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At least 217 records · Page 12

Ramifications of Ion Migration in 2D Lead Halide Perovskites

Lower dimensional or 2D halide perovskites with their versatile structural and functional properties, are known to improve the performance and room temperature stability of perovskite solar cells. One would expect 2D perovskites to be more resistant to ion migration compared to their 3D counterparts because of the presence of bulky organic cations. However, recent findings show ion migration indeed is prevalent in 2D halide perovskites similar to 3D perovskites. Halide ion migration in 2D perovskites manifests itself as halide ion segregation under photoirradiation as well as in halide exchange between physically paired films of 2D perovskites with different halide ions. Besides halide ion migration, cation migration of spacer cations and A-site cation is also seen when 2D/3D perovskite films are subjected to light and thermal stress. It is important to recognize the importance of ion migration while incorporating 2D perovskites in solar cells and other optoelectronic devices as it can be detrimental for achieving streamlined performance and long-term stability Furthermore, this perspective discusses recent reports on ion migration in 2D and in 2D/3D halide perovskite films under the operational conditions (at elevated temperature and given in-built bias) and presents a few mitigating strategies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Influence of Lake Ice Biases in Reanalysis Data on Downscaled Climate Simulations over the Great Lakes Region

This data package contains observation-based and model-simulated datasets (all provided in NetCDF format) for evaluating how wintertime lake-ice representation affects regional weather and climate over the Laurentian Great Lakes (freshwater lake ecosystem) during the high–ice-cover winter of 2009. The observational component includes: (1) Stage IV gridded precipitation at 4 km, hourly resolution for January–February 2009 over the Great Lakes region (radar–gauge multisensor precipitation analyses); (2) Great Lakes Surface Environmental Analysis (GLSEA) satellite-derived lake-ice coverage at 1.3 km, daily resolution for the 2009 winter months, providing ice coverage over Lakes Superior, Michigan, Huron, Erie, and Ontario; and (3) in situ measurements at the Standard Rock site on Lake Superior from the Great Lakes Evaporation Network (GLEN) at hourly resolution, including near-surface atmospheric variables and sensible and latent heat fluxes (air–lake exchange) at a fixed point location. The modeling component provides corresponding fields from two simulations, both archived at 4 km, hourly resolution: a standalone Weather Research Forecasting model (WRF) run driven by the European Centre for Medium-Range Weather Forecasts (ECMWF) Reanalysis 5 (ERA5), and a two-way coupled model using WRF and the Finite Volume Community Ocean Model (WRF-FVCOM, a 3-D hydrodynamic lake model). These outputs include variables relevant to air–lake interaction and lake-effect processes (e.g., near-surface temperature, humidity, wind, precipitation, and surface turbulent fluxes), enabling direct comparison with the observational datasets. Users can analyze and visualize these NetCDF files with common tools such as Python (e.g., xarray, netCDF4, numpy, pandas), NCO/CDO, Panoply, or ncview; NetCDF variables can also be converted to other formats (e.g., CSV, GeoTIFF) using these utilities.

EARTH SCIENCE > ATMOSPHERE > ATMOSPHERIC TEMPERATU↗

Machine Learning Applications to Metal-Silicate Equilibria and their Insights into Core Formation

An extensive number of studies have experimentally investigated how elements distribute between metal and silicate phases, to better constrain core-mantle chemical equilibrium. Here, we present a new database compiling all (to our knowledge) experimental data on liquid metal-silicate partitioning from 118 peer-reviewed publications. We applied various machine learning techniques to gain further insights into these partitioning equilibria and their dependencies. We performed a network analysis to investigate the relationship between experiments and partition coefficients, which enables visualizing gaps in the experimental dataset and biases related to varying experimental conditions and analytical setup. In addition, semi-empirical thermodynamic models are commonly used to extrapolate these chemical reactions to the wide range of pressure, temperature and compositional conditions of planetary differentiation. These models are based on linear regressions that assume continuous relationship between partition coefficients and experimental variables. Here, we considered random forest regressions, which are algorithms based on ensembles of decision trees and does not consider continuous effects of each variable. The application of this regression significantly improves the prediction of metal-silicate partitioning for several elements including Ni, Si and Cr. We will show how this new approach improves our understanding of elemental exchange between metal and silicate and their implications for the Earth’s core formation.

siderophile element↗

Progress in Atmospheric Carbon Monitoring Using NASA's GEOS Model and Data from the OCO and GOSAT Missions

NASA's Global Modeling and Assimilation Office (GMAO) produces a variety of carbon products based the synthesis of satellite remote sensing data and outputs of the Goddard Earth Observing System (GEOS). This includes bottom-up surface fluxes due to fossil fuel emissions, biomass burning, terrestrial biospheric exchange, and ocean exchangeconstrained by measurements of nighttime lights, fire radiative power, normalized difference vegetation index, and ocean color. These fluxes are the basis of top-down estimates of carbon concentrations and fluxes. In particular, the GMAO system processes retrievals of column carbon dioxide (XCO2) from GOSAT and OCO-2 to produce a high-resolution, long-term global analysis of CO2 in three dimensions every 6 hours. Here, we discuss the potential applications of such products for satellite intercomparison and evaluation against independent, non-coincident data. We also highlight the ability to provide monthly global atmospheric growth rates inferred from the assimilated CO2 concentration product. Finally, we discuss the challenges facing such products including bias correction and the estimation and analysis of model transport errors.

Weir, B.↗

A Vertically Resolved Canopy Improves Chemical Transport Model Predictions of Ozone Deposition to North Temperate Forests

Abstract Dry deposition is the second largest tropospheric ozone (O 3 ) sink and occurs through stomatal and nonstomatal pathways. Current O 3 uptake predictions are limited by the simplistic big‐leaf schemes commonly used in chemical transport models (CTMs) to parameterize deposition. Such schemes fail to reproduce observed O 3 fluxes over terrestrial ecosystems, highlighting the need for more realistic treatment of surface‐atmosphere exchange in CTMs. We address this need by linking a resolved canopy model (1D Multi‐Layer Canopy CHemistry and Exchange Model, MLC‐CHEM) to the GEOS‐Chem CTM and use this new framework to simulate O 3 fluxes over three north temperate forests. We compare results with in situ measurements from four field studies and with standalone, observationally constrained MLC‐CHEM runs to test current knowledge of O 3 deposition and its drivers. We show that GEOS‐Chem overpredicts observed O 3 fluxes across all four studies by up to 2×, whereas the resolved‐canopy models capture observed diel profiles of O 3 deposition and in‐canopy concentrations to within 10%. Relative humidity and solar irradiance are strong O 3 flux drivers over these forests, and uncertainties in those fields provide the largest remaining source of model deposition biases. Flux partitioning analysis shows that: (a) nonstomatal loss accounts for 60% of O 3 deposition on average; (b) in‐canopy chemistry makes only a small contribution to total O 3 fluxes; and (c) the CTM big‐leaf treatment overestimates O 3 ‐driven stomatal loss and plant phytotoxicity in these temperate forests by up to 7×. Results motivate the application of fully online vertically explicit canopy schemes in CTMs for improved O 3 predictions.

Vermeuel, Michael P. [Department of Soil, Water, a↗

Drivers of Air-Sea CO2 Flux Seasonality and its Long-Term Changes in the NASA-GISS Model CMIP6 Submission.

Climate change will affect both the mean state and seasonality of marine physical and biogeochemical properties, with important implications for the oceanic sink of atmospheric CO2. Here, we investigate the seasonal cycle of the air-sea exchange of CO2 and pCO2,sw (surface seawater pCO2) and their long term changes using the CMIP6 submission of the NASA-GISS modelE (GISS-E2.1-G). In comparison to the CMIP5 submission (GISS-E2-R), we find that on the global scale, the seasonal cycles of the CO2 flux and NPP have improved, while the seasonal cycles of DIC, alkalinity, and macronutrients have deteriorated. Moreover, for all ocean biogeochemietry fields, changes in skill between E2.1-G and E2-R display large regional variability. For E2.1-G, we find similar modeled and observed CO2 flux seasonal cycles in the subtropical gyres, where seasonal anomalies of pCO2,sw and the flux are temperature-driven, and the Southern Ocean, where anomalies are DIC-driven. Biases in these seasonal cycles are largest in the subpolar and equatorial regions, driven by a combination of biases in temperature, DIC, alkalinity, and wind speed. When comparing the historical simulation to a simulation with an idealized increase in atmospheric pCO2, we find that the seasonal amplitudes of the CO2 flux and pCO2,sw generally increase. These changes are produced by increases in the sensitivity of pCO2,sw to its respective drivers. These findings are consistent with the notion that the sensitivity of pCO2,sw is expected to increase due to the increase of atmospheric pCO2, with changes in the seasonality of temperature, DIC, and alkalinity having secondary influences.

Air-Sea CO2↗

Mesoscale Simulations of a Florida Sea Breeze Using the PLACE Land Surface Model Coupled to a 1.5-Order Turbulence Parameterization

A sophisticated land-surface model, PLACE, the Parameterization for Land Atmospheric Convective Exchange, has been coupled to a 1.5-order turbulent kinetic energy (TKE) turbulence sub-model. Both have been incorporated into the Penn State/National Center for Atmospheric Research (PSU/NCAR) mesoscale model MM5. Such model improvements should have their greatest effect in conditions where surface contrasts dominate over dynamic processes, such as the simulation of warm-season, convective events. A validation study used the newly coupled model, MM5 TKE-PLACE, to simulate the evolution of Florida sea-breeze moist convection during the Convection and Precipitation Electrification Experiment (CaPE). Overall, eight simulations tested the sensitivity of the MM5 model to combinations of the new and default model physics, and initialization of soil moisture and temperature. The TKE-PLACE model produced more realistic surface sensible heat flux, lower biases for surface variables, more realistic rainfall, and cloud cover than the default model. Of the 8 simulations with different factors (i.e., model physics or initialization), TKE-PLACE compared very well when each simulation was ranked in terms of biases of the surface variables and rainfall, and percent and root mean square of cloud cover. A factor separation analysis showed that a successful simulation required the inclusion of a multi-layered, land surface soil vegetation model, realistic initial soil moisture, and higher order closure of the planetary boundary layer (PBL). These were needed to realistically model the effect of individual, joint, and synergistic contributions from the land surface and PBL on the CAPE sea-breeze, Lake Okeechobee lake breeze, and moist convection.

Lynn, Barry H.↗

Quantifying spatial and vertical variations in soil C:N relationships in permafrost-affected landscapes

Permafrost regions are experiencing rapid changes that affect carbon (C) and nitrogen (N) cycles, with implications for vegetation dynamics and gas exchanges with the atmosphere. Soil C:N ratio is a key indicator of organic matter quality, yet spatial estimates of N stocks and C:N ratios lag behind those for C. We used quantile regression forests to compare direct and indirect digital soil mapping approaches for predicting soil C:N ratios at 0–30, 30–60, and 60–100 cm depths across a latitudinal transect in Alaska. The indirect approach – deriving C:N from separately predicted C and N stocks – outperformed direct mapping for the surface layer (0–30 cm), while direct mapping was marginally better at greater depths. However, prediction accuracy decreased with depth for both methods. Temperature and topography were the most important predictors. Both approaches overestimated low and underestimated high C:N ratios, with direct mapping showing greater bias. Our results underscore the challenges of modeling C:N ratios in heterogeneous, data-sparse permafrost soils, but also suggest that indirect mapping holds promise if supported by more extensive datasets.

54 ENVIRONMENTAL SCIENCES↗

The Role of Non-Local Effects on Surface Sensible Heat Flux Under Different Types of Thermal Structures Over the Arctic Sea-Ice Surface

The effects of atmospheric thermal structure on the surface energy flux are poorly understood over the Arctic sea-ice surface. Here, we explore the mechanism of sensible heat exchange under different types of thermal structures over the Arctic sea-ice surface by using data collected during the Multidisciplinary drifting Observatory for the Study of Arctic Climate expedition. The quadrant analysis indicates that strong surface temperature inversions below 100 m enhance non-local effects on the positive (upward) sensible heat flux ($\overline{w'θ'}$) through entrainment of large eddies from the convective boundary layer aloft. However, strong surface inversions restrict the contributions of large eddies to the negative (downward) $\overline{w'θ'}$ due to intensified surface stability. By inspecting the existing parameterization schemes, we found that the European Center for Medium-Range Weather Forecasts Integrated Forecasting System scheme fails to predict the impacts of non-local processes on the positive $\overline{w'θ'}$, and an adjustment term to correct the bias of parameterized $\overline{w'θ'}$ is proposed.

54 ENVIRONMENTAL SCIENCES↗

What’s That Supposed to Mean? Capturing Micro-Behaviors in Teams

Future long-duration space exploration (LDSE) crews will require extensive coordination, cooperation, and team functioning as they face a myriad of challenges rooted in both taskwork and teamwork (Bell et al., 2015; Landon et al., 2018). While exposed to extreme conditions, crew members must navigate living and working together in prolonged confinement. Moreover, astronaut teams are becoming increasingly diverse, introducing significant variability in team composition. This increasing diversity, alongside traditional constraints of LDSE, introduces additional challenges into effective team functioning. To date, most methods for capturing team functioning rely on self-report measures. Such measures are prone to several limitations, including but not limited to social desirability bias, halo effect, and leniency effects (Trull & Ebner-Priemer, 2013), which skew data and limit nuanced understandings of phenomena at play. Self-report measures broadly capture team functioning, lending the nature of such methods to identifying underlying “macro”-behaviors (i.e., behaviors that are long-standing and last over time). However, team functioning is far more complex than a series of macro-behaviors, rendering reliance on self-report data deficient for accurate measurement. Recent research demonstrates the potential of alternative methods for capturing team functioning, such as speech and physiological data (Chaffin et al., 2017; Murray & Oertel, 2018). Consequently, these methods are more suitable for capturing micro-behaviors: brief, often unconscious expressions that affect the extent to which an individual feels included by others around them (Paletz et al., 2013). Micro-behaviors can be further classified into microaggressions (i.e., subtle, negative exchanges; Keller & Galgay, 2010) or micro-affirmations (i.e., subtle, positive exchanges; Kyte et al. 2020), both of which influence team functioning. Due to the subtle nature of micro-behaviors, contextual factors have a significant impact when determining if it is aggressive or affirmative. Additionally, several iterations of microbehaviors can have lingering effects on team interactions. For example, the use of “mm-hmm” by a crew member can function as both a micro-affirmation and micro-aggression. Specifically, it can be indication of active listening (i.e., micro-affirmation) or as an expression of annoyance (i.e., aggression) depending on the context in which it occurs. Auditory features (e.g., tone, frequency) can help delineate between the two forms; however, the contextual factors (e.g., previous interactions between team members, crew demographics) add a layer of complexity that render auditory features alone as insufficient to capture micro-behaviors. Consequently, this paper seeks to provide a novel approach in which multi-modal data (i.e., auditory features and contextual features) are used in a random-forest model to better identify distinguishing characteristics between micro-affirmations and micro-aggressions. In turn, detected micro-behaviors are used to predict team performance, thereby demonstrating the value of capturing micro-behaviors as supplemental data to macro-behaviors.

Sydney R. Begerowski↗

Development of a multi-layer canopy model for E3SM Land Model with support for heterogeneous computing

The vertical structure of vegetation canopies creates micro-climates. However, the land components of most Earth System Models, including the Energy Exascale Earth System Model (E3SM), typically neglect vertical canopy structure by using a single layer big-leaf representation to simulate water, CO 2 , and energy exchanges between the land and the atmosphere. In this study, we developed a Multi-Layer Canopy Model for the E3SM Land Model to resolve the micro-climate created by vegetation canopies. The model developed in this study re-implements the CLM-ml_v1 to support heterogeneous computing architectures consisting of CPUs and GPUs and includes three additional optimization-based stomatal conductance models. The use of Portable, Extensible Toolkit for Scientific Computation provides a speedup of 25–50 times on a GPU relative to a CPU. The numerical implementation of the model was verified against CLM-ml_v1 for a month-long simulation using data from the Ameriflux US-University of Michigan Biological Station site. Model structural uncertainty was explored by performing control simulations for five stomatal conductance models that exclude and include the control of plant hydrodynamics (PHD) on photosynthesis. The bias in simulated sensible and latent heat fluxes was lower when PHD was accounted for in the model. Additionally, six idealized simulations were performed to study the impact of three environmental variables (i.e. air temperature, atmospheric CO 2 , and soil moisture) on canopy processes (i.e. net CO 2 assimilation, leaf temperature, and leaf water potential). Increasing air temperature reduced net CO 2 assimilation and increased air temperature. Net CO 2 assimilation increased at higher atmospheric CO 2 , while decreasing soil moisture resulted in lower leaf water potential.

54 ENVIRONMENTAL SCIENCES↗

On the Nature of Field-Enhanced Water Dissociation in Bipolar Membranes

Bipolar membranes (BPMs) possess the potential to optimize pH environments for electrochemical synthesis applications when employed in reverse bias. Unfortunately, the performance of BPMs in reverse bias has long been limited by the rate of water dissociation (WD) occurring at the interface of the BPM. Herein, we develop a continuum model of the BPM that agrees with experiment to understand and enhance WD catalyst performance by considering multiple kinetic pathways for WD in the BPM junction catalyst layer. Here, the model reveals that WD catalysts with a more highly alkaline or acidic pH at the point of zero charge (pH PZC ) exhibit accelerated WD kinetics because the more acidic or alkaline pH PZC catalysts possess greater surface charge, enhancing the local electric field and rate of WD. The model is then employed to explore the sensitivity of the BPM performance to various BPM physical parameters. Finally, the model is used to simulate the operation of bimetallic WD catalysts, demonstrating that an optimal bimetallic catalyst has an acidic pH PZC catalyst matched with the cation-exchange layer and an alkaline pH PZC catalyst matched with the anion-exchange layer. The study provides insight into the operation of BPM WD catalysts and gives direction toward the development of next-generation WD catalysts for optimal BPM performance under water-splitting and related conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

What’s That Supposed to Mean? Capturing Micro-Behaviors in Teams

Future long-duration space exploration (LDSE) crews will require extensive coordination, cooperation, and team functioning as they face a myriad of challenges rooted in both taskwork and teamwork (Bell et al., 2015; Landon et al., 2018). While exposed to extreme conditions, crew members must navigate living and working together in prolonged confinement. Moreover, astronaut teams are becoming increasingly diverse, introducing significant variability in team composition. This increasing diversity, alongside traditional constraints of LDSE, introduces additional challenges into effective team functioning. To date, most methods for capturing team functioning rely on self-report measures. Such measures are prone to several limitations, including but not limited to social desirability bias, halo effect, and leniency effects (Trull & Ebner-Priemer, 2013), which skew data and limit nuanced understandings of phenomena at play. Self-report measures broadly capture team functioning, lending the nature of such methods to identifying underlying “macro”-behaviors (i.e., behaviors that are long-standing and last over time). However, team functioning is far more complex than a series of macro-behaviors, rendering reliance on self-report data deficient for accurate measurement. Recent research demonstrates the potential of alternative methods for capturing team functioning, such as speech and physiological data (Chaffin et al., 2017; Murray & Oertel, 2018). Consequently, these methods are more suitable for capturing micro-behaviors: brief, often unconscious expressions that affect the extent to which an individual feels included by others around them (Paletz et al., 2013). Micro-behaviors can be further classified into micro-aggressions (i.e., subtle, negative exchanges; Keller & Galgay, 2010) or micro-affirmations (i.e., subtle, positive exchanges; Kyte et al. 2020), both of which influence team functioning. Due to the subtle nature of micro-behaviors, contextual factors have a significant impact when determining if it is aggressive or affirmative. Additionally, several iterations of micro-behaviors can have lingering effects on team interactions. For example, the use of “mm-hmm” by a crew member can function as both a micro-affirmation and micro-aggression. Specifically, it can be indication of active listening (i.e., micro-affirmation) or as an expression of annoyance (i.e., aggression) depending on the context in which it occurs. Auditory features (e.g., tone, frequency) can help delineate between the two forms; however, the contextual factors (e.g., previous interactions between team members, crew demographics) add a layer of complexity that render auditory features alone as insufficient to capture micro-behaviors. Consequently, this paper seeks to provide a novel approach in which multi-modal data (i.e., auditory features and contextual features) are used in a random-forest model to better identify distinguishing characteristics between micro-affirmations and micro-aggressions. In turn, detected micro-behaviors are used to predict team performance, thereby demonstrating the value of capturing micro-behaviors as supplemental data to macro-behaviors.

Sydney Begerowski↗

An Optimized Parameterization of Sub‐Grid Scale Advection for Convection Permitting Models

Convection‐permitting models (CPMs) explicitly resolve deep convection yet under‐resolve the organized lateral exchanges among drafts and their environment that control entrainment/detrainment, precipitation efficiency, and mesoscale structure. In this work, we introduce the Optimized Advection Scheme (OAS), which introduces a small rotation of the Cartesian frame of reference for the horizontal winds relative to other variables used in advection that induces cross‐gradient transport to mimic under‐resolved convective mixing. The rotation angle is selected to minimize the Kullback–Leibler divergence between the simulated and satellite observed precipitation intensity distributions, yielding a physically consistent perturbation that is computationally inexpensive and portable. Optimized Advection Scheme is implemented in WRF and evaluated over Amazon (April 2014). It shifts precipitation–precipitable‐water joint distributions toward lighter rain, reduces overly intense rates, and improves mesoscale convective system (MCS) lifetime and propagation. Mechanistically, the added cross‐gradient transport promotes convective detrainment and environmental mixing, which cools and moistens the mid‐troposphere, weakens downward momentum transport, alleviates excessive downwelling shortwave biases, and warms the surface temperature. The optimized rotation angle yields comparable improvements at 4‐km and 1‐km grid spacing, demonstrating resolution‐independent benefits across the CPM gray zone. By targeting the dynamical root of under‐mixed convective circulations, rather than tuning model microphysics or closures, OAS delivers robust, scale‐aware improvements in precipitation statistics, cloud vertical structure, and characteristics of MCS (MCSs), offering a practical pathway to more reliable CPM simulations for weather and climate applications.

CPM↗

Elucidating ion capture and transport mechanisms of Preyssler anions in aqueous solutions using biased MACE-accelerated MD simulations

Equilibrium and biased multi-atomic cluster expansion (MACE) accelerated molecular dynamics (MD) simulations in aqueous solutions are performed to investigate the ion capture and transport mechanisms of the {P 5 W 30 } Preyssler anion (PA) as the smallest representative member of the extended polyoxometalate (POM) family with an internal cavity. The unique interatomic interactions present in the internal cavity vs the exterior of PA are carefully investigated using equilibrium MACE MD simulations for two representative Na(H 2 O)@PA and Na@PA complexes in aqueous solutions. Our careful analyses of radial distribution functions and coordination numbers show that the presence of confined water in Na(H 2 O)@PA has profound modulating effects on the nature of the interactions of the encapsulated ion with the oxygens of the PA cavity. Using well-converged MACE-accelerated multiple walker well-tempered metadynamics simulations with nanosecond timescales, two different associative (ion exchange) and dissociative (ion ejection) ion transport mechanisms were carefully investigated for Na + as one of the most abundant and representative ions present in seawater and saline solutions. By comparing systems with and without confined water, it was found that the presence of only one pre-encapsulated confined water in Na(H 2 O)@PA dramatically changes the free energy landscape of ion transport processes. It was also found that the contraction and dilation of the two windows present in PA directly influence the Na + and H 2 O transport. Furthermore, the results from this work are helpful, as they show a viable path toward tuning the ion exchange and transport phenomena in aqueous solutions of POM molecular clusters and frameworks.

25 ENERGY STORAGE↗

Extratropical Stratosphere-Troposphere Mass Exchange

Global net mass flux between the troposphere and the stratosphere can be computed simply by estimating the heating rate along the 380K isentropic surface and the time rate of change of the lower most stratosphere (region between the tropopause and 380K). Given the net tropopause mass flux and the cross tropopause diabatic flux, the residual adiabatic mass flux can be estimated. These fluxes have been computed using three different meteorological data sets, the FVGCM and two assimilation data sets, FVDAS, and UKMO, using the 3.5 PVU defined tropopause. For all three data sets, the extratropical diabatic flux across the tropopause is generally to be larger than the net flux cross tropopause flux implying that there is a net extra-tropical adiabatic flux of air from the troposphere into the middle world stratosphere. This adiabatic flux is four to five times larger than the flux into the stratosphere across the tropical tropopause. For the FVDAS, the tropopause diabatic flux is smaller than UKMO as a result of colder tropopause temperatures. The difference in the diabatic mass fluxes by almost a factor of two between the two data assimilation meteorological analyses is much larger than the interannual variability in the UKMO or FVGCM data sets. Compared to radiosonde estimated tropopause temperatures, both data assimilation tropopause temperatures are warm biased due to a low bias in the tropopause heights. These comparisons point to the PV determination of the tropopause height as the source of the differences in the mass fluxes.

Schoeberl, Mark↗

Effects of the Antenna Aperture on Remote Sensing of Sea Surface Salinity at L-Band

Remote sensing of sea surface salinity with sufficient accuracy to meet the needs of global oceanography is a challenging task. The global variability of the salinity signal in the open ocean is only a few Kelvin even at L-band and an accuracy on the order of 0.1K is desired to study the influence of salinity on ocean circulation and energy exchange with the atmosphere. On the other hand, resolution is not an issue for understanding the dynamics of the open ocean where scales of hundreds of km are not uncommon. This permits remote sensing with large antenna footprints and spatial averaging to reduce noise. However, antennas with large footprints introduce other problems. For example, the angle of incidence and hence the brightness temperature varies over the footprint. Similarly, the polarization of brightness temperature relative to the antenna ports changes. Studies have been conducted using antenna patterns representative of the antenna that will be flown on the Aquarius mission to examine these effects. Aquarius is a pushbroom style radiometer with three beams looking across track away from the sun. The beams are at incidences angles (at the spacecraft) of about 26.5, 34 and 40 degrees each with a half-power beam width of about 5.8 degrees. It is shown that the measured brightness temperature is biased relative to the value at boresight because of changes across the field of view. The bias can be as much as 4K and positive or negative depending on polarization. Polarization mixing because of the variations of the local plane of incidence across the footprint also occur and can result in biased polarimetric measurements. A bias in the third Stokes parameter of as much as 0.4K is possible. Such effects may affect algorithms that use the third Stokes parameter to correct for Faraday rotation. Another issue associated with the antenna is sun glint. This is an issue determined by surface roughness and antenna sidelobes. Examples will be given for the random component (glint) for the case of the Aquarius antenna beams. Fortunately, the Aquarius beams mostly look to the dark side of the day-night termination, but during some portions of the year they will see sun-lighted ocean. In this case, glint could be an issue for the inner-most beam.

Dinnat, Emmanuel P.↗

Phonon-informed Neural Thermal Scattering (NeTS) Optimization for Crystalline Graphite and Beryllium Metal

Fast neutrons born from fission lose energy through scattering interactions in the process of slowing-down. As neutrons thermalize to the order of $k$ $b$ $T$ (where $k$ $b$ is the Boltzmann constant, and $T$ is the temperature of the medium), their de Broglie wavelength and energy approaches the order of inter-atomic spacing and quantized lattice vibrations, i.e., phonons. At thermal energies, the thermal scattering law (TSL), i.e., $S$($α, β$), captures crystal binding contributions to the total reaction rate, or cross section. This dimensionless material property describes the energy ($β$) and momentum ($α$) exchanges available in a medium. Currently, $S$($α, β$) is evaluated in the Full Law Analysis Scattering System Hub (FLASSH) code for discrete inputs and stored as ENDF/B File 7 for 0-phonon elastic (MT 2) and n-phonon inelastic (MT 4) processes. Further processing recasts $S$($α, β$) into cumulative distribution functions for sampling post-collision scattering kinematics. In practice, interpolation schemes are employed to access data between tabulated values. An improvement to this juncture of the nuclear data pipeline is supplying cross sections on-the-fly (OTF), as has been developed for the un-resolved resonance region to minimize non-physical interpolation errors. This capability may improve simulation accuracy for accident and transient analyses, where rapidly varying changes in temperature and pressure are difficult to predict beforehand. To do so, deep artificial neural networks (ANNs) can be employed which collapse non-linear, complex data into a lightweight dictionary of neural weights and biases. This has been successfully demonstrated for the hydrogen in light water $S$($α, β$) dataset in the form of a Neural Thermal Scattering (NeTS) module. In this work, the NeTS framework is extended to consider the impact of material-dependent dynamical features on optimal neural pre-processing and architecture design decisions, such as number of neurons per hidden layer, residual skip connections and neural depth. New NeTS modules for crystalline graphite and beryllium metal illuminate a novel correlation between dynamical nonlinearity and optimal neural parametrization when deploying $S$($α, β$) on-the-fly.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗