager data discussed here are unusual in that they suggest regions of enhanced soft electron precipitation in conjunction with enhanced ambipolar electric fields, which are a known factor contributing to ion outflow.

ion upflow↗
NASA NTRS2023

Thermospheric Temperature and ΣO/N 2 Variations as Observed by GOLD and Compared to MSIS and WACCM-X Simulations During 2019–2020 at Deep Solar Minimum

The ultraviolet-imaging spectrograph that comprises Global-scale Observations of the Limb and Disk (GOLD) mission in geostationary orbit at 47.5°W longitude has taken full disk images at high cadence throughout the deep solar minimum period of 2019–2020. Synoptic (i.e., concurrent and spatially unified and resolved) observations of thermospheric temperature and composition at ∼150 km altitude are made for the first time, allowing GOLD to disambiguate temporal and spatial variations. Here we analyze the daytime effective temperature and column integrated O and N2 density ratio (ΣO/N 2 ) data simultaneously observed by GOLD over 120°W–20°E longitude and 60°S–60°N latitude from 13 October 2019 to 12 October 2020. Daily zonal mean values are calculated for each latitude and compared with NRLMSIS 2.0 and simulations from the Whole Atmosphere Community Climate Model with thermosphere and ionosphere extension (WACCM-X). On average, the GOLD observations show higher temperatures than Mass Spectrometer Incoherent Scatter radar (MSIS) and WACCM-X by ∼20–60 K (5%–10%) and 80–120 K (12%–18%), respectively. The ΣO/N 2 ratios observed by GOLD are larger than the MSIS results by ∼0.4 (40%) but smaller than the WACCM-X simulations by ∼0.3 (30%). The observed and modeled results are correlated at most latitudes (r = 0.4–0.8), and GOLD, MSIS, and WACCM-X all display a similar seasonal variation and change with latitude. WACCM-X simulates a larger annual variation in ΣO/N 2 , suggesting that the thermospheric circulation is overestimated and atmospheric waves and turbulence transport are not properly represented in the model.

Guiping Liu↗
NASA NTRS2023

Long-Term Geospace Climate Monitoring

Climate change is characterized by global surface warming associated with the increase of greenhouse gas population since the start of the industrial era. Growing evidence shows that the upper atmosphere is experiencing appreciable cooling over the last several decades. The seminal modeling study by Roble and Dickinson (1989) suggested potential effects of increased greenhouse gases on the ionosphere and thermosphere cooling which appear consistent with some observations. However, several outstanding issues remain regarding the role of CO 2 , other important contributors, and impacts of the cooling trend in the ionosphere and thermosphere: for example, (1) what is the regional variability of the trends? (2) the very strong ionospheric cooling observed by multiple incoherent scatter radars that does not fit with the prevailing theory based on the argument of anthropogenic greenhouse gas increases, why? (3) what is the effect of secular changes in Earth’s main magnetic field? Is it visible now in the ionospheric data and can it explain some of the regional variability in the observed ionospheric trends? (4) what is the impact of long-term cooling in the thermosphere on operational systems? (5) what are the appropriate strategic plans to ensure the long-term monitoring of the critical space climate?

long-term trends↗
NASA NTRS2023

Thermospheric Temperature and ΣO/N2 Variations as Observed by GOLD and Compared to MSIS and WACCM-X Simulations During 2019–2020 at Deep Solar Minimum

The ultraviolet-imaging spectrograph that comprises Global-scale Observations of the Limb and Disk (GOLD) mission in geostationary orbit at 47.5°W longitude has taken full disk images at high cadence throughout the deep solar minimum period of 2019–2020. Synoptic (i.e., concurrent and spatially unified and resolved) observations of thermospheric temperature and composition at ∼150 km altitude are made for the first time, allowing GOLD to disambiguate temporal and spatial variations. Here we analyze the daytime effective temperature and column integrated O and N 2 density ratio (ΣO/N 2 ) data simultaneously observed by GOLD over 120°W–20°E longitude and 60°S–60°N latitude from 13 October 2019 to 12 October 2020. Daily zonal mean values are calculated for each latitude and compared with NRLMSIS 2.0 and simulations from the Whole Atmosphere Community Climate Model with thermosphere and ionosphere extension (WACCM-X). On average, the GOLD observations show higher temperatures than Mass Spectrometer Incoherent Scatter radar (MSIS) and WACCM-X by ∼20–60 K (5%–10%) and 80–120 K (12%–18%), respectively. The ΣO/N2 ratios observed by GOLD are larger than the MSIS results by ∼0.4 (40%) but smaller than the WACCM-X simulations by ∼0.3 (30%). The observed and modeled results are correlated at most latitudes (r = 0.4–0.8), and GOLD, MSIS, and WACCM-X all display a similar seasonal variation and change with latitude. WACCM-X simulates a larger annual variation in ΣO/N 2 , suggesting that the thermospheric circulation is overestimated and atmospheric waves and turbulence transport are not properly represented in the model.

Guiping Liu↗
NASA NTRS2023

Optimal Estimation Inversion of Ionospheric Electron Density from GNSS-POD Limb Measurements: Part II-Validation and Comparison Using NmF2 and hmF2

A growing number of SmallSat/CubeSat constellations with high-rate (50–100 Hz) global navigation satellite system radio occultations (GNSS-RO) as well as low-rate (1 Hz) precise orbit determination (GNSS-POD) limb-viewing capabilities provide unprecedented spatial and temporal sampling rates for ionospheric studies. In the F-region electron density (N 𝑒 ) retrieval process, instead of the conventional onion-peeling (OP) inversion, an optimal estimation (OE) inversion technique was recently developed using total electron content measurements acquired by GNSS-POD link. The new technique is applied to data acquired from the COSMIC-1, COSMIC-2, and Spire constellations. Although both OE and OP techniques use the Abel weighting function in N 𝑒 inversion, OE significantly differs in its performance, especially in the lower F- and E-regions. In this work, we evaluate and compare newly derived data sets using F2 peak properties with other space-based and ground-based observations. We determine the F2 peak N 𝑒 (NmF2) and its altitude (hmF2), and compare them with the OP-retrieved values. Good agreement is observed between the two techniques for both NmF2 and hmF2. In addition, we also utilize autoscaled F2 peak measurements from a number of worldwide Digisonde stations (∼30). The diurnal sensitivity and latitudinal variability of the F2 peak between the two techniques are carefully studied at these locations. Good agreement is observed between OE-retrieved NmF2 and Digisonde-measured NmF2. However, significant differences appear between OE-retrieved hmF2 and Digisonde-measured hmF2. During the daytime, Digisonde-measured hmF2 remains ∼25–45 km below the OE-retrieved hmF2, especially at mid and high latitudes. We also incorporate F-region N 𝑒 measurements from two incoherent scatter radar observations at high latitudes, located in the North American (Millstone Hill) and European (EISCAT at Tromso) sectors. The radar measurements show good agreement with OE-retrieved values. Although there are several possible sources of error in the ionogram-derived N 𝑒 profiles, our further analysis on F1 and F2 layers indicates that the low Digisonde hmF2 is caused by the autoscaled method, which tends to detect a height systematically below the F2 peak when the F1 layer is present.

GNSS radio occultation↗
NASA NTRS2023

Comparative Accuracies of Models for Drag Prediction During Geomagnetically Disturbed Periods: A First Principles Model Versus Empirical Models

We examine the accuracy of density prediction by the first principles model Thermosphere Ionosphere Electrodynamics General Circulation Model (TIEGCM) developed by the National Center for Atmospheric Research and compare it to the accuracy of three empirical models: Jacchia 71, the Naval Research Laboratory Mass Spectrometer Incoherent Scatter Extended 2000 (NRLMSIS), Jacchia 1971, and Jacchia-Bowman 2008. Comparisons are made for three large storms: the October 2003 storm, the March 2013 storm, and the March 2015 storm. To evaluate the accuracy of these models we use tracking data for nine space objects in low Earth orbit. Additionally, we evaluate the accuracy of the TIEGCM and NRLMSIS with data from high precision accelerometers on the Challenging Minisatellite Payload (CHAMP) and Gravity field and Circulation Explorer (GOCE) satellites. The goal is to assess the use of a first principles model as a potential tool for forecasting satellite drag during large magnetic storms. For the storms considered, we found the TIEGCM, JB2008, and NRLMSIS models to be substantially more accurate than the Jacchia 71 model. The accuracies of the TIEGCM and JB2008 models were similar, but overall, the TIEGCM was more accurate. We found smaller differences for TIEGCM versus CHAMP than for NRLMIS for the Halloween Storm, and smaller differences than results published for JB2008 and the assimilative model HASDM. The empirical models are at present more practical for operational purposes, but the TIEGCM, developed as a research model, with a greater focus on operational use offers the potential for improved utility during stressing conditions.

R. L. Walterscheid↗
DOE OSTI2020

Hydrogen Diffusivity Measurements of YH 1.87 Moderator Material with Incoherent Quasielastic Neutron Scattering

Yttrium hydride is an optimal choice of moderator material for thermal neutron spectrum reactors requiring small core volumes. The Transformation Challenge Reactor (TCR) program at Oak Ridge National Laboratory (ORNL) aims to develop an additively manufactured microreactor core by leveraging recent advances in materials, manufacturing, data analytics, and high-fidelity modeling and simulation. Yttrium hydride was selected as the moderator material for TCR due to its high moderating power, which enables the spatially efficient reactor design and thermal stability that is superior when compared with zirconium hydride. Hydrogen desorption from yttrium hydride is expected at elevated temperatures, posing safety and performance concerns. As a lifetime component in advanced reactors, appropriate strategies to mitigate hydrogen release from yttrium hydride over long-term reactor operation are required. Understanding hydrogen mobility in yttrium hydride provides the scientific basis for developing a hydrogen barrier for hydride moderator and predicting the hydrogen redistribution within the material during various operational conditions. This study investigated the hydrogen motion in YH 1.87 as a function of temperature ranging from 200 to 1,173 K using incoherent quasielastic neutron scattering (IQNS) at the Spallation Neutron Source (SNS). The results are presented and discussed in terms of hydrogen self-diffusion coefficients, activation energy for translational hydrogen motion, and hydrogen jump distances. Based on the IQNS data, YH 1.87 is found to be stable at high temperatures with no translational H motion below 1,023 K within the IQNS detection limits. In the temperature range of 1,073–1,173 K, hydrogen diffusivity in YH 1.87 is $D = 4.57 X 10^{⁻3} [m^2/s] exp (⁻\frac{1.73[eV]}{RT}$). The hydrogen concentration’s dependence on hydrogen diffusivity is also discussed in this report.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1987

Gyroresonant pitch angle scattering by coherent and incoherent whistler mode waves in the magnetosphere

A test particle approach is used to compare gyroresonant pitch angle scattering of energetic electrons by coherent versus incoherent whistler mode waves, for the case in which the coherent wave amplitude is below the nonlinear phase trapping threshold. Wave packets of 400 ms duration propagating along the magnetic field at L = 4 within the plasmasphere are considered, and the wave-induced pitch angle scattering along the propagation path from one hemisphere to the other and the resulting precipitation flux are computed. An incoherent wave spectrum is simulated by random modulation of the wave frequency at intervals of 1 ms, thereby generating signals with nearly constant power spectral density over a bandwidth of 2 kHz centered at 5.5 kHz. The associated pitch angle scattering is compared with that of a monochromatic 5.5-kHz signal of 400 ms duration. Results of the test particle analysis are compared with those expected on the basis of a classical diffusion treatment, and an expression is derived for an effective “diffusion” coefficient for pitch angle scattering by coherent waves. The trajectory followed by a particle when interacting with incoherent waves essentially represents a random walk in velocity space, while for coherent waves the pitch angle of the particle varies in a well-defined manner. In spite of the fact that individual particle scatterings are typically larger for coherent waves, the peak precipitation fluxes induced by incoherent waves are found to be approximately the same as those for coherent waves having the same total power. This results from the fact that incoherent waves interact with particles over a wider range of energies. As a consequence, the energy spectrum and the temporal extent of transient precipitation pulses due to incoherent wave packets are broader than those for equivalent coherent ones.

Umran S Inan↗
NASA NTRS1987

On the optimum polarizations of incoherently reflected waves

The Stokes scattering operator is noted to be the most useful characterization of incoherent scattering in radar imaging; the polarization that would yield an optimum amount of power received from the scatterer is obtained by assuming a knowledge of the Stokes scattering operator instead of the 2x2 scattering matrix with complex elements. It is thereby possible to find the optimum polarizations for the case in which the scatterers can only be fully characterized by their Stokes scattering operator, and the case in which the scatterer can be fully characterized by the complex 2x2 scattering matrix. It is shown that the optimum polarizations reported in the literature form the solution for a subset of a more general class of problems, so that six optimum polarizations can exist for incoherent scattering.

Van Zyl, Jakob J.↗
DOE OSTI2021

Generation of the TSL for Zirconium Hydrides from Ab Initio Methods

Zirconium hydride (ZrHx) is a moderator material used in TRIGA and other reactors that may exist in multiple phases with varying stoichiometry, which include the δ phase and the ϵ phase. Current ENDF/B-VIII.0 ZrHx thermal scattering law (TSL) evaluations do not distinguish between phases. These sub-libraries were generated with the LEAPR module of NJOY using historic phonon spectra derived from a central force model and assume incoherent elastic scattering for both bound hydrogen and zirconium, which neglects the effects of crystal structures important for scattering from zirconium bound in ZrHx. In this work, the TSLs for hydrogen and zirconium bound in δ-ZrHx and ϵ-ZrH2 were generated from phonon spectra derived from modern ab initio lattice dynamics methods and ab initio molecular dynamics. Subsequently, TSLs for hydrogen and zirconium in ZrHx and ZrH2 were generated using the Full Law Analysis Scattering System Hub (FLASSH) code. The built-in generalized coherent elastic routine was used to generate the previously neglected elastic contribution from zirconium for this material. The present TSLs provide both a re-evaluation of the current ZrH sub-libraries and expansion of the set of TSLs available for the examination of neutrons in systems with zirconium hydride, permitting explicit treatment of δ and ϵ phases.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Dynamics of Emim + in [Emim][TFSI]/LiTFSI Solutions as Bulk and under Confinement in a Quasi-liquid Solid Electrolyte

Quasi-liquid solid electrolytes are a promising alternative for next-generation Li batteries. Furthermore, these systems combine the safety of solid electrolytes with the desired properties of liquids and are typically formed by solutions of Li salts in ionic liquids incorporated into solid matrices. Here, we present a fundamental understanding of the transport properties in solutions of lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) in 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([Emim][TFSI]), either in bulk form or incorporated in a boron nitride (BN) matrix. We performed a series of quasi-elastic neutron scattering experiments that, given the high incoherent neutron scattering cross section of hydrogen, allowed us to focus on the Emim + dynamics. First, [Emim][TFSI]/LiTFSI solutions (0.5 and 2.5 mol·kg –1 ) were investigated and we show how the increase in the concentration reduces the Emim+ mobility and increases the activation energy of their long-range motions. Then, the 0.5 mol·kg –1 solution was incorporated into the BN matrix and we report that the diffusivities of the Emim + cations that remain mobile under confinement are highly accelerated in comparison with the bulk sample and the activation energy of these motions is drastically reduced. We present the experimental evidence that this effect is related to the content of the Emim+ cations immobilized near the surfaces of the BN pores.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Four-Dimensional Quasielastic Neutron Scattering (4D-QENS) Analysis of Correlated Ionic Conduction in Sr⁢Cl2

Methods of elucidating the mechanisms of fast-ion conduction in solid-state materials are pivotal for advancements in energy technologies such as batteries, fuel cells, sensors, and supercapacitors. In this study, we examine the ionic conduction pathways in single crystal Sr⁢Cl2, which is a fast-ion conductor above 900 K, using four-dimensional quasielastic neutron scattering (4D-QENS). We explore both coherent and incoherent neutron scattering at temperatures above the transition temperature into the superionic phase to explore the correlated motion of hopping anions. Refinements of the incoherent QENS yield residence times and jump probabilities between lattice sites in good agreement with previous studies, confirming that ionic hopping along nearest-neighbor directions is the most probable conduction pathway. However, the coherent QENS reveals evidence of de Gennes narrowing, indicating the importance of ionic correlations in the conduction mechanism. This highlights the need for improvements both in the theory of ionic transport in fluorite compounds and the modeling of coherent 4D-QENS in single crystals.

Coles, Jared [Materials Science Division, Argonne ↗
DOE OSTI2022

Title Coherent X-ray Studies of Surface Growth and Patterning Processes

X-ray Photon Correlation Spectroscopy (XPCS) is being developed as a tool to study nanoscale dynamics of fluctuations during thin film growth and surface patterning. XPCS examines the evolution of the X-ray scattering speckle pattern in reciprocal space to reveal dynamics information not accessible through any other means. Unlike low-coherence conventional X-ray scattering, which incoherently averages over different regions of a sample, coherent X-ray scattering is sensitive to the detailed structure of a given sample at that moment in time. In thin film growth processes, heterodyning, which occurs due to coherent mixing of two scattered signals, can be used to investigate the relationship between surface growth velocity and defect propagation. And, for polycrystalline thin film growth, the spatial coherence of the X-ray beam can substitute for the missing spatial coherence of the growth process to track layered growth in detail, even in a growth regime in which there are no conventional growth oscillations of the X-ray intensity. This has opened the door for detailed dynamics studies of individual atomic layers during real-world growth and patterning, not just in perfect single-crystal growth cases, which greatly expands the applicability of in-situ X-ray scattering methods. Step-flow dynamics in mounded polycrystalline growth has been studied separately for two thin film organic semiconductors deposited by thermal deposition in a vacuum environment, C60 and diindenoperylene (DIP). Highly oriented polycrystalline thin films are readily obtained in both systems, where mounds are composed of crystalline monolayer-height steps and terraces in a so-called wedding cake morphology. The formation of mounds is understood to be due to significant Ehrlich-Schwoebel step edge barriers that inhibit molecules from hopping down from one layer to the one below. The mounds exhibit local step flow, which can be monitored using coherent X-ray scattering. This is made possible due to heterodyning between scattering from the average mounds and the moving steps, which becomes visible in XPCS analysis. The effect of desorption, i.e. re-evaporation of deposited molecules is found to be important for understanding these processes. The impact of this work is to enable testing of models of step dynamics, the shape of mounds, and merging of mounds to form continuous thin films. Highly ordered polycrystalline thin films deposited on inexpensive substrates have applications in thin film solar cells and other organic electronic devices. In a separate set of experiments, speckle analysis during self-organized ion beam nanopatterning reveals memory stretching back to the beginning of patterning in the early stages and enables measurement of the velocity of self-organized patterns across surfaces providing the possibility of stringent new tests of the theory of pattern formation and motion.

36 MATERIALS SCIENCE↗