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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

The Impacts of Horizontal Grid Spacing and Cumulus Parameterization on Subseasonal Prediction in a Global Convection-Permitting Model

Monthlong simulations targeting four Madden–Julian oscillation events made with several global model configurations are verified against observations to assess the roles of grid spacing and convective parameterization on the representation of tropical convection and midlatitude forecast skill. Specifically, the performance of a global convection-permitting model (CPM) configuration with a uniform 3-km mesh is compared to that of a global 15-km mesh with and without convective parameterization, and of a variable-resolution “channel” simulation using 3-km grid spacing only in the tropics with a scale-aware convection scheme. It is shown that global 3-km simulations produce realistic tropical precipitation statistics, except for an overall wet bias and delayed diurnal cycle. The channel simulation performs similarly, although with an unrealistically higher frequency of heavy rain. The 15-km simulations with and without cumulus schemes produce too much light and heavy tropical precipitation, respectively. Without convection parameterization, the 15-km global model produces unrealistically abundant, short-lived, and intense convection throughout the tropics. Only the global CPM configuration is able to capture eastward-propagating Madden–Julian oscillation events, and the 15-km runs favor stationary or westward-propagating convection organized at the planetary scale. The global 3-km CPM exhibits the highest extratropical forecast skill aloft and at the surface, particularly during week 3 of each hindcast. Although more cases are needed to confirm these results, this study highlights many potential benefits of using global CPMs for subseasonal forecasting. Furthermore, results show that alternatives to global convection-permitting resolution—using coarser or spatially variable resolution—feature compromises that may reduce their predictive performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Assessment and Coordination of EVSE Cybersecurity Standards

Cybersecurity certification programs for Electric Vehicle Supply Equipment (EVSE) are fragmented due to no single certification covering all aspects of the device and additionally the existence of multiple programs and under different levels of regulation. These devices are also confronted by the intricate assembly of product software, firmware, and hardware. Devices contain both logical and physical interfaces. These multifaceted devices have vulnerabilities at many levels and interconnect with other potentially vulnerable systems including the electric vehicle, the cloud where data and payment information are stored, and the electric grid and electric grid equipment including utilities. Of the EVSE certification programs that are found, none are directly for the cybersecurity of EVSE. Many standards are for safety, specifically battery safety, some are cybersecurity standards for other types of equipment and can be modeled for EVSE. In specific, ISA/IEC 62443 is found to be significantly in line with EVSE security needs and will be used in future testing to certify EVSE and help guide the project to demonstrate where gaps exist, where strengths lie in the standard and how this can be used to lead the certification efforts in harmonizing EVSE cybersecurity standards. In addition, there are multiple efforts that are currently seeking to build EVSE standards or revise existing standards to address gaps. This effort is seeking to establish a cybersecurity program for EVSE that will inform customers and help increase the level of security across products and state EVSE procurements to achieve consistency across different jurisdictions.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

EPCAPE – Ultrafine Particle Properties Field Campaign Report

The U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility’s Eastern Pacific Cloud Aerosol Precipitation Experiment – Ultrafine Particle Properties (EPCAPE-UPP) campaign combined a unique suite of instruments to probe the chemical and physical properties of ultrafine (sub-100-nm) atmospheric particles from 15 April to 15 June 2023 at the Mt. Soledad campaign site near San Diego, California.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

The National Climate Data Base (NCDB): A Bias-Corrected High-Resolution Climate Dataset

Assessing renewable energy resources under future climate scenarios has been highlighted in recent years to analyze and understand potential impacts of future change in renewable generation on the power sector. Solar energy is well-known as the most plentiful among various renewable resources and usually converted to electricity using photovoltaics (PV) technologies, and the global deployment of PV technology has increased rapidly in recent decades. In this study, we develop a statistical technique to downscale the future projection of solar irradiance for PV energy-related applications. A set of Regional Climate Model (RCM)-based projections obtained from the North American Coordinated Regional Climate Downscaling Experiment (NA-CORDEX) are used as inputs to statistical methods to generate high-resolution global horizontal irradiance (GHI) over the contiguous United States (CONUS). The main steps of the statistical downscaling method include (1) regridding RCM output (0.22 degree and daily resolutions) to handle the modeled-observed data sets on a common grid, (2) correcting bias of RCM GHI using satellite-derived observation, and (3) implementing temporal and spatial downscaling to generate GHI at 8-km and hourly resolution. Basically, complex physical processes and interactions between solar radiation and various atmospheric constituents lead solar irradiance to be highly variable and uncertain. Underrepresentation of clouds from the RCM parameterizations is the main source of error and uncertainty in modeling solar irradiance. Thus, we adapt and use the high-quality satellite-derived data from the National Solar Radiation Database (NSRDB) to analyze the bias and error of RCM GHI as well as estimate the statistical parameters for spatial and temporal downscaling. This presentation will summarize the comprehensive analysis conducted to produce and assess the results under two climate scenarios (RCP4.5 and RCP8.5). We will also present a detailed validation demonstrating the strengths of the proposed downscaling method and future extension of this research.

climate data↗
DOE OSTI2024

The National Climate Database (NCDB): An Unbiased 100-Year Dataset for PV Modeling

In this study, we develop a statistical technique to downscale the future projection of solar irradiance for photovoltaics (PV) energy-related applications. A set of Regional Climate Model (RCM)-based projections obtained from the North American Coordinated Regional Climate Downscaling Experiment (NA-CORDEX) are used as inputs to statistical methods to generate high-resolution global horizontal irradiance (GHI) over the contiguous United States (CONUS). The main steps of the statistical downscaling method include (1) regridding RCM output (0.22 degree and daily resolutions) to handle the modeled-observed data sets on a common grid, (2) correcting bias of RCM GHI using satellite-derived observation, and (3) implementing temporal and spatial downscaling to generate GHI at 8-km and hourly resolution. Basically, complex physical processes and interactions between solar radiation and various atmospheric constituents lead solar irradiance to be highly variable and uncertain. Underrepresentation of clouds from the RCM parameterizations is the main source of error and uncertainty in modeling solar irradiance. Thus, we adapt and use the high-quality satellite-derived data from the National Solar Radiation Database (NSRDB) to analyze the bias and error of RCM GHI as well as estimate the statistical parameters for spatial and temporal downscaling. This presentation will summarize the comprehensive analysis conducted to produce and assess the results under two climate scenarios (RCP4.5 and RCP8.5). We will also present a detailed validation demonstrating the strengths of the downscaling method, a summary of the 100-year dataset from 2001-2100, and future extension of this research.

bias correction↗
DOE OSTI2022

SPACE: 3D parallel solvers for Vlasov-Maxwell and Vlasov-Poisson equations for relativistic plasmas with atomic transformations

A parallel, relativistic, three-dimensional particle-in-cell code SPACE has been developed for the simulation of electromagnetic fields, relativistic particle beams, and plasmas. In addition to the standard second-order Particle-in-Cell (PIC) algorithm, SPACE includes efficient novel algorithms to resolve atomic physics processes such as multi-level ionization of plasma atoms, recombination, and electron attachment to dopants in dense neutral gases. SPACE also contains a highly adaptive particle-based method, called Adaptive Particle-in-Cloud (AP-Cloud), for solving the Vlasov-Poisson problems. It eliminates the traditional Cartesian mesh of PIC and replaces it with an adaptive octree data structure. The code's algorithms, structure, capabilities, parallelization strategy, and performance have been discussed. Additionally, typical examples of SPACE applications to accelerator science and engineering problems are described.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Investigating the Impacts of Aqueous-Phase Processing on Organic Aerosol Chemical Climatology Using ARM and ASR Observations

This project improved understanding of how atmospheric aerosol particles form and evolve, with a focus on the role of water-driven (aqueous-phase) chemical reactions in the atmosphere. These processes occur in clouds, fog, and humid air and can significantly change the composition and properties of airborne particles, known as aerosols, which influence air quality and climate. By combining field measurements, laboratory experiments, and advanced analytical techniques, the project identified key chemical signatures that allow scientists to distinguish particles formed through aqueous processes from those formed in the gas phase. Observations from multiple environments, including wildfire smoke, urban regions, and cloud-influenced areas, show that aqueous chemistry is an important pathway for particle formation and aging. The project also developed new measurement approaches using uncrewed aerial systems (UAS) to capture how aerosol composition varies with altitude, providing critical insights into how particles interact with clouds. In addition, new data analysis frameworks were created to better interpret long-term aerosol measurements and improve characterization of particle sources and transformations. These results have been integrated into a global database of aerosol measurements and used to support atmospheric modeling efforts. Overall, the project provides important tools and knowledge to improve predictions of how aerosols affect climate and air quality, particularly through their interactions with radiation and clouds.

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

Particle inertial effects on radar Doppler spectra simulation

Abstract. Radar Doppler spectra observations provide a wealth of information about cloud and precipitation microphysics and dynamics. The interpretation of these measurements depends on our ability to simulate these observations accurately using a forward model. The effect of small-scale turbulence on the radar Doppler spectra shape has been traditionally treated by implementing the convolution process on the hydrometeor reflectivity spectrum and environmental turbulence. This approach assumes that all the particles in the radar sampling volume respond the same to turbulent-scale velocity fluctuations and neglects the particle inertial effect. Here, we investigate the inertial effects of liquid-phase particles on the forward modeled radar Doppler spectra. A physics-based simulation (PBS) is developed to demonstrate that big droplets, with large inertia, are unable to follow the rapid change of the velocity field in a turbulent environment. These findings are incorporated into a new radar Doppler spectra simulator. Comparison between the traditional and newly formulated radar Doppler spectra simulators indicates that the conventional simulator leads to an unrealistic broadening of the spectrum, especially in a strong turbulent environment. This study provides clear evidence to illustrate the droplet inertial effect on radar Doppler spectrum and develops a physics-based simulator framework to accurately emulate the Doppler spectrum for a given droplet size distribution (DSD) in a turbulence field. The proposed simulator has various potential applications for the cloud and precipitation studies, and it provides a valuable tool to decode the cloud microphysical and dynamical properties from Doppler radar observation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Effects of marine organic aerosols as sources of immersion-mode ice-nucleating particles on high-latitude mixed-phase clouds

Mixed-phase clouds are frequently observed in high-latitude regions and have important impacts on the surface energy budget and regional climate. Marine organic aerosol (MOA), a natural source of aerosol emitted over ~70 % of Earth's surface, may significantly modify the properties and radiative forcing of mixed-phase clouds. However, the relative importance of MOA as a source of ice-nucleating particles (INPs) in comparison to mineral dust, and MOA's effects as cloud condensation nuclei (CCN) and INPs on mixed-phase clouds are still open questions. In this study, we implement MOA as a new aerosol species into the Community Atmosphere Model version 6 (CAM6), the atmosphere component of the Community Earth System Model version 2 (CESM2), and allow the treatment of aerosol–cloud interactions of MOA via droplet activation and ice nucleation. CAM6 reproduces observed seasonal cycles of marine organic matter at Mace Head and Amsterdam Island when the MOA fraction of sea spray aerosol in the model is assumed to depend on sea spray biology but fails when this fraction is assumed to be constant. Model results indicate that marine INPs dominate primary ice nucleation below 400 hPa over the Southern Ocean and Arctic boundary layer, while dust INPs are more abundant elsewhere. By acting as CCN, MOA exerts a shortwave cloud forcing change of -2.78 W m-2 over the Southern Ocean in the austral summer. By acting as INPs, MOA enhances the longwave cloud forcing by 0.35 W m-2 over the Southern Ocean in the austral winter. The annual global mean net cloud forcing changes due to CCN and INPs of MOA are -0.35 and 0.016 W m-2, respectively. These findings highlight the vital importance for Earth system models to consider MOA as an important aerosol species for the interactions of biogeochemistry, hydrological cycle, and climate change.

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

A 1D Model for Nucleation of Ice From Aerosol Particles: An Application to a Mixed‐Phase Arctic Stratus Cloud Layer

Abstract Mixed‐phase clouds (MPCs) have been identified as significant contributors to uncertainties in climate projections, attributable to model representation of processes controlling the formation and loss of supercooled water droplets and ice particles from the atmosphere. Arctic MPCs are commonly widespread and long‐lived, with sustained ice crystal formation processes that challenge current understanding. This study examines the ice‐nucleating particle (INP) reservoir dynamics governing immersion‐mode heterogeneous freezing in an observed case of Arctic MPCs using a simplified 1D aerosol‐cloud model. The model setup includes prescribed dynamical forcings and thermodynamic profiles, and represents INPs as multicomponent and polydisperse particle size distributions. Diagnostic and prognostic approaches to immersion freezing parameterization are compared, including time‐independent (singular) number‐ and surface area‐based descriptions and a time‐dependent description following classical nucleation theory (CNT). The choice of freezing parameterization defines the size of the INP reservoir. The CNT‐based description yields an orders of magnitude larger INP reservoir than the singular parameterizations, which is the dominant factor for sustained ice crystal formation. The efficiency of the freezing process and cloud cooling are of secondary importance. A diagnostic treatment neglecting INP loss is only accurate when the INP reservoir size is large and INP depletion weak. Since a larger INP reservoir sustains ice crystal formation substantially longer, and ice water path scales with ice crystal concentrations for the conditions considered, resolving the source of differences in INP reservoir dynamics due to model implementation is a high priority for advancing climate model physics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Cation, Anion, and Radical Isomers of C4H4N: Computational Characterization and Implications for Astrophysical and Planetary Environments

Nitrogen-containing ions and molecules in the gas phase have been detected in non-Earth environments such as dark molecular clouds and more recently in the atmosphere of Saturn's moon Titan. These molecules may serve as precursors to larger heterocyclic structures that provide the foundation of complex biological molecules. On Titan, molecules of m/z 66 have been detected by the Cassini mission, and species of the empirical formula C 4 H 4 N may contribute to this signature. We have characterized seven isomers of C 4 H 4 N in anionic, neutral radical, and cationic states using density functional theory. Structures were optimized using the range-separated hybrid ωB97X-V with the cc-pVTZ and aug-cc-pVTZ basis sets. Anionic and radical C4H4N favor cyclic structures with aromatic and quasi-aromatic electron arrangements, respectively. Interestingly, ionization from the radical surface to the cation induces significant changes in structural stability, and the global minimum for positively charged isomers is CH 2 CCHCNH + , a pseudo-linear species reminiscent of cyanoallene. Select formation pathways to these structures from Titan's existing or postulated gas-phase species, reactions that are also relevant for other astrophysical environments, are discussed. By characterizing C 4 H 4 N isomers, we have identified energetically stable anionic, radical, and cationic structures that may be present in Titan's atmosphere and dark molecular clouds.

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

Chemical Imaging of Atmospheric Biomass Burning Particles from North American Wildfires

The effects of biomass burning aerosols (BBA) on radiative forcing and cloud formation depend on chemical composition and the internal structures of individual particles within smoke plumes. To improve our understanding of the chemical and physical properties of BBA emitted at different times of the day and their evolution during atmospheric aging, we conducted a study as a part of the Fire Influence on Regional to Global Environments and Air Quality field campaign. Particle samples were collected onboard a research aircraft from smoke plumes from a wildfire in eastern Oregon during late afternoon and nighttime flights on August 28, 2019. A time-resolved aerosol collector was used to collect samples on substrates for offline spectromicroscopic imaging to investigate the single-particle characteristics of BBA particles. Approximately 20,400 individual particles from 10 selected samples were analyzed using computer-controlled scanning electron microscopy coupled with energy-dispersive X-ray microanalysis, revealing their elemental composition, morphology, and viscosity. Elemental microanalysis indicated that aged potassium is likely found in the form of K 2 SO 4 , KNO 3 , and possible K-organic salts. Further chemical speciation and carbon bonding mapping within individual particles were conducted using synchrotron-based scanning transmission X-ray microscopy (STXM) coupled with near edge X-ray absorption fine structure (NEXAFS) spectroscopy. Real-time, water-soluble light absorption measurements were acquired using a particle-into-liquid sampler instrument coupled to a liquid waveguide capillary cell and total organic analyzer. In the late afternoon samples, 65% of the total particle number population consisted entirely of organic components, compared to 46% in the nighttime particles. These differences were attributed to discrepancies in composition at the time of emission and to the daytime condensation and accumulation of photochemically formed secondary organic material on existing BBA particles, a process that halts at night. Microscopy images indicated that particle viscosity was lower in the nighttime particles (<10 1 Pa·s), likely due to increased relative humidity and a higher contribution from hygroscopic inorganic components. The chemical heterogeneity of individual particles was quantified using STXM-derived mixing state parameters. The nature of carbon bonding within individual particles was inferred from the extent of carbon sp 2 hybridization derived from NEXAFS spectra. Average percentages of sp 2 hybridization range between 40% and 60%, with no noticeable differences between late afternoon and nighttime flights. These findings were compared with the online optical properties of both late afternoon and nighttime smoke plumes, providing valuable insights into the complex relationship between chemical composition and optical properties of BBA particles at different times of the day.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

The 2175 Å bump features in FeLoBAL quasars: One indicator of MW-like dust in the nuclear region of quasars

To investigate the properties of dust in the nuclear region of quasars, we explored the extinction curves of the iron low-ionisation broad absorption line (FeLoBAL) quasar SDSS J163004.29+311957.6 and its two analogues. The parametrised extinction curves indicated the Milky Way-like 2175 Å bump features in underlying extinction, which are similar to those seen in the Local Group and in a subset of high-redshift star-forming galaxies. Compared to the bump features in the Large Magellanic Cloud (LMC), the detections in this work are much closer to those in the Milky Way (MW). These bump features, as well as those in the high- and low-ionisation broad absorption line (BAL) quasars with 2175 Å bumps, are probably the counterpart of the 2175 Å bump features in the quasar environment. This type of dust grain is generally small, easily disrupted by high-energy photons, and has difficulty surviving in the radiation field of the active galactic nucleus. However, due to the presence of absorption-line outflows, the 2175 Å bump feature in quasars, which should be rare, is seen many times in BAL quasars. The shielding effect of outflow clouds allows the MW-like dust grains to be assembled or extends the survival period in the quasar nuclear region. The process and physical and chemical conditions deserve further observational study and investigation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Collisional excitation of interstellar PN by H 2 : New interaction potential and scattering calculations

Here, rotational excitation of interstellar PN molecules induced by collisions with H 2 is investigated. We present the first ab initio four-dimensional potential energy surface (PES) for the PN–H 2 van der Waals system. The PES was obtained using an explicitly correlated coupled cluster approach with single, double, and perturbative triple excitations [CCSD(T)-F12b]. The method of interpolating moving least squares was used to construct an analytical PES from these data. The equilibrium structure of the complex was found to be linear, with H 2 aligned at the N end of the PN molecule, at an intermolecular separation of 4.2 Å. The corresponding well-depth is 224.3 cm -1 . The dissociation energies were found to be 40.19 cm -1 and 75.05 cm -1 for complexes of PN with ortho-H 2 and para-H 2 , respectively. Integral cross sections for rotational excitation in PN–H 2 collisions were calculated using the new PES and were found to be strongly dependent on the rotational level of the H 2 molecule. These new collisional data will be crucial to improve the estimation of PN abundance in the interstellar medium from observational spectra.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Overview of the MOSAiC expedition—Atmosphere

With the Arctic rapidly changing, the needs to observe, understand, and model the changes are essential. To support these needs, an annual cycle of observations of atmospheric properties, processes, and interactions were made while drifting with the sea ice across the central Arctic during the Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition from October 2019 to September 2020. An international team designed and implemented the comprehensive program to document and characterize all aspects of the Arctic atmospheric system in unprecedented detail, using a variety of approaches, and across multiple scales. These measurements were coordinated with other observational teams to explore cross-cutting and coupled interactions with the Arctic Ocean, sea ice, and ecosystem through a variety of physical and biogeochemical processes. This overview outlines the breadth and complexity of the atmospheric research program, which was organized into 4 subgroups: atmospheric state, clouds and precipitation, gases and aerosols, and energy budgets. Atmospheric variability over the annual cycle revealed important influences from a persistent large-scale winter circulation pattern, leading to some storms with pressure and winds that were outside the interquartile range of past conditions suggested by long-term reanalysis. Similarly, the MOSAiC location was warmer and wetter in summer than the reanalysis climatology, in part due to its close proximity to the sea ice edge. The comprehensiveness of the observational program for characterizing and analyzing atmospheric phenomena is demonstrated via a winter case study examining air mass transitions and a summer case study examining vertical atmospheric evolution. Overall, the MOSAiC atmospheric program successfully met its objectives and was the most comprehensive atmospheric measurement program to date conducted over the Arctic sea ice. The obtained data will support a broad range of coupled-system scientific research and provide an important foundation for advancing multiscale modeling capabilities in the Arctic.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Snowmass 2021 Computational Frontier CompF4 Topical Group Report Storage and Processing Resource Access

Computing plays a significant role in all areas of high energy physics. The Snowmass 2021 CompF4 topical group's scope is facilities R&D, where we consider "facilities" as the computing hardware and software infrastructure inside the data centers plus the networking between data centers, irrespective of who owns them, and what policies are applied for using them. In other words, it includes commercial clouds, federally funded High Performance Computing (HPC) systems for all of science, and systems funded explicitly for a given experimental or theoretical program. This topical group report summarizes the findings and recommendations for the storage, processing, networking and associated software service infrastructures for future high energy physics research, based on the discussions organized through the Snowmass 2021 community study.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Modeling multiple scattering transient of an ultrashort laser pulse by spherical particles

The multiple scattering of an ultrashort laser pulse by a turbid dispersive medium (namely a cloud of bubbles in water) is investigated by means of Monte Carlo simulations. The theory of Gouesbet and Gréhan (2000) is used to derive an energetic model of the scattering transient. It is shown that the spreading and extinction of the pulse can be decoupled from the transient of scattering, which allows to describe each phenomenon individually. The transient of scattering is modeled with the Lorenz-Mie Theory and thus is also valid for a relative refractive index lower than one, contrary to the Debye series expansion which does not converge close to the critical angle. This is made possible after the introduction of a new physical object, the Scattering Impulse Response Function (SIRF) which allows to detect the different modes of scattering transient, in time and direction. Here the present approach is more generic, as it enables to simulate clouds of air bubbles in water, which was not possible previously. Two different approaches are proposed within the Monte Carlo framework. The first is a pure Monte Carlo approach where the delay due to the scattering is randomly drawn at each event, while the second is based on the transport of the whole scattering signal. They are both embedded in the Monte Carlo code Scatter3D. Both models produce equivalent trends and are validated against published numerical results. They are then applied to the multiple scattering of ultra short pulse by a cloud of bubble in water in the forward direction. The pulse spread due to the propagation in water is computed for a wide range of traveled distances and pulse durations, and the optimal pulse duration is given to minimize the pulse spread at a given distance. The main result is that the scattered photons exit the turbid medium earlier than the ballistic photons and produce a double peak related to the refraction in the bubble. This demonstrates the possibility to develop new diagnostics to characterize dynamic bubbly flows.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗