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DOE OSTI2024

Nano-Plasticity of an Electrified Ionic Liquid/Electrode Interface: Uncovering Hard–Soft Structuring via Controlled Metal Fill Factor

Here, ionic liquids (ILs) nanostructuring at electrified interfaces is of both fundamental and practical interest as these materials are increasingly gaining prominence in energy storage and conversion processes. However, much remains unresolved about IL potential-controlled (re)organization under highly polarized interfaces, mostly due to the difficulty of selectively probing both the distal and proximal surface layers of adsorbed ions. In this work, the structural dynamics of the innermost layer (<10 nm from the surface) were independently interrogated from that of the ionic layers in the sub-surface region (>100 nm from the surface), using an infrared (IR) spectroscopy approach. By tuning the metal fill factor of gold films deposited on conductive metal oxide-modified IR internal reflection elements, the charge-driven (re)structuring of the inner and distal layers of 1-butyl-1-methylpyrrolidinium trifluoromethanesulfonate is unveiled. Within a relatively wide potential region (~±1 V) bounding the potential of zero charges, the ionic liquid is shown to undergo a reversible (i.e., soft) reorganization whereby the innermost layer of anions (cations) is exchanged by a layer of cations (anions). Kinetically unhindered changes in the number density of constituent cations and anions largely follow electrostatic expectations in the subsurface region, whereas the innermost layer exhibits a pronounced hysteresis and very slow relaxation. Under larger negative potential bias, IL restructuring is characterized by a highly irreversible (i.e., hard) and intense interfacial densification of the BMPy + cations, consistent with the formation of nanoscale segregated liquids. The outcomes of this work reveal a plastic IL nanostructuring under a strong electric field.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Anode Upcycling via Tailored Solvent Treatment

To achieve a truly closed-loop direct recycling process for lithium-ion batteries, all component materials must be recovered. To date, direct recycling method development has primarily focused on the high-value transition-metal cathode materials, while the inherently lower-value graphite has been challenging to recover in a cost-effective manner. However, end-of-life graphite contains a unique engineered value due to the presence of the solid electrolyte interphase (SEI). Growth of the SEI during the cell's active lifetime stabilizes the electronically reactive graphite surface through an irreversible consumption of Li, and thus necessitates both excess lithiation of the cathode and a costly and time-intensive formation procedure during manufacturing. An optimized pre-formed SEI that capitalizes on existing SEI components from end-of-life batteries has the potential to significantly reduce cathode lithiation requirements and eliminate the critical bottleneck of formation cycling during cell remanufacturing. Further, retaining Li at the anode obviates the need for a separate Li leaching and recovery step, improving the overall efficiency of the direct recycling line. In this work, we present a novel approach to "upcycling" spent graphite through use of tailored chemical treatment to remove adverse (i.e., highly resistive and/or poorly passivating) SEI species while retaining beneficially passivating components. We have explored a rational set of solvents spanning a range of polarity, proticity, and molecular size to evaluate structure-property-performance relationships between applied solvent(s), removed and remaining SEI species, and electrochemical response of the resulting graphite product. Further, we have developed and optimized a robust and holistic analysis procedure that couples symmetric-cell electrochemical testing, multi-modal materials characterization, and advanced electrochemical modeling. These analysis results inform a set of correlative metrics for graphite performance relative to both solvent properties and upcycled SEI composition. We demonstrate effective tunability in the residual SEI composition by varying solvent identity and concentration, and report on several promising solvent systems that achieve comparable or performance to pristine graphite.

anode recycling↗

NASA NTRS2020

Eta Carinae & the Homunculus: Far Infrared Sub-millimeter Spectral Lines detected with the Herschel Space Observatory

The evolved massive binary star η Carinae underwent eruptive mass loss events that formed the complex bi-polar “Homunculus” nebula harboring tens of solar masses of unusually nitrogen-rich gas and dust. Despite expectations for the presence of a significant molecular component to the gas, detections have been observationally challenged by limited access to the far-infrared and the intense thermal continuum. A spectral survey of the atomic and rotational molecular transitions was carried out with theHerschel Space Observatory, revealing a rich spectrum of broad emission lines originating in the ejecta. Velocity profiles of selected PACS lines correlate well with known substructures: Hi in the central core; NH and weak [Cii] within the Homunculus; and [Nii] emissions in fast-moving structures external to the Homunculus.We have identified transitions from [Oi], Hi, and 18 separate light C- and O-bearing molecules including CO, CH, CH+, and OH, and a wide set of N-bearing molecules,NH, NH+, N2H+, NH2, NH3, HCN, HNC, CN, and N2H+. Half of these are new detections unprecedented for any early-type massive star environment. A very low ratio[12C/13C]≤4 is estimated from five molecules and their isotopologues. We demonstrate that non-LTE effects due to the strong continuum are significant. Abundance patterns are consistent with line formation in regions of carbon and oxygen depletions with nitrogen enhancements, reflecting an evolved state of the erupting star with efficient transport of CNO-processed material to the outer layers. The results offer many opportunities for further observational and theoretical investigations of the molecular chemistry under extreme physical and chemical conditions around massive stars in their final stages of evolution.

T. R. Gull↗

DOE OSTI2026

ALD-Derived WO 3– x Leads to Nearly Wake-Up-Free Ferroelectric Hf 0.5 Zr 0.5 O 2 at Elevated Temperatures

Breaking the memory wall in advanced computing architectures will require complex 3D integration of emerging memory materials such as ferroelectrics─either within the back-end-of-line (BEOL) of CMOS front-end processes or through advanced 3D packaging technologies. Achieving this integration demands that memory materials exhibit high thermal resilience, with the capability to operate reliably at elevated temperatures, such as 125°C, due to the substantial heat generated by front-end transistors. However, silicon-compatible HfO 2 -based ferroelectrics tend to exhibit antiferroelectric-like behavior in this temperature range, accompanied by a more pronounced wake-up effect, posing significant challenges to their thermal reliability. Here, we report that by introducing a thin tungsten oxide (WO 3–x ) layer─known as an oxygen reservoir─and carefully tuning its oxygen content, ultrathin Hf 0.5 Zr 0.5 O 2 (5 nm) films can be made robust against the ferroelectric-to-antiferroelectric transition at elevated temperatures. This approach not only minimizes polarization loss in the pristine state but also effectively suppresses the wake-up effect, reducing the required wake-up cycles from 10 5 to only 10 at 125°C, a qualifying temperature for back-end memory integrated with front-end logic, as defined by the JEDEC standard. First-principles density functional theory (DFT) calculations reveal that WO 3 enhances the stability of the ferroelectric orthorhombic phase (o-phase) at elevated temperatures by increasing the tetragonal-to-orthorhombic phase energy gap and promoting favorable phonon mode evolution, thereby supporting o-phase formation under both thermodynamic and kinetic constraints.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Tracking oxygen vacancy migration in memristor devices using operando hard X-ray photoelectron spectroscopy

Fabrication of ultrathin (sub-2 nm) oxide semiconductor memristors poses the fundamental challenge of achieving oxide growth with atomic precision in terms of electronic structure and defect formation. Recently, ultrathin memristors consisting of bilayers of mixed Al 2 O 3 and MgO atomic layers were fabricated using an in vacuo atomic layer deposition process. This approach offers a unique platform for precise atomic control of oxygen vacancies in the device in which the vacancies are introduced by placing MgO atomic layers between pristine Al 2 O 3 layers. In this work, we present a systematic operando Hard X-ray PhotoElectron Spectroscopy (HAXPES) study of the switching of such memristors, combined with complementary current-voltage and capacitance-voltage (C-V) measurements. We used a memristor stack of Al 2 O 3 /MgO atomic layers, with the MgO-containing oxide deposited on the bottom Al metal electrode and a pure Al 2 O 3 layer below the top Pd electrode. HAXPES analysis shows a substantial change in the chemical shift of the Aluminum oxide when switching between the ”OFF” and ”ON” states indicative of a redistribution of oxygen vacancies in the device active layer. Interestingly, subsequent switching to the OFF state shows hysteretic behavior indicating the retention of some oxygen vacancies in the top Al 2 O 3 layer. This vacancy retention can be correlated with the stochastic behavior of the switching voltage observed in these devices. C–V measurements show a clear frequency-dependent response in the OFF state, consistent with enhanced polarization and vacancy trapping at low frequencies.

47 OTHER INSTRUMENTATION↗

NASA NTRS2001

Constraints on Solar Wind Plasma Properties Derived from Coordinated Coronal Observations

The goal of the proposed research is to increase the understanding of coronal plasma phenomena by making use of different observational approaches and combine the observations with the necessary theoretical considerations. We continued to study the formation of spectral lines in the corona/transition region under different non-equilibrium conditions. In addition to Mg and Ne we have also studied some cases involving Si ions and spectral lines. Due to the fact that the sun was at the maximum phase of the solar cycle, we spent some time on observing coronal mass ejections. Observations of the H I Lyman-alpha spectral line and the line pair 0 VI 1031.91 AA and 1037.61 AA were carried out with the UVCS instrument in the northern polar region of the sun at position angle 270 deg. The region was monitored at about 2 RS for about 5 hours on March 04, and for about 8 hours on March 05. During that time interval a major Coronal Mass Ejection developed in the northern hemisphere. Density, velocity and temperature maps of the ejected plasma have been obtained from the UVCS data. This event was also seen in the white light Large Angle and Spectrometric Coronagraph Experiment (LASCO) images, and its evolution at lower heights can be followed in Extreme Ultraviolet Imaging Telescope (EIT). The LASCO images are essential in providing the larger scale context for this event which is unique in the sense that it developed almost due North and had very little interactions with adjacent regions. The combination of UVCS velocity maps and LASCO images which were reduced using advanced image processing techniques, show very clearly how the mass ejection evolved from the solar surface to several solar radii, the twisting of the flux ropes, which are seen in UVCS as blue and red shifted velocities. First results were presented at the AGU Meeting in Boston. To study the quieter side of the coronal plasma, we carried out an experiment during the past eclipse, in June 01. We measured the corona in several iron spectral lines, and polarized white light. The results from that experiment look promising so far.

Esser, Ruth↗

NASA NTRS2022

Comparisons Between the Distributions of Dust and Combustion Aerosols in MERRA-2, FLEXPART and CALIPSO and Implications for Deposition Freezing Over Wintertime Siberia

Aerosol distributions have a potentially large influence on climate-relevant cloud properties but can be difficult to observe over the Arctic given pervasive cloudiness, long polar nights, data paucity over remote regions, and periodic diamond dust events that satellites can misclassify as aerosol. We compared Arctic 2008–2015 mineral dust and combustion aerosol distributions from the Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observation (CALIPSO) satellite, the Modern-Era Retrospective analysis for Research and Applications, Version 2 (MERRA-2) reanalysis products, and the FLEXible PARTicle (FLEXPART) dispersion model. Based on coincident, seasonal Atmospheric Infrared Sounder (AIRS) Arctic satellite meteorological data, diamond dust may occur up to 60 % of the time in winter, but it hardly ever occurs in summer. In its absence, MERRA-2 and FLEXPART each predict the vertical and horizontal distribution of large-scale patterns in combustion aerosols with relatively high confidence (Kendall tau rank correlation > 0.6), although a sizable amount of variability is still unaccounted for. They do the same for dust, except in conditions conducive to diamond dust formation where CALIPSO is likely misclassifying diamond dust as mineral dust and near the surface (< ∼ 2 km) where FLEXPART may be overpredicting local dust emissions. Comparisons to ground data suggest that MERRA-2 Arctic dust concentrations can be improved by the addition of local dust sources. All three products predicted that wintertime dust and combustion aerosols occur most frequently over the same Siberian regions where diamond dust is most common in the winter. This suggests that dust aerosol impacts on ice phase processes may be particularly high over Siberia, although further wintertime model validation with non-CALIPSO observations is needed. This assessment paves the way for applying the model-based aerosol simulations to a range of regional-scale Arctic aerosol–cloud interaction studies with greater confidence.

MERRA-2↗

NASA NTRS1998

Martian Polar Region Impact Craters: Topographical Perspectives from the Mars Orbiter Laser Altimeter

The Mars Orbiter Laser Altimeter (MOLA) has acquired over 100 topographic cross-sections of impact landforms in the polar regions of Mars as part of Mars Global Surveyor (MGS) Science Phasing Orbit observations during the period from April to July, 1998. These MOLA topographic profiles offer the first three-dimensional perspectives of high latitude craters on Mars yet available, and provide evidence of landform geometries not previously recognized. Indeed, the relatively poor quality of Viking Orbiter images of many high northern latitude regions has allowed the MOLA data to provide insights into the cavities and ejecta topologies of non-degraded impact landforms that have clearly experienced interactions with condensates, either as part of their formation, or as a post-modification stage effect. Here we report a preliminary summary of the results associated with topographic measurements for a statistically significant population of impact features all of which lie north of 60N latitude. MOLA sampled four impact features with frost-related interior deposits, including the 81 km (diameter) Korolev feature. In several cases, there is evidence from near-centerline MOLA cross-sections of crater interior features (i.e., central peak or ice-dust deposits) that are anomalously large relative to the crater cavity. Central structures that make up more than 50% of the volume of a crater cavity are observed, suggesting that either substantial accumulation of mantling materials has occurred, or that crater excavation triggered production of volume-enhancing materials (ice?). Pedestal craters sampled by MOLA also attest to enhanced production of ejecta materials in high latitude terrains. For example, many of the pedestal craters suggest a volume of ejecta (Ve) to volume of cavity (Vc) ratio far in excess of 1.0 (i.e., over 3.0), even in cases where the floor of the cavity appears unfilled. Finally, the well-defined transitions between simple and complex craters observed in MOLA data for non-polar latitude impact features is not preserved at high northern latitudes (for non-degraded craters). This further suggests the role of target materials (i.e., frozen volatiles?) in the cratering process on Mars in such regions.

Garvin, J. B.↗

DOE OSTI2026

Importance of finite-size corrections for accurate ab initio modeling of carrier capture at semiconductor defects: A case study of substitutional C N in GaN

In ab initio studies of carrier-capture processes in defective semiconductor materials, the single-effective-mode formalism and the static-coupling approximation have become the predominant theoretical approaches for determining carrier-capture coefficients. The single-mode formalism relies on accurate nonequilibrium defect energies obtained from density-functional theory (DFT), where required inputs are a series of configurationally displaced, defect-containing supercells obtained using an interpolative ansatz, and where the DFT outputs are corresponding total energies that have traditionally been postprocessed using a long-established ground-state formulation of finite-size corrections and defect-formation energies. This formulation remains commonly used even though the defects that form a configuration-coordinate (CC) diagram typically exist as structures that are displaced from the ground state. To remedy this inconsistency, Kumagai has recently proposed novel methods for implementing finite-size corrections specifically intended for DFT calculations of the defect energies used to construct CC diagrams and implement the single-mode formalism [Y. Kumagai, Phys. Rev. B 107, L220101 (2023)]. Kumagai's approach builds on the latest finite-size-correction methods introduced to describe vertical charge-state transitions for charge-localizing point defects in semiconductors and insulators [T. Gake et al., Phys. Rev. B 101, 020102 (2020); S. Falletta et al., Phys. Rev. B 102, 041115 (2020)]. The newly identified finite-size artifact treated in these studies is the polarization charge induced on a configurationally frozen defect and its subsequent interaction with a vertical transition in charge state. In this work, we evaluate Kumagai's proposed methodology by applying it in a high-precision DFT study of carrier capture by substitutional C N in GaN, a well-characterized and technologically relevant defect and material. We have rigorously calculated C N defect energies across various supercell sizes for each defect configuration and charge state on the hole-capture CC diagram of C N (𝑞=−1), enabling a direct comparison of the slopes of the defect energies versus inverse cell size with those predicted by Kumagai. The most consequential prediction of Kumagai's method is that these slopes distinctly vary as the square of the linear-interpolation parameter used to construct the nonequilibrium defect configurations. Our results quantitatively support this prediction. Moreover, with these new finite-size corrections and multiple-cell-size DFT calculations in place, we find that the classical energy barrier for hole capture by C N (𝑞=−1) in GaN decreases to 0.092–0.127 eV. This finding confirms the recent ≈ 0.1 eV prediction of Reshchikov based on the weak temperature dependence for hole capture observed in photoluminescence experiments [M. A. Reshchikov, J. Appl. Phys. 129, 121101 (2021)]. These results stand in stark contrast to previously calculated barriers of 0.486 and 0.73 eV, which also used the single-mode formalism but were obtained by instead using ground-state-based finite-size corrections. Our reduced classical barrier for capture increases the temperature-dependent hole-capture coefficient of a C N (𝑞=−1) defect by more than two to four orders of magnitude for temperatures of 100–600 K, compared to the previous 0.486 eV results. While other defects may not be as dramatically affected as here, we suggest that incorporating proper finite-size corrections for the vertical-transition-like states embedded within CC diagrams is an essential, yet previously unrecognized, component of accurate modeling of carrier-capture when using the single-effective-mode formalism.

dielectric properties↗

NASA NTRS2013

Olivine Weathering aud Sulfate Formation Under Cryogenic Conditions

High resolution photography and spectroscopy of the martian surface (MOC, HiRISE) from orbit has revolutionized our view of Mars with one of the most important discoveries being wide‐spread layered sedimentary deposits associated with sulfate minerals across the low to mid latitude regions of Mars. The mechanism for sulfate formation on Mars has been frequently attributed to playa‐like evaporative environments under prolonged warm conditions. An alternate view of the ancient martian climate contends that prolonged warm temperatures were never present and that the atmosphere and climate has been similar to modern conditions throughout most of its history. This view has had a difficult time explaining the sedimentary history of Mars and in particular the presence of sulfate minerals which seemingly need more water. We suggest here that mixtures of atmospheric aerosols, ice, and dust have the potential for creating small films of cryo‐concentrated acidic solutions that may represent an important unexamined environment for understanding weathering processes on Mars. This study seeks to test whether sulfate formation may be possible at temperatures well below 0degC in water limited environments removing the need for prolonged warm periods to form sulfates on early Mars. To test this idea we performed laboratory experiments to simulate weathering of mafic minerals under Mars‐like conditions. The weathering rates measured in this study suggest that fine grained olivine on Mars would weather into sulfate minerals in short time periods if they are exposed to H2SO4 aerosols at temperatures at or above ‐40degC. In this system, the strength of the acidic solution is maximized through eutectic freezing in an environment where the silicate minerals are extremely fine grained and have high surface areas. This provides an ideal environment despite the very low temperatures. On Mars the presence of large deposits of mixed ice and dust is undisputed. The presence of substantial sulfur‐rich volcanism, and sulfur‐rich surface deposits also makes it very likely that sulfate aerosols have also been an important component of the martian atmosphere. Thus mixtures of ice, dust, and sulfate aerosols are likely to have been common on the martian surface. Given the fact that it is not difficult to achieve surface temperatures above ‐40degC on Mars throughout its history, it seems likely that sulfate formation on Mars is controlled by the availability of sulfate aerosols and not by the martian climate. The current polar regions of Mars and Earth provide interesting analogs. Large regions of sulfaterich material have been detected on and around the modern north polar region of Mars. The prevalence of ice‐dust mixtures in this region and the existence of sulfates within the ice cap itself are strong evidence for the origin of the sulfates from inside the ice deposits. In addition sulfates have been found in ice deposits in Greenland and Mount Fuji on Earth that have been attributed to forming within the ice deposit. These sulfates can form either through interaction with dust particles in the atmosphere or through weathering inside the ice itself.

Niles, Paul B.↗

NASA NTRS2012

Variability and Anomalous Trends in the Global Sea Ice Cover

The advent of satellite data came fortuitously at a time when the global sea ice cover has been changing rapidly and new techniques are needed to accurately assess the true state and characteristics of the global sea ice cover. The extent of the sea ice in the Northern Hemisphere has been declining by about -4% per decade for the period 1979 to 2011 but for the period from 1996 to 2010, the rate of decline became even more negative at -8% per decade, indicating an acceleration in the decline. More intriguing is the drastically declining perennial sea ice area, which is the ice that survives the summer melt and observed to be retreating at the rate of -14% per decade during the 1979 to 2012 period. Although a slight recovery occurred in the last three years from an abrupt decline in 2007, the perennial ice extent was almost as low as in 2007 in 2011. The multiyear ice, which is the thick component of the perennial ice and regarded as the mainstay of the Arctic sea ice cover is declining at an even higher rate of -19% per decade. The more rapid decline of the extent of this thicker ice type means that the volume of the ice is also declining making the survival of the Arctic ice in summer highly questionable. The slight recovery in 2008, 2009 and 2010 for the perennial ice in summer was likely associated with an apparent cycle in the time series with a period of about 8 years. Results of analysis of concurrent MODIS and AMSR-E data in summer also provide some evidence of more extensive summer melt and meltponding in 2007 and 2011 than in other years. Meanwhile, the Antarctic sea ice cover, as observed by the same set of satellite data, is showing an unexpected and counter intuitive increase of about 1 % per decade over the same period. Although a strong decline in ice extent is apparent in the Bellingshausen/ Amundsen Seas region, such decline is more than compensated by increases in the extent of the sea ice cover in the Ross Sea region. The results of analysis of MODIS, AMSR-E and SSM/I data reveal that the sea ice production rate at the coastal polynyas along the Ross Ice Shelf has been increasing since 1992. This also means that the salinization rate and the formation of bottom water in the region are going up as well. Simulation studies indicate that the stronger production rate is likely associated with the ozone hole that has caused a deepening of the lows in the West Antarctic region and therefore stronger winds off the Ross Ice Shelf. Stronger winds causes larger coastal polynyas near the shelf and hence an enhanced ice production in the region during the autumn and winter period. Results of analysis of temperature data from MODIS and AMSR-E shows that the area and concentration of the sea ice cover are highly correlated with surface temperature for both the Arctic and Antarctic, especially in the seasonal regions where the correlation coefficients are about 0.9. Abnormally high sea surface temperatures (SSTs) and surface ice temperatures (SITs) were also observed in 2007 and 2011when drastic reductions in the summer ice cover occurred, This phenomenon is consistent with the expected warming of the upper layer of the Arctic Ocean on account of ice-albedo feedback. Changes in atmospheric circulation are also expected to have a strong influence on the sea ice cover but the results of direct correlation analyses of the sea ice cover with the Northern and the Southern Annular Mode indices show relatively weak correlations, This might be due in part to the complexity of the dynamics of the system that can be further altered by some phenomena like the Antarctic Circumpolar Wave and extra polar processes like the El Nino Southern Oscillation (ENSO) and the Pacific Decadal Oscillation (POD),

Comiso, Josefino C.↗

DOE OSTI2024

Direct Imaging of Asymmetric Interfaces and Electrostatic Potentials inside a Hafnia–Zirconia Ferroelectric Nanocapacitor

In hafnia-based thin-film ferroelectric devices, chemical phenomena during growth and processing, such as oxygen vacancy formation and interfacial reactions, appear to strongly affect device performance. However, the correlation between the structure, chemistry, and electrical potentials at the nanoscale in these devices is not fully known, making it difficult to understand their influence on device properties. Here, we directly image the composition and electrostatic potential with nanometer resolution in the cross section of a nanocrystalline W/Hf 0.5 Zr 0.5 O 2−δ (HZO)/W ferroelectric capacitor using multimodal electron microscopy. This reveals a 1.4 nm wide tungsten suboxide interfacial layer formed at the bottom interface during fabrication, which introduces a potential dip and leads to asymmetric switching fields. Additionally, we compare the measured potentials to DFT calculations and find it is nearly 3 V lower than expected in the HZO, which appears to be caused by oxygen vacancies and a resulting negative built-in potential. In conclusion, these chemical and electrostatic details are important to characterize and tune to achieve high-performance ferroelectric devices.

Defects in solids↗

NASA NTRS1994

Midtail plasma flows and the relationship to near-Earth substorm activity: A case study

Recent simulations of magnetotail reconnection have pointed to a link between plasma flows, dipolarization, and the substorm current wedge. In particular, Hesse and Birn (1991) have proposed that earthward jetting of plasma from the reconnection region transports flux into the near-Earth region. At the inner edge of the plasma sheet this flux piles up, producing a dipolarization of the magnetic field. The vorticity produced by the east-west deflection of the flow at the inner edge of the plasma sheet gives rise to field-aligned currents that have region 1 polarity. Thus in this scenario the earthward flow from the reconnection region produces the dipolarization ad the current wedge in a self-consistent fashion. In this study we examine observations made on April 8, 1985 by the Active Magnetospheric Particle Tracer Explorers (AMPTE)/Ion Release Module (IRM), the geosynchronous satellites 1979-053, 1983-019, and 1984-037, and Syowa station, as well as AE. This event is unique because IRM was located near the neutral sheet in the midnight sector for am extended period of time. Ground data show that there was ongoing activity in the IRM local time sector for several hours, beginning at 1800 UT and reaching a crescendo at 2300 UT. This activity was also accompanied by energetic particle variations, including injections, at geosynchronous orbit in the nighttime sector. Significantly, there were no fast flows at the neutral sheet until the great intensification of activity at 2300 UT. At that time, IRM recorded fast eartheard flow simultaneous with a dipolatization of the magetic field. We conclude that while the aforementioned scenario for the creation of the current wedge encounters serious problems explaining the earlier activity, the observations at 2300 UT are consistent with the scenario of Hesse and Birn (1191). On that basis it is argued that the physics of substorms is not exclusively rooted in the development of a global tearing mode. Processes at the inner edge of the cross-tail current that cause a disruption of the current and a consequent dipolarization and current wedge may be unrelated to the formation of a macroscale reconnection region. Thus the global evolution of a substorm is probably a complicated superposition of such processes operating on a very localized scale and a global macroscale process that allows for such things as releasing te energy stored in lobe flux and creation of plasmoids.

Lopez, R. E.↗

NASA NTRS2015

Python-Based Scientific Analysis and Visualization of Precipitation Systems at NASA Marshall Space Flight Center

At NASA Marshall Space Flight Center (MSFC), Python is used several different ways to analyze and visualize precipitating weather systems. A number of different Python‐based software packages have been developed, which are available to the larger scientific community. The approach in all these packages is to utilize pre‐existing Python modules as well as to be object‐oriented and scalable. The first package that will be described and demonstrated is the Python Advanced Microwave Precipitation Radiometer (AMPR) Data Toolkit, or PyAMPR for short. PyAMPR reads geolocated brightness temperature data from any flight of the AMPR airborne instrument over its 25‐year history into a common data structure suitable for user‐defined analyses. It features rapid, simplified (i.e., one line of code) production of quick‐look imagery, including Google Earth overlays, swath plots of individual channels, and strip charts showing multiple channels at once. These plotting routines are also capable of significant customization for detailed, publication‐ready figures. Deconvolution of the polarization‐varying channels to static horizontally and vertically polarized scenes is also available. Examples will be given of PyAMPR's contribution toward real‐time AMPR data display during the Integrated Precipitation and Hydrology Experiment (IPHEx), which took place in the Carolinas during May‐June 2014. The second software package is the Marshall Multi‐Radar/Multi‐Sensor (MRMS) Mosaic Python Toolkit, or MMM‐Py for short. MMM‐Py was designed to read, analyze, and display three‐dimensional national mosaicked reflectivity data produced by the NOAA National Severe Storms Laboratory (NSSL). MMM‐Py can read MRMS mosaics from either their unique binary format or their converted NetCDF format. It can also read and properly interpret the current mosaic design (4 regional tiles) as well as mosaics produced prior to late July 2013 (8 tiles). MMM‐Py can easily stitch multiple tiles together to provide a larger regional or national picture of precipitating weather systems. Composites, horizontal and vertical crosssections, and combinations thereof are easily displayed using as little as one line of code. MMM‐Py can also write to the native MRMS binary format, and sub‐sectioning of tiles (or multiple stitched tiles) is anticipated to be in place by the time of this meeting. Thus, MMM‐Py also can be used to power the creation of custom mosaics for targeted regional studies. Overlays of other data (e.g., lightning observations) are easily accomplished. Demonstrations of MMM‐Py, including the creation of animations, will be shown. Finally, Marshall has done significant work to interface Python‐based analysis routines with the U.S. Department of Energy's Py‐ART software package for radar data ingest, processing, and analysis. One example of this is the Python Turbulence Detection Algorithm (PyTDA), an MSFC‐based implementation of the National Center for Atmospheric Research (NCAR) Turbulence Detection Algorithm (NTDA) for the purposes of convective‐scale analysis, situational awareness, and forensic meteorology. PyTDA exploits Py‐ART's radar data ingest routines and data model to rapidly produce aviation‐relevant turbulence estimates from Doppler radar data. Work toward processing speed optimization and better integration within the Py‐ART framework will be highlighted. Python‐based analysis within the Py‐ART framework is also being done for new research related to intercomparison of ground‐based radar data with satellite estimates of ocean winds, as well as research on the electrification of pyrocumulus clouds.

Lang, Timothy J.↗

DOE OSTI2025

Light control of intramolecular nuclear dynamics by vortex electron localization

In strong-field ionization of molecules, intense light pulses are thought to have a negligible direct influence on atomic nuclei. Molecular dissociation is thus expected to be determined by the geometrical configuration of the molecular ion at the ionization instant. Contrary to this picture, we observe a counterintuitive electron-proton angular correlation and the formation of proton vortices following strong-field ionization of H 2 molecules by bicircularly polarized two-color laser fields. We explain this phenomenon by the pathway interference and localization of the residual H 2 ⁡+ electron in different angular-momentum states formed in the tail of the driving laser pulse. We validate this interpretation by combining a quantum-mechanical numerical simulation of the field-driven coupled electronic-nuclear dynamics and a semiclassical-trajectory model for the phase accumulation of the laser-driven electronic-nuclear wave packet. Our joint experimental and theoretical study reveals a general picture of vortex electron localization which can be used for controlling molecular-bond breaking with circularly polarized laser fields.

Atomic & molecular processes in external fields↗

NASA NTRS2019

Technology Development for the Modification of High Aspect Ratio Geometries for Thermal and Environmental Control

A key technology development driver in environmental control systems and next generation optics are discussed utilizing thin film development borrowed from the semiconductor industry. The optical and physical properties of spacecraft radiator coatings are dictated by orbital environmental conditions. For example, coatings must adequately dissipate charge buildup when orbital conditions, such as polar, geostationary or gravity neutral, result in surface charging. Current dissipation techniques include depositing a layer of ITO (indium tin oxide) on the radiator surface in a high temperature process. The application of these enhanced coatings must be such that the properties in question are tailored to mission-specific requirements. The multi-billion-dollar semiconductor industry has adopted Atomic Layer Deposition (ALD) for self-assembly and atomic-scale placement. ALD is a cost-effective nanoadditive-manufacturing technique that allows for the conformal coating of substrates with atomic control in a benign temperature and pressure environment. By using ALD, modification of these coatings can be accomplished during coating application preprocessing. The preprocessing is rendered directly on the coating dry pigment before binding. Through the introduction of paired precursor gases, thin films can be deposited on a myriad of substrates ranging from glass, polymers, aerogels, metals, powders, and other high aspect-ratio micro- and nano- structures. By providing atomic-level control, where single layers of atoms can be deposited, the fabrication of metal transparent films, precise nano-laminates, and coatings of nano-channels and pores is achievable. A method has been demonstrated for the ALD of In2O3 and films on a variety of substrates from Si(100) wafers, glass slides, and on Z93P pigments resulting in a direct spaceflight application. Results will be presented that verify the chemical composition of ALD pigments and charge dissipation properties when the pigment goes through its binding and coating process and we present early results of ALD for carbon nanotube formation and encapsulation.

Dwivedi, Vivek H.↗

NASA NTRS2019

Application and Development of Atomic Layer Deposition Techniques to Improve Thermo-Optical Coatings for Spacecraft Thermal Control and Advanced Optical Instruments

Dwivedi, Vivek H.↗

NASA NTRS1989

Properties of grains derived from IRAS observations of dust

The authors used the results of Infrared Astronomy Satellite (IRAS) observations of diffuse medium dust to develop a theoretical model of the infrared properties of grains. Recent models based entirely on traditional observations of extinction and polarization include only particles whose equilibrium temperatures do not exceed 20 K in the diffuse interstellar medium. These classical grains, for which the authors have adopted the multipopulation model developed by Hong and Greenberg (1980), can explain only the emission in the IRAS 100 micron band. The measurements at shorter wavelengths (12, 25 and 60 microns) require two new particle populations. Vibrational fluorescence from aromatic molecules provides the most likely explanation for the emission observed at 12 microns, with polycyclic aeromatic hydrocarbons (PAHs) containing about 10 percent of cosmic carbon. A simplified model of the emission process shows that PAH molecules can also explain most of the emission measured by IRAS at 25 microns. The authors identified the warm particles responsible for the excess 60 microns emission with small (a approx. equals 0.01 microns) iron grains. A compilation of the available data on the optical properties of iron indicates that the diffuse medium temperature of small iron particles should be close to 50 K and implies that a large, possibly dominant, fraction of cosmic iron must be locked up in metallic particles in order to match the observed 60 microns intensities. The model matches the infrared fluxes typically observed by IRAS in the diffuse medium and can also reproduce the infrared surface brightness distribution in individual clouds. In particular, the combination of iron and classical cool grains can explain the surprising observations of the 60/100 microns flux ratio in clouds, which is either constant or increases slightly towards higher opacities. The presence of metallic grains has significant implications for the physics of the interstellar medium, including catalytic H2 formation, for which iron grains could be the main site; differences in depletion patterns between iron and other refractory elements (Mg, Si); and superparamagnetic behavior of large grains with embedded iron clusters giving rise to the observed high degree of alignment by the galactic magnetic field.

Wesselius, P. R.↗