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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Cation-π Bonding in Actinides: UO x + (Benzene) ( x = 0, 1, 2) Complexes Studied with Threshold Photodissociation Spectroscopy and Theory

Cation-π complexes of the form UO x + (benzene) (x = 0, 1, 2) are produced by laser vaporization and cooled in a supersonic molecular beam. These ions are mass selected and studied with UV–visible laser photodissociation spectroscopy. Each of these complexes photodissociates by elimination of the benzene ligand. Above an energetic threshold, the absorption and photodissociation are continuous, indicating a high density of strongly coupled electronic states. The thresholds for the dissociation of each of these three complexes are measured and assigned as their respective bond dissociation energies. The bond energies determined [U + –(benzene): 42.5 ± 0.3 kcal/mol; UO + –(benzene): 41.0 ± 0.3 kcal/mol; UO 2 + –(benzene): 39.7 ± 0.3 kcal/mol] are comparable to those of transition metal ion-benzene complexes. Computational studies at the DFT/B3LYP level complement the experiments, predicting dissociation energies in reasonably good agreement with the experiments. Experiments and theory agree that the U+(benzene) complex is more strongly bound than its corresponding oxide ions. This new thermochemistry on actinide cation-π bonding should stimulate higher-level computational studies on these systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

Solar flares, the lunar surface, and gas rich meteorites

Investigations on the Fe-group nuclei track density vs depth in lunar rocks and Surveyor 3 TV camera filter glass were critically examined considering more factors than previously. The analysis gives a firmer basis to the observation of the preferential leakage of low energy Fe nuclei from the accelerating region of the sun. The track density gradients in lunar rock 12022 and filter glass are used to determine the lunar erosion rate of 3 angstroms/yr. Track gradients are less steep than predicted from energy spectrum observed in the Surveyor glass, perhaps due to sputtering. High densities of etchable tracks were found at all depths down to 60 cm in fines from Apollo cores and also in thin sections of the Pesjanoe, Pantar, and Fayetteville gas-rich meteorites. It is felt unlikely that suprathermal heavy ions were responsible for the high track densities.

Barber, D. J.↗
DOE OSTI2022

Field Validation of a Building Operating System Platform

The U.S General Services Administration's (GSA's) Green Proving Ground program, in partnership with the National Renewable Energy Laboratory. completed a large pilot study of an Energy Management Information Systems (EMIS) with Automated System Optimization (ASO). Four test bed facilities, each with different building characteristics and systems, were chosen for the implementation of cloud-based EMIS with ASO. Depending on functionality, this tool can be extremely effective in energy management and energy optimization in buildings. The capabilities evaluated in the pilot ranged from energy savings and energy consumption predictions to evaluations of user acceptance, operability, and ease of installation. This report presents the methodology, lessons learned and best practices, and deployment recommendations for the GSA's portfolio of commercial office space, comprising more than 8,500 properties.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Computational Investigation of a CO 2 Conversion Strategy via Diels–Alder Reaction in a Carbon Capture Solvent

Molecular-level insights into reactive separations are crucial for the design of new conversion pathways of carbon dioxide (CO 2 ). This work explores a postulated pathway that directs CO 2 to undergo inverse-electron-demand Diels–Alder reactions to produce heterocycles using the CO 2 chemically fixed on water-lean solvent molecules. Density functional theory calculations are applied to evaluate the lowest unoccupied molecular orbital (LUMO) energies of three types of reactants (1,3-butadiene, 1,3-cyclohexadiene, and 1,2,4,5-tetrazine) with various functional substituents. These calculations also provide a data set (5.8k data) for developing a machine learning model to efficiently predict LUMO energies. A computational screening of LUMO energies for an additional 47k diene and tetrazine candidates is performed, and a list of candidates with lowered LUMO energies by electron-withdrawing substituents is provided. These candidates are further examined by their reaction energy barriers computed from the interatomic potential or density functional theory. Two major energy barriers are identified, one for the proton transfer within the water-lean solvent and the other for the CO 2 transfer from the solvent molecule to the reactant candidate (diene or tetrazine). The functional substituents have a more significant impact on the second barrier but a very slight one on the first barrier. This exploratory work demonstrates a new possibility for guiding experimental efforts toward the chemical conversion of fixated CO 2 to value-added compounds.

Chemical reactions↗
DOE OSTI2021

A synthetic building operation dataset

Abstract This paper presents a synthetic building operation dataset which includes HVAC, lighting, miscellaneous electric loads (MELs) system operating conditions, occupant counts, environmental parameters, end-use and whole-building energy consumptions at 10-minute intervals. The data is created with 1395 annual simulations using the U.S. DOE detailed medium-sized reference office building, and 30 years’ historical weather data in three typical climates including Miami, San Francisco, and Chicago. Three energy efficiency levels of the building and systems are considered. Assumptions regarding occupant movements, occupants’ diverse temperature preferences, lighting, and MELs are adopted to reflect realistic building operations. A semantic building metadata schema - BRICK, is used to store the building metadata. The dataset is saved in a 1.2 TB of compressed HDF5 file. This dataset can be used in various applications, including building energy and load shape benchmarking, energy model calibration, evaluation of occupant and weather variability and their influences on building performance, algorithm development and testing for thermal and energy load prediction, model predictive control, policy development for reinforcement learning based building controls.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1994

Analysis of subgrid models using direct and large-eddy simulations of isotropic turbulence

Direct and large eddy simulations of forced and decaying isotropic turbulence have been performed using a pseudospectral and a finite-difference code. Subgrid models that include a one-equation subgrid kinetic energy model with and without a stochastic backscatter forcing term and a new scale similarity model have been analyzed in both Fourier space and physical space. The Fourier space analysis showed that the energy transfer across the cutoff wavenumber k(sub c) is dominated by local interaction. The correlation between the exact and the modeled (by a spectral eddy viscosity) nonlinear terms and the subgrid energy transfer in physical space was found to be quite low. In physical space, a similar correlation analysis was carried out using top hat filtering. Results show that the subgrid stress and the energy flux predicted by the subgrid models correlates very well with the exact data. The scale similarity model showed very high correlation for reasonable grid resolution. However, with decrease in grid resolution, the scale similarity model became more uncorrelated, when compared to the kinetic energy subgrid model. The subgrid models were then used for large-eddy simulations for a range of Reynolds number. It was determined that the dissipation was modeled poorly and that the correlation with the exact results was quite low for all the models. In general, for coarse grid resolution, the scale similarity model consistently showed very low correlation while the kinetic energy model showed a relatively higher correlation. These results suggest that to use the scale similarity model relatively fine grid resolution may be required, whereas, the kinetic energy model could be used even in coarse grid.

Menon, S.↗
NASA NTRS2021

Application of a Developmental Composite Material Model to Predict the Crush Response of Two Energy Absorbers

In 2012, a consortium was formed with the goal of creating a new composite material model capable of predicting the wide range of properties, accumulated damage behavior, and the many different types of failure in composites under impact loading. The material model was developed for execution in the commercially available nonlinear, explicit transient dynamic finite element code, LS-DYNA®. This material model incorporates three sub-models: deformation, damage, and failure. In addition, the model accounts for strain rate and temperature effects and relies heavily on the input of tabulated material response data. The model is designated *MAT_COMPOSITE_TABULATED_PLASTICITY_DAMAGE, or *MAT_213. Initially, *MAT_213 was developed for use with solid elements only; however, a thin shell element formulation for *MAT_213 has been adapted recently. The objective of this project was to find a suitable modeling example to investigate the capabilities and performance of *MAT_213. In 2012, two composite energy absorbers were designed and evaluated at NASA Langley Research Center through multi-level testing and simulation. The first was a conical-shaped energy absorber, designated the conusoid, which consisted of four layers of hybrid carbon-Kevlar® plain-weave fabric oriented at [+45°/-45°/-45°/+45°] with respect to the vertical direction. The second was a sinusoidal-shaped energy absorber, designated the sinusoid, which consisted of hybrid carbon-Kevlar® plain-weave fabric face sheets, two layers for each face sheet oriented at ±45° with respect to the vertical direction, and a closed-cell ELFOAM® P200 polyisocyanurate foam core. Finite element models were developed of the energy absorbers and simulations were performed using LS-DYNA®. In this paper, the development of a *MAT_213 model of a hybrid carbon-Kevlar® plain-weave fabric is presented. Next, comparisons with material characterization tests are presented. Then, test-analysis results are documented for each energy absorber as comparisons of time-history responses, as well as predicted and experimental structural deformations and progressive damage under impact loading using the *MAT_213 material model. Since a prior *MAT_58, or *MAT_LAMINATED_COMPOSITE_FABRIC material model was used in previous simulations of the energy absorbers, comparisons are made between *MAT_58 and *MAT_213 model predictions with test data. Finally, the paper includes a comprehensive list of “lessons learned,” in which a series of parametric studies are documented that were performed to investigate specific issues related to the material model. These “lessons learned” are included in hopes that they may help future *MAT_213 users.

crashworthiness, LS-DYNA transient dynamic simulat↗
DOE OSTI2026

Validating Simulated Models of Energy Consumption by a Battery Electric Motorcoach: A real-world deployment in a harsh climate.

Many efforts have been made to simulate energy consumption of battery electric buses (BEBs) to optimize their deployment into existing fleets. The models produced, however, are rarely validated against real-world consumption data, limiting their generalizability and widespread application to fleets around the US. Furthermore, a major concern specific to BEBs is the effects of harsh climates on their performance. We build upon the state-of-the-art energy consumption modeling techniques developed for BEBs and apply them to a unique geographic context and a unique electrified vehicle. This geography, climate, and vehicle further the existing understanding of the factors affecting medium- and heavy-duty electric vehicles (MHDEVs) by allowing for new relationships to be tested and by assessing the generalizability of known relationships to new contexts. We find that temperature is less predictive of energy consumption for the battery electric motorcoach (BEM) in the case study environment than it is for BEBs in other studies. A mitigating factor that we presume to be working on the relationship between temperature and energy consumption is the fact that the BEM route does not stop between origin and destination to exchange passengers, and in turn, conditioned cabin air. Our model also incorporates wind speed and direction relative to travel, which is a novel contribution of our methodology. Results from our study are helpful for transit service planners, fleet operators, and logistics firms for improving their ability to predict performance of potential deployments of MHDEVs into existing operations.

32 - ENERGY CONSERVATION, CONSUMPTION, AND UTILIZA↗
NASA NTRS1993

The helical decomposition and the instability assumption

Direct numerical simulations show that the triadic transfer function T(k,p,q) peaks sharply when q (or p) is much smaller than k. The triadic transfer function T(k,p,q) gives the rate of energy input into wave number k from all interactions with modes of wave number p and q, where k, p, q form a triangle. This observation was thought to suggest that energy is cascaded downscale through non-local interactions with local transfer and that there was a strong connection between large and small scales. Both suggestions were in contradiction with the classical Kolmogorov picture of the energy cascade. The helical decomposition was found useful in distinguishing between kinematically independent interactions. That analysis has gone beyond the question of non-local interaction with local transfer. In particular, an assumption about the statistical direction of triadic energy transfer in any kinematically independent interaction was introduced (the instability assumption). That assumption is not necessary for the conclusions about non-local interactions with local transfer recalled above. In the case of turbulence under rapid rotation, the instability assumption leads to the prediction that energy is transferred in spectral space from the poles of the rotation axis toward the equator. The instability assumption is thought to be of general validity for any type of triad interactions (e.g. internal waves). The helical decomposition and the instability assumption offer detailed information about the homogeneous statistical dynamics of the Navier-Stokes equations. The objective was to explore the validity of the instability assumption and to study the contributions of the various types of helical interactions to the energy cascade and the subgrid-scale eddy-viscosity. This was done in the context of spectral closures of the Direct Interaction or Quasi-Normal type.

Waleffe, Fabian A.↗
DOE OSTI2022

Superradiance and Directional Exciton Migration in Metal–Organic Frameworks

Crystalline metal–organic frameworks (MOFs) are promising synthetic analogues of photosynthetic light-harvesting complexes (LHCs). The precise assembly of linkers (organic chromophores) around the topology-defined pores offers the evolution of unique photophysical behaviors that are reminiscence of LHCs. These include MOF excited states with photoabsorbed energy that is spatially dispersed over multiple linkers defining the molecular excitons. The multilinker molecular excitons display superradiance–a hallmark of coupled oscillators seen in LHCs–with radiative rate constant (k rad ) exceeding that of a single linker. Our theoretical model and experimental results on three zirconium MOFs, namely, PCN-222(Zn), NU-1000, and SIU-100, with similar topology but varying linkers suggest that the size of such molecular excitons depends on the electronic symmetry of the linker. This multilinker exciton model effectively predicts the energy transfer rate constant; corresponding single-step exciton hopping time, ranging from a few picoseconds in SIU-100 and NU-1000 to a few hundreds of picoseconds in PCN-222(Zn), matches well with the experimental data. The model also predicts the anisotropy of exciton displacement with preferential migration along the crystallographic c-axis. Overall, these findings establish various missing links defining the exciton size and dynamics in MOF-assembled linkers. Furthermore, the understandings will provide design principles, especially, positioning the catalysts or electrode relative to the linker orientation for low-density solar energy conversion systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Benchmark study of the DTU OWC chamber with both two-way and one-way absorption

This paper reports on a benchmark study based on small-scale (1:50) measurements of a single, oscillating water column chamber mounted sideways in a long flume. The geometry of the OWC chamber is extracted from a barge-like, attenuator-type floating concept “KNSwing” with 40 chambers targeted for deployment in the Danish part of the North Sea. In addition to traditional two-way energy extraction we also consider one-way energy extraction with passive venting and compare chamber response, pressures and total absorbed energy between the two methods. A blind study was established for the numerical modeling, with participants applying several implementations of weakly nonlinear potential flow theory and commercial Navier–Stokes solvers (CFD). Both compressible and incompressible models were used for the air phase. Potential flow calculations predict more energy absorption near the chamber resonance for one-way absorption than for two-way absorption, but the opposite is found from the experimental measurements. This outcome is mainly attributed to energy losses in the experimental passive valve system, but this conclusion must be confirmed by better experimental measurements. Modeling the one-way valve in CFD proved to be very challenging and only one team was able to provide results which were generally closer to the experiments. The study illustrates the challenges associated with both numerical and experimental analysis of OWC chambers. Air compressibility effects were not found to be important at this scale, even with the large volume of additional air used for the one-way case.

16 TIDAL AND WAVE POWER↗
NASA NTRS1994

A model of galactic cosmic rays for use in calculating linear energy transfer spectra

The Galactic Cosmic Rays (GCR) contain fully stripped nuclei, from Hydrogen to beyond the Iron group, accelerated to high energies and are a major component of the background radiation encountered by satellites and interplanetary spacecraft. This paper presents a GCR model which is based upon our current understanding of the astrophysics of GCR transport through interstellar and interplanetary space. The model can be used to predict the energy spectra for all stable and long-lived radioactive species from H to Ni over an energy range from 50 to 50,000 MeV/nucleon as a function of a single parameter, the solar modulation level phi. The details of this model are summarized, phi is derived for the period 1974 to present, and results from this model during the 1990/1991 Combined Release and Radiation Effects Satellite (CRRES) mission are presented.

Chen, J.↗
DOE OSTI2021

Statistical description of coalescing magnetic islands via magnetic reconnection

The physical picture of interacting magnetic islands provides a useful paradigm for certain plasma dynamics in a variety of physical environments, such as the solar corona, the heliosheath and the Earth's magnetosphere. In this work, we derive an island kinetic equation to describe the evolution of the island distribution function (in area and in flux of islands) subject to a collisional integral designed to account for the role of magnetic reconnection during island mergers. This equation is used to study the inverse transfer of magnetic energy through the coalescence of magnetic islands in two dimensions. We solve our island kinetic equation numerically for three different types of initial distribution: Dirac delta, Gaussian and power-law distributions. The time evolution of several key quantities is found to agree well with our analytical predictions: magnetic energy decays as $\tilde {t}^{-1}$ , the number of islands decreases as $\tilde {t}^{-1}$ and the averaged area of islands grows as $\tilde {t}$ , where $\tilde {t}$ is the time normalised to the characteristic reconnection time scale of islands. General properties of the distribution function and the magnetic energy spectrum are also studied. Finally, we discuss the underlying connection of our island-merger models to the (self-similar) decay of magnetohydrodynamic turbulence.

Physics↗
NASA NTRS2009

Multi-Scale Hydrometeorological Modeling, Land Data Assimilation and Parameter Estimation with the Land Information System

The Land Information System (LIS; http://lis.gsfc.nasa.gov; Kumar et al., 2006; Peters- Lidard et al.,2007) is a flexible land surface modeling framework that has been developed with the goal of integrating satellite- and ground-based observational data products and advanced land surface modeling techniques to produce optimal fields of land surface states and fluxes. As such, LIS represents a step towards the next generation land component of an integrated Earth system model. In recognition of LIS object-oriented software design, use and impact in the land surface and hydrometeorological modeling community, the LIS software was selected ase co-winner of NASA's 2005 Software of the Year award. LIS facilitates the integration of observations from Earth-observing systems and predictions and forecasts from Earth System and Earth science models into the decision-making processes of partnering agency and national organizations. Due to its flexible software design, LIS can serve both as a Problem Solving Environment (PSE) for hydrologic research to enable accurate global water and energy cycle predictions, and as a Decision Support System (DSS) to generate useful information for application areas including disaster management, water resources management, agricultural management, numerical weather prediction, air quality and military mobility assessment. LIS has evolved from two earlier efforts North American Land Data Assimilation System (NLDAS; Mitchell et al. 2004) and Global Land Data Assimilation System (GLDAS; Rodell al. 2004) that focused primarily on improving numerical weather prediction skills by improving the characterization of the land surface conditions. Both of GLDAS and NLDAS now use specific configurations of the LIS software in their current implementations. In addition, LIS was recently transitioned into operations at the US Air Force Weather Agency (AFWA) to ultimately replace their Agricultural Meteorology (AGRMET) system, and is also used routinely by NOAA's National Centers for Environmental Prediction (NCEP)/Environmental Modeling Center (EMC) for their land data assimilation systems to support weather and climate modeling. LIS not only consolidates the capabilities of these two systems, but also enables a much larger variety of configurations with respect to horizontal spatial resolution, input datasets and choice of land surface model through "plugins,". As described in Kumar et al., 2007, and demonstrated in Case et al., 2008, and Santanello et al., 2009, LIS has been coupled to the Weather Research and Forecasting (WRF) model to support studies of land-atmosphere coupling the enabling ensembles of land surface states to be tested against multiple representations of the atmospheric boundary layer. LIS has also been demonstrated for parameter estimation as described in Peters-Lidard et al. (2008) and Santanello et al. (2007), who showed that the use of sequential remotely sensed soil moisture products can be used to derive soil hydraulic and texture properties given a sufficient dynamic range in the soil moisture retrievals and accurate precipitation inputs. LIS has also recently been demonstrated for multi-model data assimilation (Kumar et al., 2008) using an Ensemble Kalman Filter for sequential assimilation of soil moisture, snow, and temperature. Ongoing work has demonstrated the value of bias correction as part of the filter, and also that of joint calibration and assimilation. Examples and case studies demonstrating the capabilities and impacts of LIS for hydrometeoroogical modeling, assimilation and parameter estimation will be presented as advancements towards the next generation of integrated observation and modeling systems.

Peters-Lidard, Christa D.↗
NASA NTRS2011

Multi-Scale Hydrometeorological Modeling, Land Data Assimilation and Parameter Estimation with the Land Information System

The Land Information System (LIS; http://lis.gsfc.nasa.gov) is a flexible land surface modeling framework that has been developed with the goal of integrating satellite-and ground-based observational data products and advanced land surface modeling techniques to produce optimal fields of land surface states and fluxes. As such, LIS represents a step towards the next generation land component of an integrated Earth system model. In recognition of LIS object-oriented software design, use and impact in the land surface and hydrometeorological modeling community, the LIS software was selected as a co-winner of NASA?s 2005 Software of the Year award.LIS facilitates the integration of observations from Earth-observing systems and predictions and forecasts from Earth System and Earth science models into the decision-making processes of partnering agency and national organizations. Due to its flexible software design, LIS can serve both as a Problem Solving Environment (PSE) for hydrologic research to enable accurate global water and energy cycle predictions, and as a Decision Support System (DSS) to generate useful information for application areas including disaster management, water resources management, agricultural management, numerical weather prediction, air quality and military mobility assessment. LIS has e volved from two earlier efforts -- North American Land Data Assimilation System (NLDAS) and Global Land Data Assimilation System (GLDAS) that focused primarily on improving numerical weather prediction skills by improving the characterization of the land surface conditions. Both of GLDAS and NLDAS now use specific configurations of the LIS software in their current implementations.In addition, LIS was recently transitioned into operations at the US Air Force Weather Agency (AFWA) to ultimately replace their Agricultural Meteorology (AGRMET) system, and is also used routinely by NOAA's National Centers for Environmental Prediction (NCEP)/Environmental Modeling Center (EMC) for their land data assimilation systems to support weather and climate modeling. LIS not only consolidates the capabilities of these two systems, but also enables a much larger variety of configurations with respect to horizontal spatial resolution, input datasets and choice of land surface model through "plugins". LIS has been coupled to the Weather Research and Forecasting (WRF) model to support studies of land-atmosphere coupling be enabling ensembles of land surface states to be tested against multiple representations of the atmospheric boundary layer. LIS has also been demonstrated for parameter estimation, who showed that the use of sequential remotely sensed soil moisture products can be used to derive soil hydraulic and texture properties given a sufficient dynamic range in the soil moisture retrievals and accurate precipitation inputs.LIS has also recently been demonstrated for multi-model data assimilation using an Ensemble Kalman Filter for sequential assimilation of soil moisture, snow, and temperature.Ongoing work has demonstrated the value of bias correction as part of the filter, and also that of joint calibration and assimilation.Examples and case studies demonstrating the capabilities and impacts of LIS for hydrometeorological modeling, assimilation and parameter estimation will be presented as advancements towards the next generation of integrated observation and modeling systems

Peters-Lidard, Christa D.↗
NASA NTRS2014

The Radiation, Interplanetary Shocks, and Coronal Sources (RISCS) Toolset

We outline a plan to develop a physics based predictive toolset RISCS to describe the interplanetary energetic particle and radiation environment throughout the inner heliosphere, including at the Earth. To forecast and "nowcast" the radiation environment requires the fusing of three components: 1) the ability to provide probabilities for incipient solar activity; 2) the use of these probabilities and daily coronal and solar wind observations to model the 3D spatial and temporal heliosphere, including magnetic field structure and transients, within 10 AU; and 3) the ability to model the acceleration and transport of energetic particles based on current and anticipated coronal and heliospheric conditions. We describe how to address 1) - 3) based on our existing, well developed, and validated codes and models. The goal of RISCS toolset is to provide an operational forecast and "nowcast" capability that will a) predict solar energetic particle (SEP) intensities; b) spectra for protons and heavy ions; c) predict maximum energies and their duration; d) SEP composition; e) cosmic ray intensities, and f) plasma parameters, including shock arrival times, strength and obliquity at any given heliospheric location and time. The toolset would have a 72 hour predicative capability, with associated probabilistic bounds, that would be updated hourly thereafter to improve the predicted event(s) and reduce the associated probability bounds. The RISCS toolset would be highly adaptable and portable, capable of running on a variety of platforms to accommodate various operational needs and requirements.

Zank, G. P.↗
NASA NTRS2014

Development and Transition of the Radiation, Interplanetary Shocks, and Coronal Sources (RISCS) Toolset

We outline a plan to develop and transition a physics based predictive toolset called The Radiation, Interplanetary Shocks, and Coronal Sources (RISCS) to describe the interplanetary energetic particle and radiation environment throughout the inner heliosphere, including at the Earth. To forecast and "nowcast" the radiation environment requires the fusing of three components: 1) the ability to provide probabilities for incipient solar activity; 2) the use of these probabilities and daily coronal and solar wind observations to model the 3D spatial and temporal heliosphere, including magnetic field structure and transients, within 10 Astronomical Units; and 3) the ability to model the acceleration and transport of energetic particles based on current and anticipated coronal and heliospheric conditions. We describe how to address 1) - 3) based on our existing, well developed, and validated codes and models. The goal of RISCS toolset is to provide an operational forecast and "nowcast" capability that will a) predict solar energetic particle (SEP) intensities; b) spectra for protons and heavy ions; c) predict maximum energies and their duration; d) SEP composition; e) cosmic ray intensities, and f) plasma parameters, including shock arrival times, strength and obliquity at any given heliospheric location and time. The toolset would have a 72 hour predicative capability, with associated probabilistic bounds, that would be updated hourly thereafter to improve the predicted event(s) and reduce the associated probability bounds. The RISCS toolset would be highly adaptable and portable, capable of running on a variety of platforms to accommodate various operational needs and requirements. The described transition plan is based on a well established approach developed in the Earth Science discipline that ensures that the customer has a tool that meets their needs

Spann, James F.↗
DOE OSTI2024

Corrosion and Enhanced Hydrogen Evolution in Electrochemical Reduction of Ammonium Carbamate on Transition Metal Surfaces

Experiments and theory are combined to search for catalyst activity and stability descriptors for the direct reactive capture and conversion (RCC) of CO 2 in ammonia capture solutions using Cu, Ag, Au, Sn, and Ti electrodes. Two major phenomena emerge in RCC that are not predominant in the electrochemical CO 2 reduction (CO 2 R) reaction, namely, the rapid corrosion and restructuring of the catalyst in the presence of the CO 2 -ammonia adducts and the promotion of the competing hydrogen evolution reaction (HER). The prevalence of HER in RCC is correlated to the electrostatic attraction of the protonated amine to the electrode and the repulsion of the captured CO 2 , using the potential of zero charge (PZC). The stability of catalysts under RCC conditions is a function of the applied potential and cannot be readily predicted using binding energy descriptors commonly used in the prediction of CO 2 R activity. Finally, a direct correlation between calculated binding energies of CO 2 R intermediates, atomic oxygen, hydrogen, and ammonia and the activity and stability of transition metals for RCC cannot be found, highlighting the need for descriptors beyond those known for CO 2 R.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗