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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

INTEGRATED WORKFLOW MANAGEMENT FOR PARTICLE ACCELERATOR SIMULATION

Supercomputing systems are used for a wide range of computationally demanding tasks in many fields of science and engineering. They play a key role in numerical simulation, in which mathematical models are computed in order to simulate the behavior of physical systems. Scientists and engineers that use supercomputers for numerical simulation often have their productivity limited by the need to manually organize and manage extremely large amounts of data that are often produced and consumed by the software programs run on these systems. Recognizing these limitations, Kitware Inc. (Clifton Park, NY) and SLAC National Accelerator Laboratory (Menlo Park, CA) are developing an advanced software platform that can reduce the cognitive overhead required by knowledge workers when using supercomputers for numerical simulation. Phase I of the project is complete and includes the development of new capabilities for organizing simulation project files, improvements to the user interface and overall usability, and deployment of a “middle tier” server to sit between user desktop machines and supercomputers to offload much of the data management workload. The project also developed prototype software for executing sequences of numerical simulations, and a prototype for migrating supercomputing software to cloud-based computing systems to provide a potential alternative to supercomputers with different logistical and price-to-performance tradeoffs.

Tourtellott, John↗
DOE OSTI2024

Exploring the chemical dynamics of phenanthrene (C 14 H 10 ) formation via the bimolecular gas-phase reaction of the phenylethynyl radical (C 6 H 5 CC) with benzene (C 6 H 6 )

The exploration of the fundamental formation mechanisms of polycyclic aromatic hydrocarbons (PAHs) is crucial for the understanding of molecular mass growth processes leading to two- and three-dimensional carbonaceous nanostructures (nanosheets, graphenes, nanotubes, buckyballs) in extraterrestrial environments (circumstellar envelopes, planetary nebulae, molecular clouds) and combustion systems. While key studies have been conducted exploiting traditional, high-temperature mechanisms such as the hydrogen abstraction–acetylene addition (HACA) and phenyl addition–dehydrocyclization (PAC) pathways, the complexity of extreme environments highlights the necessity of investigating chemically diverse mass growth reaction mechanisms leading to PAHs. Employing the crossed molecular beams technique coupled with electronic structure calculations, we report on the gas-phase synthesis of phenanthrene (C 14 H 10 )—a three-ring, 14π benzenoid PAH—via a phenylethynyl addition–cyclization–aromatization mechanism, featuring bimolecular reactions of the phenylethynyl radical (C 6 H 5 CC, X 2 A 1 ) with benzene (C 6 H 6 ) under single collision conditions. The dynamics involve a phenylethynyl radical addition to benzene without entrance barrier leading eventually to phenanthrene via indirect scattering dynamics through C 14 H 11 intermediates. The barrierless nature of reaction allows rapid access to phenanthrene in low-temperature environments such as cold molecular clouds which can reach temperatures as low as 10 K. Furthermore, this mechanism constitutes a unique, low-temperature framework for the formation of PAHs as building blocks in molecular mass growth processes to carbonaceous nanostructures in extraterrestrial environments thus affording critical insight into the low-temperature hydrocarbon chemistry in our universe.

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

Investigation of Arctic Cloud Properties and Surface Radiation Based on MOSAiC Shipborne Observations

The Arctic is rapidly changing due to changes of the Earth system. This study investigates cloud fraction, phase partition, cloud type, and their relationships with surface radiation based on yearlong shipborne observations in the Arctic regions. The Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) campaign provided lidar and radar observations of cloud microphysical properties and surface shortwave (SW) and longwave (LW) radiation. Cloud and radiative properties were examined at daily and monthly resolutions in four seasons. Low clouds were found to be most prevalent throughout the year, followed by deep clouds. The ice phase is the dominant phase except for summer (June–August). Liquid and mixed phases show more significant monthly and annual mean radiative effects in SW and LW than the ice phase. The clouds show net warming effects due to LW heating in most months, while the SW cooling effects of clouds become more dominant for July and August. The cloud and radiation observations from MOSAiC were used to evaluate simulations of the atmospheric component of the Energy Exascale Earth System Model version 2. The simulations show large overestimations of the liquid and mixed phases in the Arctic regions from February to September. The simulations also underestimate the percentages of low clouds and overestimate the percentages of deep clouds throughout the year. Altogether, this work provides a unique analysis of cloud and radiation properties based on high-resolution shipborne observations, which can be used to assist future model evaluation and development.

58 GEOSCIENCES↗
DOE OSTI2021

The Implementation of Framework for Improvement by Vertical Enhancement Into Energy Exascale Earth System Model

Abstract The low cloud bias in global climate models (GCMs) remains an unsolved problem. Coarse vertical resolution in GCMs has been suggested to be a significant cause of low cloud bias because planetary boundary layer parameterizations cannot resolve sharp temperature and moisture gradients often found at the top of subtropical stratocumulus layers. This work aims to ameliorate the low cloud problem by implementing a new computational method, the Framework for Improvement by Vertical Enhancement (FIVE), into the Energy Exascale Earth System Model (E3SM). Three physics schemes representing microphysics, radiation, and turbulence as well as vertical advection are interfaced to vertically enhanced physics (VEP), which allows for these processes to be computed on a higher vertical resolution grid compared to the rest of the E3SM model. We demonstrate the better representation of subtropical boundary layer clouds with FIVE while limiting additional computational cost from the increased number of levels. When the vertical resolution approaches the large eddy simulation‐like vertical resolution in VEP, the climatological low cloud amount shows a significant increase of more than 30% in the southeastern Pacific Ocean. Using FIVE to improve the representation of low‐level clouds does not come with any negative side effects associated with the simulation of mid‐ and high‐level cloud and precipitation, that can occur when running the full model at higher vertical resolution.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

How Could Future Climate Conditions Reshape a Devastating Lake‐Effect Snow Storm?

Abstract Lake‐effect snow (LES) storms, characterized by heavy convective precipitation downwind of large lakes, pose significant coastal hazards with severe socioeconomic consequences in vulnerable areas. In this study, we investigate how devastating LES storms could evolve in the future by employing a storyline approach, using the LES storm that occurred over Buffalo, New York, in November 2022 as an example. Using a Pseudo‐Global Warming method with a fully three‐dimensional two‐way coupled lake‐land‐atmosphere modeling system at a cloud‐resolving 4 km resolution, we show a 14% increase in storm precipitation under the end‐century warming. This increase in precipitation is accompanied by a transition in the precipitation form from predominantly snowfall to nearly equal parts snowfall and rainfall. Through additional simulations with isolated atmospheric and lake warming, we discerned that the warmer lake contributes to increased storm precipitation through enhanced evaporation while the warmer atmosphere contributes to the increase in the storm's rainfall, at the expense of snowfall. More importantly, this shift from snowfall to rainfall was found to nearly double the area experiencing another winter hazard, Rain‐on‐Snow. Our study provides a plausible future storyline for the Buffalo LES storm, focusing on understanding the intricate interplay between atmospheric and lake warming in shaping the future dynamics of LES storms. It emphasizes the importance of accurately capturing the changing lake‐atmosphere dynamics during LES storms under future warming.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

PERSIANN-CCS-CDR, a 3-hourly 0.04° global precipitation climate data record for heavy precipitation studies

Accurate long-term global precipitation estimates, especially for heavy precipitation rates, at fine spatial and temporal resolutions is vital for a wide variety of climatological studies. Most of the available operational precipitation estimation datasets provide either high spatial resolution with short-term duration estimates or lower spatial resolution with long-term duration estimates. Furthermore, previous research has stressed that most of the available satellite-based precipitation products show poor performance for capturing extreme events at high temporal resolution. Therefore, there is a need for a precipitation product that reliably detects heavy precipitation rates with fine spatiotemporal resolution and a longer period of record. Precipitation Estimation from Remotely Sensed Information using Artificial Neural Networks-Cloud Classification System-Climate Data Record (PERSIANN-CCS-CDR) is designed to address these limitations. This dataset provides precipitation estimates at 0.04° spatial and 3-hourly temporal resolutions from 1983 to present over the global domain of 60°S to 60°N. Evaluations of PERSIANN-CCS-CDR and PERSIANN-CDR against gauge and radar observations show the better performance of PERSIANN-CCS-CDR in representing the spatiotemporal resolution, magnitude, and spatial distribution patterns of precipitation, especially for extreme events.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Underestimated marine stratocumulus cloud feedback associated with overly active deep convection in models

Cloud feedback remains the largest source of uncertainty in equilibrium climate sensitivity (ECS). Many studies have attempted to narrow uncertainties in cloud feedback and ECS by proposing observable metrics with high skill at predicting future climate, referred to as emergent constraints. These constraints are often associated with clouds, convection, and circulation, and are interrelated. However, physical explanations for these connections remain unclear. Here, we propose a new mechanism relating convection and clouds across multiple climate models. Some models show overly active deep convection on daily timescales in the subtropical low cloud regions, which contributes to weaker subsidence inversion and smaller amounts of low-level clouds. Such models predict smaller shortwave (SW) cloud feedback. Using precipitation frequency in these regions as an emergent constraint, encapsulating this mechanism, models with lower SW cloud feedback (<0.50 W m -2 °C - 1) are found to exhibit erroneously frequent convection. Our results suggest that further improvements in understanding and better modeling of cloud and convective systems are necessary for accurate climate predictions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Anharmonic theory of superconductivity in the high-pressure materials

Electron-phonon superconductors at high pressures have displayed the highest values of critical superconducting temperature Tc on record, now rapidly approaching room temperature. Despite the importance of high-P superconductivity in the quest for room-temperature superconductors, a mechanistic understanding of the effect of pressure and its complex interplay with phonon anharmonicity and superconductivity is missing, as numerical simulations can bring only system-specific details, clouding out key players controlling the physics. In this work, we develop a minimal model of electron-phonon superconductivity under an applied pressure which takes into account the anharmonic decoherence of the optical phonons. We find that T c behaves nonmonotonically as a function of the ratio Γ/ω 0 , where Γ is the optical phonon damping and ω 0 is the optical phonon energy at zero pressure and momentum. Optimal pairing occurs for a critical ratio Γ/ω 0 when the phonons are on the verge of decoherence (“diffusonlike” limit). Our framework gives insights into recent experimental observations of T c as a function of pressure in the complex BCS material TlInTe 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2022

NATS Client for LabVIEW

LabVIEW client for NATS, the cloud native messaging system.

Herron, Andrew [Oak Ridge National Lab. (ORNL), Oa↗
DOE OSTI2020

Investigating Scientific Workload Acceleration using BlueField SmartNICs [Slides]

Modern computing platforms whose workloads generate large amounts of network traffic, such as cloud and HPC systems, often suffer from performance bottlenecks associated with the network interface. In order to alleviate the effects of this obstacle, a new generation of accelerators known as ‘SmartNICs’, which are designed to offload low level networking tasks from the processor into the NIC, have emerged.

42 ENGINEERING↗
DOE OSTI2026

Experimental Report: Multi-Instrument Comparison of AAF Condensation Particle Counters

Condensation particle counters (CPCs), also known as condensation nucleus counters (CNCs) are sophisticated instruments designed to measure the concentration of aerosol particles in the atmosphere. These devices are pivotal in environmental monitoring, industrial applications, and scientific research, particularly in atmospheric studies. CPCs are vital for understanding the role of aerosols in climate systems. Aerosols influence cloud formation, radiative forcing, and atmospheric chemistry. By providing accurate measurements of particle concentrations and distributions, CPCs contribute to models that predict atmospheric impact and weather patterns (Mei et al. 2021). CPCs operate by enlarging submicron particles, including those as small as a few nanometers, to sizes detectable by optical methods. This report delves into the mechanisms, importance, and contributions of CPCs to atmospheric research at the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) Aerial Facility (AAF), highlighting their role in advancing air quality assessment, pollution control, and atmospheric studies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

SIDM Concerto: Compilation and Data Release of Self-interacting Dark Matter Zoom-in Simulations

We present SIDM Concerto: 14 cosmological zoom-in simulations in cold dark matter (CDM) and self-interacting dark matter (SIDM) models based on the Symphony and Milky Way-est suites. SIDM Concerto includes one Large Magellanic Cloud– (LMC-) mass system (host mass ∼10 11 M ⊙ ), two Milky Way (MW) analogs (∼10 12 M ⊙ ), two group-mass hosts (∼10 13 M ⊙ ), and one low-mass cluster (∼10 14 M ⊙ ). Each host contains ≈2 × 10 7 particles and is run in CDM and one or more strong, velocity-dependent SIDM models. Our analysis of SIDM (sub)halo populations over seven subhalo mass decades reveals that (1) the fraction of core-collapsed isolated halos and subhalos peaks at a maximum circular velocity corresponding to the transition of the SIDM cross section from a v −4 to v 0 scaling; (2) SIDM subhalo mass functions are suppressed by ≈50% relative to CDM in LMC, MW, and group-mass hosts but are consistent with CDM in the low-mass cluster host; (3) subhalos’ inner density profile slopes, which are more diverse in SIDM than in CDM, are sensitive to both the amplitude and shape of the SIDM cross section. Our simulations provide a benchmark for testing SIDM predictions with astrophysical observations of field and satellite galaxies, strong lensing systems, and stellar streams. Data products are publicly available at doi:10.5281/zenodo.14933624.

dark matter↗
DOE OSTI2023

NREL Project CloudZero

The National Renewable Energy Laboratory's (NREL's) CloudZero project is evaluating the ability to reliably and securely manage complex energy systems from the cloud, identifying major technical and regulatory barriers to cloud adoption, suggesting new security controls and best practices for cloud applications, and empowering industry to embrace the cloud, where appropriate.

cloud↗
DOE OSTI2023

Characterizing the Variation and Covariation of Cloud Microphysical Properties and Implications for Simulation of Subgrid-scale Warm-Rain Processes in Earth System Models (Final DOE-ASR Report)

Warm marine boundary layer (MBL) clouds constitute an important component in the global climate system, and precipitation plays a central role in controlling the water budget, radiative effects, and lifetime of these MBL clouds. Unfortunately, because of the relatively coarse effective grid resolution of the current generation of Earth system models (ESMs), the variety of cloud microphysical processes occurring inside an ESM grid cell are often oversimplified or unconstrained by observations. For example, the warm rain processes (e.g., autoconversion and accretion) are usually parameterized as nonlinear functions of grid-mean cloud properties. Because of the nonlinear nature of these functions, neglecting variability within the ESM grid volume can lead to substantial biases in precipitation production, cloud cover, and surface radiative fluxes. In state-of-the art ESMs, the influence of subgrid-scale variability is represented as an enhancement factor (EF) coefficient to the autoconversion, and accretion rates calculated from the model variables. However, EF is typically taken to be a constant or even used as a knob to tune model cloud properties to match observations, an ad hoc approach that may yield a desired cloud outcome yet introduce compensating errors. In this project, we used the combination of in situ cloud microphysics measurements from the ACE-ENA field campaign and large-eddy simulations (LES) to characterize and understand subgrid-scale variations and co-variations of cloud microphysical properties and use the results to evaluate and improve the representation of subgrid warm-rain processes in ESMs, in particular the EF used to tune the autoconversion and accretion processes. In this final report, we summarize our research activities and main findings in Section 2, provide a list of publications (Section 3) and presentations (Section 4) resulted from our research, and briefly discuss the student activities supported by this project.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Kelvin Waves during GOAmazon and Their Relationship to Deep Convection

The 2014–15 Observations and Modeling of the Green Ocean Amazon (GOAmazon) field campaign over the central Amazon near Manaus, Brazil, occurred in coordination with the larger Cloud Processes of the Main Precipitation Systems in Brazil: A Contribution to Cloud-Resolving Modeling and to the Global Precipitation Measurement (CHUVA) project across Brazil. These programs provide observations of convection over the central Amazon on diurnal to annual time scales. Here, we address the question of how Kelvin waves, observed in satellite observations of deep cloud cover over the GOAmazon region during the 2014–15 time period, modulate the growth, type, and organization of convection over the central Amazon. The answer to this question has implications for improved predictability of organized systems over the region and representation of convection and its growth on local to synoptic scales in global models. Our results demonstrate that Kelvin waves are strong modulators of synoptic-scale low- to midlevel free-tropospheric moisture, integrated moisture convergence, and surface heat fluxes. These regional modifications of the environment impact the local diurnal cycle of convection, favoring the development of mesoscale convective systems. As a result, localized rainfall is also strongly modulated, with the majority of rainfall in the GOAmazon region occurring during the passage of these systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Dependence of Aerosol-Droplet Partitioning on Turbulence in a Laboratory Cloud

Activation is the first step in aerosol-cloud interactions, which have been identified as one of the principal uncertainties in Earth's climate system. Aerosol particles become cloud droplets, or activate, when the ambient saturation ratio exceeds a threshold, which depends on the particle's size and hygroscopicity. In the traditional formulation of the process, only average, uniform saturation ratios are considered. Furthermore, turbulent environments like clouds intrinsically have fluctuations around mean values in the scalar fields of temperature and water vapor concentration, which determine the saturation ratio. Through laboratory measurements, we show that these fluctuations are an important parameter that needs to be addressed to fully describe activation. Our results show, even for single-sized, chemically homogeneous aerosols, that fluctuations blur the correspondence between activation and a particle's size and chemical composition, that turbulence can increase the fraction of aerosol particles which activate, and that the activated fraction decreases monotonically as the concentration of aerosol increases. Taken together, our data demonstrate that fluctuations can have effects equivalent to the aerosol limited and updraft limited regimes, known from adiabatic parcel theory.

58 GEOSCIENCES↗
DOE OSTI2023

Seasonal Performance Characterization of a Gen3 Particle-Based Concentrating Solar Plant With a Spatially Resolved Transient Thermal Storage Model

Particle-based Gen3 Concentrating Solar Power (CSP) can be paired with high-temperature power cycles (>700 °C) and can have built-in long duration (≥10 hours) thermal energy storage if the working particles are stored properly in thermal energy storage bins. Although high-temperature and long-duration thermal energy storage can mitigate daily intermittencies in solar irradiation, seasonal variability in local meteorological conditions can still have a significant impact on the overall performance of CSP systems. Aside from daily cloud coverage affecting incident solar radiation, wind speed and ambient temperature are also significant variables regarding system heat attenuation, component efficiency, and overall solar conversion efficiency. In this work, we present simulation results for a Gen3 CSP prototype system in operation over four weeks throughout the year in Albuquerque, NM. The meteorological conditions are taken directly from the TMY3 data at the Albuquerque International Sunport, where the hourly Direct Normal Irradiation (DNI), wind speed, and ambient temperature are of particular interest. An investigation of the sensitivity of individual components like storage and ducting to the local meteorological conditions is provided and extended to the overall performance of the CSP system. The results from this study show that the particle inlet temperature at the particle-to-sCO2 heat exchanger can change as fast as 30 °C/min under standard operation in a passive mode.

Plewe, Kaden (ORCID:0000000286826879)↗