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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 451 records · Page 25

An Observation-Driven Framework for Modeling Post-Fire Hydrologic Response: Evaluation for Two Central California Case Studies

In a warming climate, wildfires are becoming increasingly common, especially in semi-arid environments. Wildfires can disrupt forest ecosystems and induce changes to the land surface. Collectively, these impacts can alter the hydrologic response of a catchment following a fire, resulting in increased potential for surface runoff, reduced evapotranspiration, and, ultimately, a higher risk for flash flooding and mass wasting. The timescale for post-fire recovery of hydrological processes to return to pre-fire conditions is not well established due to the lack of ground measurements. Accurate characterization of fire impacts on hydrologic response is also challenging to simulate, given the complex interplay of various processes. Here, we present a generalized framework to quantify wildfire impacts on runoff generation. We consider the vegetation and soil disturbances as the primary contributors to post-fire floods. Using an ensemble modeling structure to account for parameter uncertainty and consider model sensitivity, remotely sensed leaf area index (LAI) is assimilated into a land surface model (LSM) to simulate vegetation disturbance, and the maximum land surface saturation LSM parameter is decreased to parameterize the soil disturbance following observed fires. We evaluated the impacts of fire-induced changes to LAI and soil saturation on hydrologic states like runoff and evapotranspiration. Analysis of two events in central California shows that 1) the LAI assimilation has a greater impact on water balance; and 2) the soil scheme captures a range of outcomes, with substantial impacts on surface runoff for some ensemble members, which could affect flood potential.

Timothy M Lahmers↗

Non-Equilibrium in a Dust-Forming Low-Temperature Plasma: A CARS Study

Dust-forming low-temperature plasmas are versatile systems for the production of nanoparticles with tunable functionalities. While attractive from a materials processing point of view, these systems are inherently complex, with several plasma-induced phenomena determining the properties of the produced materials. Here, we characterize a carbon nanoparticle-forming plasma using coherent anti-Stokes Raman spectroscopy (CARS), with the primary goal of measuring gas temperature. While gas temperature is typically assumed to be at or slightly above room temperature in these reactors, we measure gas temperatures exceeding 1000 K under typical process conditions. We find a correlation between the gas temperature and the nanoparticle yield, suggesting that the particle nucleation and growth process releases energy within the reaction volume, leading to significant gas heating. In addition, we find that the relaxation of vibrationally excited species at the particle surfaces is a major contributor to their heating. In conclusion, these results underscore the complexity of these systems and the need for their more in-depth characterization using advanced techniques such as CARS.

Basic Plasma Phenomena and Gas Discharges↗

Toward the origins of binding energy shifts and “satellites” formation during plasma-XPS measurements

In-plasma x-ray photoelectron spectroscopy (plasma-XPS) emerges as a powerful platform for real-time, in situ chemical analysis under conditions relevant to semiconductor processing and other plasma-enabled technologies. This study investigates the origins of binding energy (BE) shifts and the formation of “satellite” peaks observed during plasma-XPS measurements across conductive, dielectric, and gas-phase systems. Using a standard laboratory-based ambient pressure XPS apparatus coupled with an alternating current (AC)-driven capacitively coupled plasma source, we demonstrate that metastable surface species, such as transient Au oxides, can be detected during plasma exposure, revealing chemical states that are hardly accessible using conventional ultrahigh vacuum (UHV) XPS. In dielectric samples (e.g., undoped diamond, sapphire), we observe pressure- and plasma-type-dependent BE shifts of more than 50 eV, attributed to x-ray-induced and plasma-mediated surface charging. These shifts are mitigated at higher pressures/plasmas or in electronegative plasmas (e.g., O 2 ), the latter due to enhanced charge compensation mechanisms involving slow negative ions. For gas-phase species, AC-plasma excitation leads to spectral broadening and the emergence of “satellite” peaks with energy separations of a few electron volts, linked to oscillating local plasma potentials in the probing volume. Furthermore, these findings highlight the complex and important interplay between plasma parameters, surface charging, and local electric fields in shaping XPS spectra. Overall, plasma-XPS emerges as a critical metrological tool for probing transient surface chemistry, with implications for semiconductor processing, material synthesis, and plasma diagnostics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Facet-Dependent Adsorption of Pb(II) on Hematite (001), (116), and (104) Surfaces

Hematite’s common (001) and (012) facets are frequently used in model studies of lead (Pb) adsorption behavior, but there is a lack of research on the high-energy facets, e.g. (104), present in nature. Also, few studies have attempted to connect the molecular details of facet-specific Pb adsorption to macroscopic uptake behavior. Here, to address these knowledge gaps, we investigated Pb(II) adsorption behaviors on facet-engineered hematite nanoparticles dominated by (001), (104), and (116). Adsorption experiments revealed significant variations in Pb(II) uptake among the three samples, with (001) demonstrating the highest capacity and (116) showing the best adsorption efficiency when normalized to specific surface area. Adsorption kinetics followed the pseudo-second-order model, indicating the adsorption process is governed mostly by chemisorption. Adsorption isotherms were well fitted by the Langmuir model, indicating uptake proceeds until roughly monolayer adsorption. Detailed characterization revealed Pb(II) was adsorbed as single atoms with complex inner-sphere binding modes that varied across different facets, indicating adsorption is both structurally and energetically facet-dependent. Co-adsorption experiments further demonstrated Cu 2+ , Zn 2+ , and humic acid significantly promoted Pb(II) adsorption. This study advances the understanding of hematite surface reactivity in controlling macroscopic wet adsorption behaviors, providing valuable insights into the environmental fate of Pb(II).

Contaminant removal↗

Modeling and Observational Framework for Diagnosing Local Land-Atmosphere Coupling on Diurnal Time Scales

Land-atmosphere interactions play a critical role in determining the diurnal evolution of both planetary boundary layer (PBL) and land surface temperature and moisture states. The degree of coupling between the land surface and PBL in numerical weather prediction and climate models remains largely unexplored and undiagnosed due to the complex interactions and feedbacks present across a range of scales. Further, uncoupled systems or experiments (e.g., the Project for Intercomparison of Land Parameterization Schemes, PILPS) may lead to inaccurate water and energy cycle process understanding by neglecting feedback processes such as PBL-top entrainment. In this study, a framework for diagnosing local land-atmosphere coupling is presented using a coupled mesoscale model with a suite of PBL and land surface model (LSM) options along with observations during field experiments in the U. S. Southern Great Plains. Specifically, the Weather Research and Forecasting (WRF) model has been coupled to the Land Information System (LIS), which provides a flexible and high-resolution representation and initialization of land surface physics and states. Within this framework, the coupling established by each pairing of the available PBL schemes in WRF with the LSMs in LIS is evaluated in terms of the diurnal temperature and humidity evolution in the mixed layer. The co-evolution of these variables and the convective PBL is sensitive to and, in fact, integrative of the dominant processes that govern the PBL budget, which are synthesized through the use of mixing diagrams. Results show how the sensitivity of land-atmosphere interactions to the specific choice of PBL scheme and LSM varies across surface moisture regimes and can be quantified and evaluated against observations. As such, this methodology provides a potential pathway to study factors controlling local land-atmosphere coupling (LoCo) using the LIS-WRF system, which will serve as a testbed for future experiments to evaluate coupling diagnostics within the community.

Santanello, Joseph A., Jr.↗

First Principles Nonadiabatic Excited-State Molecular Dynamics in NWChem

Computational simulation of non-adiabatic molecular dynamics is an indispensable tool for understanding complex photoinduced processes such as internal conversion, energy transfer, charge separation, and spatial localization of excitons, to name a few. Here, we report an implementation of the fewest-switches surface hopping algorithm in the NWChem computational chemistry program. Here the surface hopping method is combined with linear-response time-dependent density functional theory calculations of adiabatic excited state potential energy surfaces. To treat quantum transitions between arbitrary electronic Born{Oppenheimer states, we have implemented both numerical and analytical differentiation schemes for derivative non-adiabatic couplings. A numerical approach for the time-derivative non-adiabatic couplings together with an analytical method for calculating non-adiabatic coupling vectors is an efficient combination for surface hopping approaches. Additionally, electronic decoherence schemes and a state reassigned unavoided crossings algorithm are also implemented to improve the accuracy of the simulated dynamics and to handle trivial unavoided crossings. We apply our code to study the ultrafast decay of photoexcited benzene, including a detailed analysis of the potential energy surface, population decay time scales, and vibrational coordinates coupled to the excitation dynamics. The development presented in this work is a baseline for future implementations of more sophisticated frameworks for simulating of non-adiabatic molecular dynamics in NWChem.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Aliovalent Doping of CeO 2 Improves the Stability of Atomically Dispersed Pt

Atomically dispersed supported catalysts hold considerable promise as catalytic materials. The ability to employ and stabilize them against aggregation in complex process environments remains a key challenge to the elusive goal of 100% atom utilization in catalysis. In this work, using a Gd-doped ceria support for atomically dispersed surface Pt atoms, we establish how the combined effects of aliovalent doping and oxygen vacancy generation provide dynamic mechanisms that serve to enhance the stability of supported single atom configurations. Using correlated, in situ X-ray absorption, photoelectron and vibrational spectroscopies for analysis of the samples on the two types of support (with and without Gd doping), we establish that the Pt atoms locate proximal to Gd dopants, forming a speciation that serves to enhance the thermal stability of Pt atoms against aggregation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Convection-Permitting Ensembles of an Isolated Mountain Thunderstorm during RELAMPAGO/CACTI

Abstract The north–south-oriented Sierras de Córdoba (SDC) ridge in central Argentina is noted for initiating thunderstorms that may grow into intense mesoscale convective systems (MCSs). It also initiates more isolated, shorter-lived cells under weaker synoptic forcing. These cells are less impactful than MCSs but may be difficult to predict in convective-scale numerical weather prediction (NWP) due to their strong sensitivities to subgrid and partially resolved processes. To study the mechanisms and predictability of such cells, convection-permitting ensemble simulations were conducted of an isolated, diurnally forced SDC thunderstorm during Cloud, Aerosol, and Complex Terrain Interactions (CACTI)/Remote Sensing of Electrification, Lightning, and Mesoscale/Microscale Processes with Adaptive Ground Observations (RELAMPAGO). The rich observational data facilitated detailed ensemble verification, where dry biases in the surface energy balance and soil moisture were identified. These biases promoted rapid removal of convective inhibition and an early onset of precipitating cells over the SDC that were shallower and weaker than the observed cell. Correction, and then overcorrection, of the soil moisture bias in two successive ensembles was required to rectify the surface energy balance and improve the representation of the SDC cell. Nevertheless, substantial ensemble variability in convective precipitation was found, with some members producing more widespread convection than observed and others producing no deep convection at all. This variability was largely explained by a combination of thermodynamic and dynamic mechanisms, dominated by a positive sensitivity of convective precipitation to preconvective moist instability over the ridge. Secondary sensitivities were found to low-level upward mass flux and midlevel cross-barrier winds, the latter of which caused gravity waves with elevated downdrafts that tended to suppress incipient clouds.

Lopez, Andres [Department of Atmospheric and Ocean↗

Molding cork sheets to complex shapes

Partially cured cork sheet is easily formed to complex shapes and then final-cured. Temperature and pressure levels required for process depend upon resin system used and final density and strength desired. Sheet can be bonded to surface during final cure, or can be first-formed in mold and bonded to surface in separate step.

Sharpe, M. H.↗

Drainage Evolution in the Debris Avalanche Deposits Near Mount Saint Helens, Washington

The 18 May 1980 eruption of Mount St. Helens was initiated by a massive rockslide-debris avalanche which completely transformed the upper 25 km of the North Fork Toutle River valley. The debris was generated by one of the largest gravitational mass movements ever recorded on Earth. Moving at an average velocity of 35 m/s, the debris avalanche buried approximately 60 sq km of terrain to an average depth of 45 m with unconsolidated, poorly sorted volcaniclastic material, all within a period of 10 minutes. Where exposed and unaltered by subsequent lahars and pyroclastic flows, the new terrain surface was characterized predominantly by hummocks, closed depressions, and the absence of an identifiable channel network. Following emplacement of the debris avalanche, a complex interrelationship of fluvial and mass wasting processes immediately began operating to return the impacted area to an equilibrium status through the removal of material (potential energy) and re-establishment of graded conditions. In an attempt to chronicle the morphologic evolution of this unique environmental setting, a systematic series of interpretative maps of several selected areas was produced. These maps, which document the rate and character of active geomorphic processes, are discussed.

Gary L Beach↗

Turbine airfoil film cooling

The experimental data obtained in this program gives insight into the physical phenomena that occur on a film cooled airfoil, and should provide a relevant data base for verification of new design tools. Results indicate that the downstream film cooling process is a complex function of the thermal dilution and turbulence augmentation parameters with trends actually reversing as blowing strength and coolant-to-gas temperature ratio varied. The pressure surface of the airfoil is shown to exhibit a considerably higher degree of sensitivity to changes in the film cooling parameters and, consequently, should prove to be more of a challenge than the suction surface in accurately predicting heat transfer levels with downsteam film cooling.

Hylton, L. D.↗

Observations and Modeling of the Transient General Circulation of the North Pacific Basin

Because of recent progress in satellite altimetry and numerical modeling and the accumulation and archiving of long records of hydrographic and meteorological variables, it is becoming feasible to describe and understand the transient general circulation of the ocean (i.e., variations with spatial scales larger than a few hundred kilometers and time scales of seasonal and longer-beyond the mesoscale). We have carried out various studies in investigation of the transient general circulation of the Pacific Ocean from a coordinated analysis of satellite altimeter data, historical hydrographic gauge data, scatterometer wind observations, reanalyzed operational wind fields, and a variety of ocean circulation models. Broadly stated, our goal was to achieve a phenomenological catalogue of different possible types of large-scale, low-frequency variability, as a context for understanding the observational record. The approach is to identify the simplest possible model from which particular observed phenomena can be isolated and understood dynamically and then to determine how well these dynamical processes are represented in more complex Oceanic General Circulation Models (OGCMs). Research results have been obtained on Rossby wave propagation and transformation, oceanic intrinsic low-frequency variability, effects of surface gravity waves, pacific data analyses, OGCM formulation and developments, and OGCM simulations of forced variability.

McWilliams, James C.↗

Aerosol-Water Cycle Interaction: A New Challenge in Monsoon Climate Research

Long recognized as a major environmental hazard, aerosol is now known to have strong impacts on both regional and global climate. It has been estimated that aerosol may reduce by up to 10% of the seasonal mean solar radiation reaching the earth surface, producing a global cooling effect that opposes global warming (Climate Change 2001). This means that the potential perils that humans have committed to global warming may be far greater than what we can detect at the present. As a key component of the Earth climate system, the water cycle is profoundly affected by the presence of aerosols in the atmosphere. Through the so-called direct effect , aerosol scatters and/or absorbs solar radiation, thus cooling the earth surface and changing the horizontal and vertical radiational heating contrast in the atmosphere. The heating contrast drives anomalous atmospheric circulation, resulting in changes in convection, clouds, and rainfall. Another way aerosol can affect the water cycle is through the so-called indirect effects, whereby aerosol increases the number of cloud condensation nuclei, prolongs life time of clouds, and inhibits the growth of cloud drops to raindrops. This leads to more clouds, and increased reflection of solar radiation, and further cooling at the earth surface. In monsoon regions, the response of the water cycle to aerosol forcing is especially complex, not only because of presence of diverse mix of aerosol species with vastly different radiative properties, but also because the monsoon is strongly influenced by ocean and land surface processes, land use, land change, as well as regional and global greenhouse warming effects. Thus, sorting out the impacts of aerosol forcing, and interaction with the monsoon water cycle is a very challenging problem. In this talk, I will offer some insights into how aerosols may impact the Asian monsoon based on preliminary results from satellite observations and climate model experiments. Specifically, I will discuss the elevated heat pump hypothesis, involving atmospheric heating by absorbing aerosols (dust and black carbon) over the southern slopes of the Himalayas, and feedback with the deep convection, in modifying monsoon water cycle over South .and East Asia. The role of aerosol forcing relative to those due to sea surface temperature and land surface processes, as well as observation requirements to verify such a hypothesis will also be discussed.

Lau, William K. M.↗

Influence of Aerosols on Monsoon Circulation and Hydroclimate

Long recognized as a major environmental hazard, aerosol is now known to have strong impacts on both regional and global water cycles and climate change. In the Asian monsoon regions, the response of the regional water cycle and climate to aerosol forcing is very complex, not only because of presence of diverse mix of aerosol species with vastly different radiative properties, but also because the monsoon is strongly influenced by ocean and land surface processes, land use, land change, as well as regional and global greenhouse warming effects. Thus, sorting out the impacts of aerosol forcing, and interaction with the monsoon water cycle is a very challenging problem. Up to now, besides the general notion that aerosols may significantly impact monsoon through altering large scale radiative heating gradients, there has been very little information regarding the specific signatures, and mechanisms of aerosol-monsoon water cycle interaction. In this talk, based on preliminary results from observations and climate model experiments, I will offer some insights into how aerosols may impact the Asian monsoon water cycle, in particular the effects of absorbing aerosols (dust and black carbon), and the role of the Tibetan Plateau. The influence of aerosol forcing relative to those due to sea surface temperature and land surface processes, and impact on potential predictability of the monsoon climate system will also be discussed.

Lau, William K.↗

Aerosol-Water Cycle Interaction: A New Challenge in Monsoon Climate Research

Long recognized as a major environmental hazard, aerosol is now known to have strong impacts on both regional and global climate. It has been estimated that aerosol may reduce by up to 10% of the seasonal mean solar radiation reaching the earth surface, producing a global cooling effect that opposes global warming (Climate Change 2001). This means that the potential perils that humans have committed to global warming may be far greater than what we can detect at the present. As a key component of the Earth climate system, the water cycle is profoundly affected by the presence of aerosols in the atmosphere. Through the so-called "direct effect", aerosol scatters and/or absorbs solar radiation, thus cooling the earth surface and changing the horizontal and vertical radiational heating contrast in the atmosphere. The heating contrast drives anomalous atmospheric circulation, resulting in changes in convection, clouds, and rainfall. Another way aerosol can affect the water cycle is through the so-called "indirect effects", whereby aerosol increases the number of cloud condensation nuclei, prolongs life time of clouds, and inhibits the growth of cloud drops to raindrops. This leads to more clouds, and increased reflection of solar radiation, and further cooling at the earth surface. In monsoon regions, the response of the water cycle to aerosol forcing is especially complex, not only because of presence of diverse mix of aerosol species with vastly different radiative properties, but also because the monsoon is strongly influenced by ocean and land surface processes, land use, land change, as well as regional and global greenhouse warming effects. Thus, sorting out the impacts of aerosol forcing, and interaction with the monsoon water cycle is a very challenging problem. In this talk, I will offer some insights into how aerosols may impact the Asian monsoon based on preliminary results from satellite observations and climate model experiments. Specifically, I will discuss the "elevated heat pump" hypothesis, involving atmospheric heating by absorbing aerosols (dust and black carbon) over the southern slopes of the Himalayas, and feedback with the deep convection, in modifying monsoon water cycle over South and East Asia. The role of aerosol forcing relative to those due to sea surface temperature and land surface processes, as well as observation requirements to verify such a hypothesis will also be discussed.

Lau, William K. M.↗

Influence of Aerosols on Monsoon Circulation and Hydroclimate

Long recognized as a major environmental hazard, aerosol is now known to have strong impacts on both regional and global water cycles and climate change. In the Asian monsoon regions, the response of the regional water cycle and climate to aerosol forcing is very complex, not only because of presence of diverse mix of aerosol species with vastly different radiative properties, but also because the monsoon is strongly influenced by ocean and land surface processes, land use, land change, as well as regional and global greenhouse warming effects. Thus, sorting out the impacts of aerosol forcing, and interaction with the monsoon water cycle is a very challenging problem. Up to now, besides the general notion that aerosols may significantly impact monsoon through altering large scale radiative heating gradients, there has been very little information regarding the specific signatures, and mechanisms of aerosol-monsoon water cycle interaction. In this talk, based on preliminary results from observations and climate model experiments, I will offer some insights into how aerosols may impact the Asian monsoon water cycle, in particular the effects of absorbing aerosols (dust and black carbon), and the role of the Tibetan Plateau. The influence of aerosol forcing relative to those due to sea surface temperature and land surface processes, and impact on potential predictability of the monsoon climate system will also be discussed.

Lau, William K.M.↗

Verifying Mars 2020 Sampling and Caching Robotic Functions with Position Budgeting Process and Tool

The Mars 2020 Perseverance Rover was launched on July 30th, 2020 with one of the most complex robotic systems ever implemented on an interplanetary mission. Much of this robotic complexity resides in the Rover Sampling and Caching Subsystem (SCS) to enable collection of Martian samples for eventual return to earth and preparation of surfaces for close-up surface science observations. Two robotic arms are used by SCS: the large Robotic Arm (RA) positions the coring drill and science instruments mounted to the Turret for surface interactions, and the smaller Sample Handling Assembly (SHA) manipulates Sample Tube Assemblies (STA) within the Adaptive Caching Assembly (ACA) to prepare them for sample collection, processing, and hermetic sealing. The robotic arms interact with the Martian surface and other SCS components in many ways and in a variety of configurations, with positioning accuracy requirements ranging from tens of millimeters for some surface interactions down to sub-millimeter accuracy for some ACA interactions.This paper describes the process and tool used to calculate the SCS robotic interaction positioning budgets and verify the as-built hardware when delivered. To ensure that these robotic systems are able to perform their tasks, each robotic interaction with another element was broken down into its composite functions. To calculate a positioning budget margin for each function, an allowable was defined and then compared to the list of error sources that contribute to misalignment. Across the subsystem, over 250 functions were identified to be assessed, with almost 500 error sources feeding into their budget calculations. In addition to using as-built values in the budgets for SCS Verification and Validation (V&V) after the hardware was complete, these budgets were populated with design data during the design phase to identify areas of concern and guide hardware design to ensure positive position budget margins.Because of the size of the SCS team that had inputs to the positioning budgets and the sheer number of items in the budgets that needed to be created, updated, and verified, having a tool that would allow for simultaneous access and robust data integrity and processing was imperative. To accomplish this, a web-based MySQL database was created that allowed users to create function position budgets, link individual errors and allowables to them, and view function position budget margin reports. Each error and allowable records data for lateral, normal, angular, and clocking errors, with the ability to add as-built data for up to four different hardware builds. Margin reports can be generated for either design values alone or replacing design data with as-built data when available. These as-built reports are used for final verification of the SCS positioning requirements. Ultimately, the SCS positioning budget process and database tool led to successful interactions during test and an SCS robotic system that is ready to perform sample acquisition and caching on the surface of Mars.

Williams, Jeffrey↗

Diagnosing the Nature of Land-Atmosphere Coupling During the 2006-7 Dry/Wet Extremes in the U.S. Southern Great Plains

Land-atmosphere interactions play a critical role in determining the diurnal evolution of both planetary boundary layer (PBL) and land surface temperature and moisture states. The degree of coupling between the land surface and PBL in numerical weather prediction and climate models remains largely unexplored and undiagnosed due to the complex interactions and feedbacks present across a range of scales. Further, uncoupled systems or experiments (e.g., the Project for Intercomparison of Land Parameterization Schemes, PILPS) may lead to inaccurate water and energy cycle process understanding by neglecting feedback processes such as PBL-top entrainment. In this study, a framework for diagnosing local land-atmosphere coupling (LoCo) is presented using a coupled mesoscale model with a suite of PBL and land surface model (LSM) options along with observations during the summers of200617 in the U.S. Southern Great Plains. Specifically, the Weather Research and Forecasting (WRF) model has been coupled to NASA's Land Information System (LIS), which provides a flexible and high-resolution representation and initialization of land surface physics and states. A range of diagnostics exploring the links and feedbacks between soil moisture and precipitation are examined for the dry/wet extremes of this region, along with the sensitivity of PBL-LSM coupling to perturbations in soil moisture. As such, this methodology provides a potential pathway to study factors controlling local land-atmosphere coupling (LoCo) using the LIS-WRF system, which is serving as a testbed for LoCo experiments to evaluate coupling diagnostics within the community.

Santanello, Joseph A.↗