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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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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Polyethylene Upcycling to Liquid Alkanes in Molten Salts under Neat and External Hydrogen Source-Free Conditions

Development of facile approaches to convert plastic waste into liquid fuels under neat conditions is highly desired but challenging, particularly without noble metal catalysts and an external hydrogen source. Herein, highly efficient and selective polyethylene-to-gasoline oil (branched C 6 –C 12 alkanes) conversion was achieved under mild conditions (<170 °C) using commercially available AlCl 3 -containing molten salts as reaction media and to provide catalytic sites (no extra solvents, additives, or hydrogen feeding). The high catalytic efficiency and selectivity was ensured by the abundant active Al sites with strong Lewis acidity (comparable to the Al type in acidic zeolite) and highly ionic nature of the molten salts to stabilize the carbenium intermediates. Dynamic genesis of the Al sites was elucidated via time-resolved Al K-edge soft X-ray and 27 Al NMR, confirming the tricoordinated Al 3+ as active sites and its coordination with the as-generated alkene/aromatic intermediates. Further, the carbenium formation and polyethylene chain variation was illustrated by inelastic neutron scattering (INS) and an isotope-labeling experiment. Theoretical simulations further demonstrated the successive hydride abstraction, β-scission, isomerization, and internal hydrogen transfer reaction pathway with AlCl 3 as active sites. This facile catalytic system can further achieve the conversion of robust, densely assembled, and high molecular weight plastic model compounds to liquid alkane products in the diesel range.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

An Improved Representation of Aerosol Wet Removal by Deep Convection and Impacts on Simulated Aerosol Vertical Profiles

Here, we introduce a physics-based aerosol wet removal scheme with unified treatments of aerosol transport and removal by convective clouds into the Community Atmosphere Model version 6. Since several important physical processes are still neglected or poorly represented in this new physics-based scheme, we develop secondary improvements to the parameterizations of aerosol activation, resuspension, and cloud-borne aerosol detrainment in this new scheme. Changes in the aerosol wet removal scheme cause tropospheric aerosol concentrations to decrease to different extents: compared to the control run, the physics-based scheme significantly decreases aerosol burdens by up to 60% over the southern Pacific Ocean, whereas the secondary improvements mitigate the decreasing tendency. The burden changes also depend on aerosol chemical components: the sulfate mass decrease is compensated by secondary production, black carbon (BC) is effectively removed via increasing the hygroscopicity of particulate organic matter from 0 to 0.2, and dust shows the most spatially heterogeneous changes. Simulated aerosol profiles are evaluated against aircraft-based observations over the Pacific and Atlantic Oceans. The secondary-improved scheme reduces the overestimations of upper tropospheric BC and sea salt concentrations by a factor of 10 and 1,000, respectively, and reproduces the dependence of BC mass decrease rates on cloud types. Consideration of convective cloud-borne aerosol detrainment plays the most important role in enhancing the aerosol wet removal and decreasing the positive biases of tropospheric BC and sea salt concentrations. We also summarize unresolved issues related to convective cloud genesis and microphysics, cloud-borne aerosol evolution, and BC and dust emissions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

A Binomial Stochastic Framework for Efficiently Modeling Discrete Statistics of Convective Populations

Abstract Understanding the coupling between convective clouds and the general circulation, as well as addressing the gray zone problem in convective parameterization, requires insight into the genesis and maintenance of spatial patterns in cumulus cloud populations. In this study, a simple toy model for recreating populations of interacting convective objects as distributed over a two‐dimensional Eulerian grid is formulated to this purpose. Key elements at the foundation of the model include i) a fully discrete formulation for capturing discrete behavior in convective properties at small population sample sizes, ii) object age‐dependence for representing life‐cycle effects, and iii) a prognostic number budget allowing for object interactions and co‐existence of multiple species. A primary goal is to optimize the computational efficiency of this system. To this purpose the object birth rate is represented stochastically through a spatially aware Bernoulli process. The same binomial stochastic operator is applied to horizontal advection of objects, conserving discreteness in object number. The applicability to atmospheric convection as well as behavior implied by the formulation is assessed. Various simple applications of the BiOMi model (Binomial Objects on Microgrids) are explored, suggesting that important convective behavior can be captured at low computational cost. This includes i) subsampling effects and associated powerlaw scaling in the convective gray zone, ii) stochastic predator‐prey behavior, iii) the downscale turbulent energy cascade, and iv) simple forms of spatial organization and convective memory. Consequences and opportunities for convective parameterization in next‐generation weather and climate models are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Tropical Cyclone Precipitation Response to Surface Warming in Aquaplanet Simulations With Uniform Thermal Forcing

While many modeling studies have attempted to estimate how tropical cyclone (TC) precipitation is impacted by climate change, the multitude of analysis techniques and methodologies have resulted in varying conclusions. Simplified models may be able to help overcome this problem. Radiative-convective equilibrium (RCE) model simulations have been used in various configurations to study fundamental aspects of Earth's climate. While many RCE modeling studies have focused on TC genesis, intensification, and size, limited work has been done using RCE to study TC precipitation. Here, in this study, the response of TC precipitation to sea surface temperature (SST) change is analyzed in global Community Atmosphere Model (CAM) aquaplanet simulations run with Radiative-Convective Equilibrium Model Intercomparison Project protocols, with the addition of planetary rotation. We expect that the insight gained about how TC precipitation responds to SST warming will help predict how TCs in the real world respond to climate change. In the CAM RCE simulations, the warmer SST simulations have less TCs on average, but the TCs tend to be larger in outer size and more intense. As simulation SST increases, more extreme precipitation rates occur within TCs, and more of the TC precipitation comes from these extreme rates. For extreme (99th percentile) TC precipitation, SST, and TC intensity increases dominate the 8.6% per K increase, while TC outer size changes have little impact. For accumulated TC precipitation, SST, and TC intensity contributions are still the majority, but TC outer size changes also contribute to the 6.6% per K increase.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Characteristics and Variability of Winter Northern Pacific Atmospheric River Flavors

Abstract Atmospheric rivers (ARs) are intensive poleward moisture transport events that are essential to the global hydrological cycle and are often linked to extreme weather events. We categorize the winter North Pacific ARs into two “flavors”: wind‐dominated (windy ARs) and moisture‐dominated (wet ARs) using 40 years of hourly data from fifth generation of the European Centre for Medium‐Range Weather Forecasts Interim Reanalysis. We compare the differences between windy ARs and wet ARs including the lifecycle characteristics (such as genesis locations and changes of meteorological elements through the lifecycle), overall AR frequency, landfall impacts, and variability. The windy ARs are more likely to occur in the midlatitudes, while wet ARs are more active in the subtropics. Windy ARs are associated with intensive surface pressure lows, where the strong pressure gradient can support the strong wind within ARs. Due to larger size and longer lifetime, wet ARs are more likely to produce more precipitation over a lifecycle. By scaling the landfalling ARs, we show that wet ARs dominate the high‐category ARs (Category 4 and 5) with higher spatial frequency and more precipitation, and windy ARs have higher contributions in the lower AR categories especially over British Columbia. Windy ARs are modulated by El Niño Southern Oscillation (ENSO) teleconnections via the anomalous geopotential height and extended subtropical jet. Wet ARs are affected by the anomalous sea surface temperature over the midlatitudes related to ENSO. Sensitivity analysis with an alternate AR detection algorithm shows consistent results on AR flavors but with disagreement on the amplitude.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

The Relationship Between African Easterly Waves and Tropical Cyclones in Historical and Future Climates in the HighResMIP‐PRIMAVERA Simulations

Abstract The deadly and destructive nature of tropical cyclones (TCs) makes understanding their response to future climate change of the utmost importance. TC genesis hinges on multiple factors, including an initial disturbance. African easterly waves (AEWs) have been shown to serve as such disturbances for TCs developing in the North Atlantic. It is therefore crucial to understand the relationship between AEWs and TCs and how this relationship may be affected by climate change. In this study, we examine the AEW‐TC relationship in historical and future climates using three models from the HighResMIP PRIMAVERA simulations. The AEWs and TCs were tracked in the model data using objective tracking algorithms, and AEW and TC tracks were then matched together if they were close to each other in space and time. The strength of the AEWs was measured using the eddy kinetic energy and the curvature vorticity of the waves. TC strength and intensity were measured using potential intensity and lifetime maximum 10 m windspeed. We found that future changes in the frequency of AEWs are not a good indicator of future TC activity. However, AEW strength, as well as environmental conditions conducive to strong TCs, are good indicators of AEWs that develop into TCs in both historical and future climates.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

The Effects of African Easterly Wave Suppression by Wave Track on Atlantic Tropical Cyclones

Abstract It is well established that African easterly waves (AEWs) can serve as seedling disturbances for Atlantic tropical cyclones (TCs). However, research has shown that AEWs are not necessary to maintain specifically basin‐wide TC frequency. Here, we for the first time investigate the effects of AEW suppression by wave track on Atlantic TC activity. Regional model simulations were performed, where AEWs were either prescribed or suppressed from the eastern lateral boundary condition. We found that without AEWs, there was an increase in TC frequency and strength, with the most pronounced increases occurring when the waves were suppressed in the south track. These changes coincided with more favorable environmental conditions and disturbances associated with increased convective activity over the Atlantic. Our results indicate that AEWs are not a limiting factor for TCs, and that AEW suppression, specifically in the south track, can affect the large‐scale environment to enhance favorability for TC genesis.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Characteristics of Precipitation and Mesoscale Convective Systems Over the Peruvian Central Andes in Multi 5‐Year Convection‐Permitting Simulations

Abstract Using the Weather Research and Forecasting model with two planetary boundary layer schemes, ACM2 and MYNN, convection‐permitting model (CPM) regional climate simulations were conducted for a 6‐year period, including a one‐year spin‐up period, at a 15‐km grid spacing covering entire South America and a nested convection‐permitting 3‐km grid spacing covering the Peruvian central Andes region. These two CPM simulations along with a 4‐km simulation covering South America produced by National Center for Atmospheric Research (NCAR), three gridded precipitation products, and rain gauge data in Peru and Brazil, are used to document the characteristics of precipitation and mesoscale convective systems (MCSs) in the Peruvian central Andes region. Results show that all km‐scale simulations generally capture the spatiotemporal patterns of precipitation and MCSs at both seasonal and diurnal scales, although biases exist in aspects such as precipitation intensity and MCS frequency, size, propagation speed, and associated precipitation intensity. The 3‐km simulation using MYNN scheme generally outperforms the other simulations in capturing seasonal and diurnal precipitation over the mountain, while both it and the 4‐km simulation demonstrate superior performance in the western Amazon Basin, based on the comparison to the gridded precipitation products and gauge data. Dynamic factors, primarily low‐level jet and terrain‐induced uplift, are the key drivers for precipitation and MCS genesis along the east slope of the Andes, while thermodynamic factors control the precipitation and MCS activity in the western Amazon Basin and over elevated mountainous regions. The study suggests model improvements and better model configurations for future regional climate projections.

Meteorology & Atmospheric Sciences↗
DOE OSTI2024

Why Do Oceanic Nonlinearities Contribute Only Weakly to Extreme El Niño Events?

Abstract Extreme El Niño events have outsized global impacts and control the El Niño Southern Oscillation (ENSO) warm/cold phases asymmetries. Yet, a consensus regarding the relative contributions of atmospheric and oceanic nonlinearities to their genesis remains elusive. Here, we isolate the contribution of oceanic nonlinearities by conducting paired experiments forced with opposite wind stress anomalies in an oceanic general circulation model, which realistically simulates extreme El Niño events and oceanic nonlinearities thought to contribute to ENSO skewness (Tropical Instability Waves (TIWs), Nonlinear Dynamical Heating (NDH)). Our findings indicate a weak contribution of oceanic nonlinearities to extreme El Niño events in the eastern Pacific, owing to compensatory effects between lateral (NDH and TIWs) and vertical processes. These results hold across different vertical mixing schemes and modifications of the upper‐ocean heat budget mixed layer criterion. Our study reinforces previous research underscoring the pivotal role of atmospheric nonlinearities in shaping extreme El Niño events.

Geology↗
DOE OSTI2024

Mesoscale Convective Systems Represented in High Resolution E3SMv2 and Impact of New Cloud and Convection Parameterizations

Mesoscale convective systems (MCSs) play an important role in modulating the global hydrological cycle, general circulation, and radiative energy budget. In this study, we evaluate MCS simulations in the second version of U.S. Department of Energy (DOE) Energy Exascale Earth System Model (E3SMv2). E3SMv2 atmosphere model (EAMv2) is run at the uniform 0.25? horizontal resolution. We track MCSs consistently in the model and observations using the PyFLEXTRKR algorithm, which defines MCS based on both cloud-top brightness temperature (Tb) and surface precipitation. Results from using Tb only to define MCS, commonly used in previous studies, are also discussed. Furthermore, sensitivity experiments are performed to examine the impact of new cloud and convection parameterizations developed for EAMv3 on simulated MCSs. Our results show that EAMv2 simulated MCS precipitation is largely underestimated in the tropics and contiguous United States. This is mainly attributed to the underestimated precipitation intensity in EAMv2. In contrast, the simulated MCS frequency becomes more comparable to observations if MCSs are defined only based on cloud-top Tb. The Tb-based MCS tracking method, however, includes many cloud systems with very weak precipitation which conflicts with the MCS definition. This result illustrates the importance of accounting for precipitation in evaluating simulated MCSs. We also find that the new physics parameterizations help increase the relative contribution of convective precipitation to total precipitation in the tropics, but the simulated MCS properties are generally not improved. This suggests that simulating MCSs will remain a challenge for the next version of E3SM.

Zhang, Meng↗
DOE OSTI2025

Quantifying Moisture Sources of Arctic Atmospheric Rivers During the Recent Historical Period

Atmospheric rivers (ARs), filaments of intense atmospheric moisture transport, play a significant role in delivering moisture poleward into the Arctic and triggering weather extremes. Although previous studies have focused on large‐scale circulations driving these events, this study investigates ARs through attributing their moisture sources using the Community Atmosphere Model version 5 (CAM5) with moisture‐tagging capability. Examining ARs in the Atlantic and Pacific sectors of the Arctic separately revealed distinct contributions from remote versus local, and ocean versus land, moisture sources. Unlike non‐AR events, Arctic ARs primarily draw moisture from their respective ocean basins in lower‐latitude regions during the cold season, and shift to land sources in the warm season. Cold‐season ARs in the Atlantic and Pacific sectors source 73.2% and 85.3% of their moisture from their respective ocean basins at lower latitudes, however warm‐season contributions decrease to 41.3% and 29.4%. In contrast, mid‐ and high‐latitude continents combined contribute 40.1% and 51.3% in the warm season. Trajectory clustering analysis shows that AR moisture sources depend on both their genesis regions and transport pathways. In recent decades, the Arctic has experienced a moistening trend in both the cold and warm seasons. Our results suggest that local and remote sources equally drive the observed cold‐season moistening, whereas remote sources predominantly drive the warm‐season moistening. A better understanding of Arctic AR moisture sources under current climate conditions provides valuable insights into their potential future changes amid the projected heterogeneous northern hemispheric warming.

Arctic↗
DOE OSTI2021

A new hypothesis for the origin of Amazonian Dark Earths

Amazonian Dark Earths (ADEs) are unusually fertile soils characterised by elevated concentrations of microscopic charcoal particles, which confer their distinctive colouration. Frequent occurrences of pre-Columbian artefacts at ADE sites led to their ubiquitous classification as Anthrosols (soils of anthropic origin). However, it remains unclear how indigenous peoples created areas of high fertility in one of the most nutrient-impoverished environments on Earth. Here, we report new data from a well-studied ADE site in the Brazilian Amazon, which compel us to reconsider its anthropic origin. The amounts of phosphorus and calcium—two of the least abundant macronutrients in the region—are orders of magnitude higher in ADE profiles than in the surrounding soil. The elevated levels of phosphorus and calcium, which are often interpreted as evidence of human activity at other sites, correlate spatially with trace elements that indicate exogenous mineral sources rather than in situ deposition. Stable isotope ratios of neodymium, strontium, and radiocarbon activity of microcharcoal particles also indicate exogenous inputs from alluvial deposition of carbon and mineral elements to ADE profiles, beginning several thousands of years before the earliest evidence of soil management for plant cultivation in the region. Our data suggest that indigenous peoples harnessed natural processes of landscape formation, which led to the unique properties of ADEs, but were not responsible for their genesis. If corroborated elsewhere, this hypothesis would transform our understanding of human influence in Amazonia, opening new frontiers for the sustainable use of tropical landscapes going forward.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Ocean fronts and eddies force atmospheric rivers and heavy precipitation in western North America

Atmospheric rivers (ARs) are responsible for over 90% of poleward water vapor transport in the mid-latitudes and can produce extreme precipitation when making landfall. However, weather and climate models still have difficulty simulating and predicting landfalling ARs and associated extreme precipitation, highlighting the need to better understand AR dynamics. Here, using high-resolution climate models and observations, we demonstrate that mesoscale sea-surface temperature (SST) anomalies along the Kuroshio Extension can exert a remote influence on landfalling ARs and related heavy precipitation along the west coast of North America. Inclusion of mesoscale SST forcing in the simulations results in approximately a 40% increase in landfalling ARs and up to a 30% increase in heavy precipitation in mountainous regions and this remote impact occurs on two-week time scales. The asymmetrical response of the atmosphere to warm vs. cold mesoscale SSTs over the eddy-rich Kuroshio Extension region is proposed as a forcing mechanism that results in a net increase of moisture flux above the planetary boundary layer, prompting AR genesis via enhancing moisture transport into extratropical cyclones in the presence of mesoscale SST forcing.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Central American mountains inhibit eastern North Pacific seasonal tropical cyclone activity

Abstract The eastern North Pacific (ENP) has the highest density of tropical cyclones (TCs) on earth, and yet the controls on TCs, from individual events to seasonal totals, remain poorly understood. One effect that has not been fully considered is the unique geography of the Central American mountains. Although observational studies suggest these mountains can readily fuel individual TCs through dynamical processes, here we show that these mountains indeed play the opposite role on the seasonal timescale, hindering seasonal ENP TC activity by up to 35%. We found that these mountains significantly interrupt the abundant moisture transport from the Caribbean Sea to the ENP, limiting deep convection over the open ocean area where TCs preferentially occur. This study advances our fundamental understanding of ENP TC genesis mechanisms across the weather-to-climate timescales, and also highlights the importance of topography representation in improving the ENP regional climate simulations, as well as TC seasonal predictions and future projections.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Broadband X-ray burst spectroscopy of the fast-radio-burst-emitting Galactic magnetar

Magnetars are young, magnetically powered neutron stars that possess the strongest magnetic fields in the Universe. Fast radio bursts (FRBs) are extremely intense millisecond-long radio pulses of primarily extragalactic origin, and a leading attribution for their genesis focuses on magnetars. A hallmark signature of magnetars is their emission of bright, hard X-ray bursts of sub-second duration. On 27 April 2020, the Galactic magnetar SGR J1935+2154 emitted hundreds of X-ray bursts within a few hours. One of these temporally coincided with an FRB, the first known detection of an FRB from the Milky Way. Here, we present spectral and temporal analyses of 24 X-ray bursts emitted 13 hours prior to the FRB and seen simultaneously with the Neutron Star Interior Composition Explorer (NICER) mission of the National Aeronautics and Space Administration and with the Fermi Gamma-ray Burst Monitor (GBM) mission in their combined energy range of 0.2 keV to 30 MeV. These broadband spectra permit direct comparison with the spectrum of the FRB-associated X-ray burst (FRB-X). We demonstrate that all 24 NICER and GBM bursts are very similar temporally to the FRB-X, but strikingly different spectrally. The singularity of the FRB-X burst is perhaps indicative of an uncommon locale for its origin. We suggest that this event originated in quasi-polar open or closed magnetic field lines that extend to high altitudes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Isolation and electronic structures of derivatized manganocene, ferrocene and cobaltocene anions

The discovery of ferrocene nearly 70 years ago marked the genesis of metallocene chemistry. Although the ferrocenium cation was discovered soon afterwards, a derivatized ferrocenium dication was only isolated in 2016 and the monoanion of ferrocene has only been observed in low-temperature electrochemical studies. Here we report the isolation of a derivatized ferrocene anion in the solid state as part of an isostructural family of 3d metallocenates, which consist of anionic complexes of a metal centre (manganese, iron or cobalt) sandwiched between two bulky Cp ttt ligands (where Cp ttt is {1,2,4-C 5 H 2 t Bu 3 }). These thermally and air-sensitive complexes decompose rapidly above –30 °C; however, we were able to characterize all metallocenates by a wide range of physical techniques and ab initio calculations. These data have allowed us to map the electronic structures of this metallocenate family, including an unexpected high-spin S = 3/2 ground state for the 19e– derivatized ferrocene anion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Historical and future trends in South Asian monsoon low pressure systems in a high-resolution model ensemble

Historical trends in monsoon low pressure systems (LPS), the dominant rain-bearing weather system of South Asia, have been difficult to assess due to changes in the observing network. Future projections have also remained uncertain because prior studies concluded that many coarse-resolution climate models do not accurately simulate LPS. Here, we examine changes in South Asian monsoon LPS simulated by an ensemble of global models, including some with high spatial resolution, that we show skillfully represent LPS. In the ensemble mean, the number of strong LPS (monsoon depressions) decreased over the last 65 years (1950–2014) by about 15% while no trend was detected for weaker LPS (monsoon lows). The reduction in depression counts then moderated, yielding no trend in the periods 1980–2050 or 2015–2050. The ensemble mean projects a shift in genesis from ocean to land and an increase in LPS precipitation of at least 7% K −1 , which together contribute to a projected increase in seasonal mean and extreme precipitation over central India.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Navigating the Path to Autonomy: Real-World Lessons from an Air-Free Self-Driving Laboratory

While autonomous experimentation has promise to accelerate discovery in physcial sciences, the real-world integration of predictive models and experimentation is non-trivial. Here we describe the genesis of a self-driving laboratory (SDL) for air-sensitive chemistry at Argonne National Laboratory and demonstrate the experimental design considerations needed for high-throughput experiments before predictive models can lead to scientific discovery. Our SDL was designed to explore battery electrolyte stability. Our final SDL utilized plate readers in a glovebox with a nitrogen atmosphere to perform kinetic assays and screen hundreds of battery-relevant solvents. However, the roadmap to autonomy and airfree-friendly experimentation required the complex evaluation of several spectroscopic and chromatographic methods. The greatest experimental challenges were (a) developing long-term sampling methods that remained air-free; (b) accelerating kinetics to advance reactivity projections; and (c) ensuring labware compatibility with nonaqueous solvents used in battery chemistry. Our experiences highlight the practical gap between closed-loop aspirations and the realities of chemical discovery, offering lessons on the challenges of transferring every day laboratory workflows to autonomy. These results suggest a more realistic blueprint for autonomy in chemistry—one that balances thoughtful and realistic experimental formulation.

Robertson, Lily A.↗