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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

An Aromatic Universe–A Physical Chemistry Perspective

This Perspective presents recent advances in our knowledge of the fundamental elementary mechanisms involved in the low- and high-temperature molecular mass growth processes to polycyclic aromatic hydrocarbons in combustion systems and in extraterrestrial environments (hydrocarbon-rich atmospheres of planets and their moons, cold molecular clouds, circumstellar envelopes). Molecular beam studies combined with electronic structure calculations extracted five key elementary mechanisms: Hydrogen Abstraction – Acetylene Addition, Hydrogen Abstraction – Vinylacetylene Addition, Phenyl Addition – DehydroCyclization, Radical-Radical Reactions, and Methylidyne Addition – Cyclization – Aromatization. Furthermore, these studies, summarized here, provide compelling evidence that key classes of aromatic molecules can be synthesized in extreme environments covering low temperatures in molecular clouds (10 K) and hydrocarbon-rich atmospheres of planets and their moons (35–150 K) to high temperature environments like circumstellar envelopes of carbon rich Asymptotic Giant Branch Stars stars and combustion systems at temperatures above 1,400 K thus shedding light on the aromatic universe we live in.

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

Neutrino charge radius and additional one-loop radiative corrections at ultranear reactor experiments

We scrutinize the potential of upcoming ultranear reactor neutrino experiments to detect radiative corrections in the elastic neutrino-electron scattering channel, focusing on the JUNO-TAO and CLOUD detectors, which employ advanced scintillator detection technologies. Previous reactor experiments have already constrained the electron neutrino charge radius, which is a neutrino property associated with a certain subset of the total radiative corrections, and have achieved limits that are only about an order of magnitude away from the Standard Model prediction. Our study demonstrates that JUNO-TAO and CLOUD could discover the neutrino charge radius in the near future, considering the established treatment of the charge radius. However, we show that it is necessary to go beyond this standard treatment. By including the complete set of one-loop level radiative corrections, we find a partial cancellation with the charge radius effect, reducing the experimental sensitivity to this quantity. Nevertheless, JUNO-TAO and CLOUD still have the potential to achieve a 5 σ discovery but over longer timescales within a reasonable operational time frame. Published by the American Physical Society 2024

Brdar, Vedran (ORCID:0000000170275104)↗
DOE OSTI2023

Oddities in Lightning Measurements from Space Reveal Extreme Flashes and Thunderstorms [Slides]

Space-based sensors are well-suited for detecting intracloud (IC) and Cloud to Ground (CG) lightning over large swaths of the Earth. Current sensors also measure the signals generated by lightning that contain information about the physical discharge process and the radiative transfer effects they experience on their path to orbit. Long records of orbital lightning data reveal rare and exceptional lightning signals push the boundaries of what the sensors are designed to measure and our understanding of what lightning and thunderstorms are capable of. Space-based sensors have revealed long-horizontal “megaflashes,” highly radiant “superbolts,” extremely high flash rate thunderstorms, and more.

58 GEOSCIENCES↗
DOE OSTI2021

Electronic Origin of T c in Bulk and Monolayer FeSe

FeSe is classed as a Hund’s metal, with a multiplicity of d bands near the Fermi level. Correlations in Hund’s metals mostly originate from the exchange parameter J, which can drive a strong orbital selectivity in the correlations. The Fe-chalcogens are the most strongly correlated of the Fe-based superconductors, with d xy the most correlated orbital. Yet little is understood whether and how such correlations directly affect the superconducting instability in Hund’s systems. By applying a recently developed ab initio theory, we show explicitly the connections between correlations in d xy and the superconducting critical temperature T c . Starting from the ab initio results as a reference, we consider various kinds of excursions in parameter space around the reference to determine what controls T c . We show small excursions in J can cause colossal changes in T c . Additionally we consider changes in hopping by varying the Fe-Se bond length in bulk, in the free standing monolayer M-FeSe, and M-FeSe on a SrTiO 3 substrate (M-FeSe/STO). The twin conditions of proximity of the dxy state to the Fermi energy, and the strength of J emerge as the primary criteria for incoherent spectral response and enhanced single- and two-particle scattering that in turn controls T c . Using c-RPA, we show further that FeSe in monolayer form (M-FeSe) provides a natural mechanism to enhance J. We explain why M-FeSe/STO has a high T c , whereas M-FeSe in isolation should not. Our study opens a paradigm for a unified understanding what controls Tc in bulk, layers, and interfaces of Hund’s metals by hole pocket and electron screening cloud engineering.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Emulator of PR‐DNS: Accelerating Dynamical Fields With Neural Operators in Particle‐Resolved Direct Numerical Simulation

Abstract Particle‐resolved direct numerical simulations (PR‐DNS) play an increasing role in investigating aerosol‐cloud‐turbulence interactions at the most fundamental level of processes. However, the high computational cost associated with high resolution simulations poses considerable challenges for large domain or long duration simulation using PR‐DNS. To address these issues, here we present an emulator of the complex physics‐based PR‐DNS developed by use of the data‐driven Fourier Neural Operator (FNO) method. The effectiveness of the method is showcased by presenting turbulence and temperature fields in a two‐dimensional space. The results demonstrate high accuracy at various resolutions and the emulator is two orders of magnitude cheaper in terms of computational demand compared to the physics‐based PR‐DNS model. Furthermore, the FNO emulator exhibits strong generalization capabilities for different initial conditions and ultra‐high‐resolution without the need to retrain models. These findings highlight the potential of the FNO method as a promising tool to simulate complex fluid dynamics problems with high accuracy, computational efficiency, and generalization capabilities, enhancing our understanding of the aerosol‐cloud‐precipitation system.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2021

Comments on 'Do ultrafine cloud condensation nuclei invigorate deep convection?'

Here we elaborated on the deficiencies associated with the theoretical arguments and model simulations in Grawbowski and Morrison (2020; GM20), and showed that the concept of convective invigoration by aerosols can be supported by both accurate theoretical analysis and explicit physics modeling with prognostic aerosols and supersaturation. Above the freezing level, droplet freezing itself does not change mass loading and the latent heat release resulting from freezing leads to an increase in the buoyancy. The derivation in GM20 is erroneous because of omitting the liquid water sink term. They also ignored the effect of enhanced latent heating from the subsequent growth processes (deposition and riming) after freezing. Regarding aerosol effect on condensational growth, the quasi-steady assumption for supersaturation as adopted in GM20 is invalidated especially when droplet number concentration is low and updraft is strong from both theoretical analysis and our bin microphysics modeling results. The quasi-steady assumption makes condensation independent of droplet number and size and therefore reduces the overall aerosol effects on cloud dynamics. Studying aerosol effects on clouds particularly deep convective clouds requires the exact solution of supersaturation. Any assumption imposed to supersaturation such as saturation adjustment and quasi-steady approximation leads to incorrect aerosol effects on diffusional growth. The exact supersaturation equation clearly shows that condensation depends on droplet number and size, and more droplets in the polluted clouds increase condensation (thus lower supersaturation), leading to enhanced buoyancy and updraft speeds.

Convective invigoration, deep convective clouds, a↗
DOE OSTI2024

Preserving Tracer Correlations in Moment-Based Atmospheric Transport Models

A linear non-diffusive algorithm for advective transport is developed that greatly improves the detail at which aerosols and clouds can be represented in atmospheric models. Linear advection schemes preserve tracer correlations but the most basic linear scheme is rarely used by atmospheric modelers on account of its excessive numerical diffusion. Higher-order schemes are in widespread use, but these present new problems as nonlinear adjustments are required to avoid occurrences of negative concentrations, spurious oscillations, and other non-physical effects. Generally successful at reducing numerical diffusion during the advection of individual tracers, for example, particle number or mass, the higher-order schemes fail to preserve even the simplest of correlations between interrelated tracers. As a result, important attributes of aerosol and cloud populations including radial moments of particle size distributions, molecular precursors related through chemical equilibria, aerosol mixing state, and distribution of cloud phase are poorly represented. We introduce a new transport scheme, minVAR, that is both non-diffusive and preservative of tracer correlations, thereby combining the best features of the basic and higher-order schemes while enabling new features such as the tracking of sub-grid information at arbitrarily fine scales with high computational efficiency.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Surface‐Atmosphere Decoupling Prolongs Cloud Lifetime Under Warm Advection Due To Reduced Entrainment Drying

Abstract An initially well‐mixed stratocumulus deck can remain overcast for several tens of hours under warm‐advection conditions, although moisture supply is cut off from the ocean due to surface‐atmosphere decoupling (stabilization of the surface‐atmosphere interface). In this study, a set of idealized large‐eddy simulations were performed to investigate the physical mechanism of how warm‐air advection impacts the evolution of a pre‐existing stratocumulus deck. To mimic warm‐air advection, we decrease the sea surface temperature linearly over time in a doubly periodic domain. Given the same initial conditions, the stratocumulus deck is more persistent when experiencing warm‐air advection than cold‐air advection. This persistence is caused by reduced cloud‐top entrainment drying due to decoupling, a process more influential than the decoupling‐induced cutoff of moisture supply. This mechanism is more notable when the free troposphere becomes more humid. The relevance of the mechanism to previous observations of less low‐level cloudiness under warm‐advection conditions is discussed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Using Pilot Jobs and CernVM File System for Simplified Use of Containers and Software Distribution

High Energy Physics (HEP) experiments entail an abundance of computing resources, i.e. sites, to run simulations and analyses by processing data. This requirement is fulfilled by local batch farms, grid sites, private/commercial clouds, and supercomputing centers via High Throughput Computing (HTC). The growing needs of such experiments and resources being prone to trends of heterogeneity make it difficult for physicists to handle these resources directly. Additionally, HEP collaborations heavily rely on data and software releases, typically in the order of tens of gigabytes, while conducting simulations and analyses. Hence, aspects of scalability, reliability, and maintenance become crucial with regards to the distribution of the necessary data and software stack. The GlideinWMS [4] framework helps with the resource management problem by using pilot jobs, aka Glideins, to provision reliable elastic virtual clusters. Glideins are submitted to unreliable heterogeneous resources which are validated and customized by the Glideins to make the worker nodes available for end-user job execution. On the other hand, the CernVM File System (CernVM-FS or CVMFS) [1] helps with data distribution. It is a write-once, read-everywhere filesystem used to deploy scientific software to thousands of nodes on a worldwide distributed computing infrastructure. CVMFS is based on the Hyper Text Transfer Protocol and has been widely used within the particle physics community for (1) distributing experiment software and data such as calibrations, and (2) facilitating containerization by efficiently hosting container images along with providing containerization software, especially Singularity [3] GlideinWMS relies on CVMFS installed locally on the computing resources to satisfy the experiments' software needs. This requires system administrators' effort to install and maintain CVMFS at the sites and limits the use of sites, especially HPC resources, that do not have CVMFS installed. This poster presents a solution, taking advantage of Glideins to provide CVMFS at most sites without the need for a local installation. Doing so expands the pool of resources available for HEP experiments and reduces the effort of system administrators for current resources. Additionally, the proposed solution allows GlideinWMS to also start Singularity [3], a containerization software that can run unprivileged, on sites where neither CVMFS nor Singularity are available, including HPC sites. The benefits provided by this solution are: (1) lower overhead for site administrators in that they have less software to install, (2) an expanded pool of resources that run user jobs with easy access to software and data provided by CVMFS, thus making life easier for the scientists, and (3) improved flexibility to use HPC resources by enabling GlideinWMS pilot jobs to support HPC sites.

Urs, Namratha↗
DOE OSTI2023

Cloud and microjet mix: A possible source of yield limitation of the National Ignition Facility targets

The National Ignition Facility (NIF) megajoule laser at the Lawrence Livermore National Laboratory (LLNL) has produced a significant amount of useful physics results related to inertial confinement fusion since it began operating in 2010. However, the achievement of its primary goal of generating ignition in a thermonuclear plasma has proven elusive, and measured yields were far below those expected under ideal illumination and target structure conditions. The reason for the limited yields has not been explained in detail. Here, this work proposes and shows support for the possibility that the low yields may be, at least partly, the result of ejecta from the interior of the target containment and driving shell.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Real-Time Hardware-in-the-Loop Distributed Energy Resources System Testbed using IEEE 2030.5 Standard

IEEE 2030.5 standard is drawing special attention among communication protocols for smart inverters and distributed energy resources (DER). Moreover, California Rule 21 mandates new DER must be ready to communicate to a host utility using the IEEE 2030.5 standard. Therefore, development of an effective real-time simulation method for managing DER using IEEE 2030.5 network is crucial. This paper presents a real-time hardware-in-the-loop (HIL) DER system testbed using the IEEE 2030.5 standard. The proposed real-time co-simulation testbed consists of a DER physical system simulation using OP AL-RT real-time simulator and a cyber system simulation including DER gateways and a DER management system (DERMS) cloud server. Custom-built client and server programs are developed to meet the compliant with IEEE 2030.5-2018 standard and implemented in the DER gateways and a DERMS server, respectively. Furthermore, the feasibility of the proposed testbed for DER systems is validated by experiments.

42 ENGINEERING↗
DOE OSTI2026

Polar primary aerosols across the ocean-sea ice-snow-atmosphere interface: From sources to impacts

Primary aerosols play a critical role in polar climate systems, influencing cloud formation, precipitation, radiative balance, and surface energy budgets. This paper provides a comprehensive synthesis of primary aerosol sources, transformation and removal processes, and broader atmospheric impacts in polar regions, emphasizing their links to ocean and sea ice biogeochemistry. These aerosols (including sea salt, primary organic aerosol, and primary biological aerosol particles) originate from marine and cryospheric environments and are emitted through physical processes, such as wave breaking, bubble bursting, and blowing snow. Emission sources include seawater, sea ice, snow, and freshwater from river discharge and glacial runoff. Once airborne, these particles can serve as a chemical reservoir, influencing atmospheric composition and reactivity, and as seeds for cloud droplet and ice crystal formation, influencing cloud microphysics and polar climate. Despite their importance, many of the processes governing primary aerosol emissions and transformations remain poorly constrained. The most pressing knowledge gaps pertain to emission processes, limited spatiotemporal observational coverage, instrumentation constraints, parameterization development, and the integration of interdisciplinary expertise. To improve our understanding of primary aerosol drivers and their response to climate, future research efforts should prioritize strategically coordinated and cross-disciplinary process studies, advancements in measurement technologies and coverage, and close collaboration between modelers and observational scientists to inform and refine model parameterizations. As polar regions continue to undergo profound changes marked by increased precipitation, reduced sea and land ice, freshening oceans, and shifting ecosystem dynamics, characterizing present-day primary aerosol populations is vital. Improved understanding will be essential for anticipating future changes in aerosol-radiation and aerosol-cloud interactions and their implications for polar and global climate systems.

Aerosol-cloud↗
DOE OSTI2021

Using radar observations to evaluate 3-D radar echo structure simulated by the Energy Exascale Earth System Model (E3SM) version 1

Abstract. The Energy Exascale Earth System Model (E3SM) developed by the Department of Energy has a goal of addressing challenges in understanding the global water cycle. Success depends on correct simulation of cloud and precipitation elements. However, lack of appropriate evaluation metrics has hindered the accurate representation of these elements in general circulation models. We derive metrics from the three-dimensional data of the ground-based Next-Generation Radar (NEXRAD) network over the US to evaluate both horizontal and vertical structures of precipitation elements. We coarsened the resolution of the radar observations to be consistent with the model resolution and improved the coupling of the Cloud Feedback Model Intercomparison Project Observation Simulator Package (COSP) and E3SM Atmospheric Model Version 1 (EAMv1) to obtain the best possible model output for comparison with the observations. Three warm seasons (2014–2016) of EAMv1 simulations of 3-D radar reflectivity features at an hourly scale are evaluated. A general agreement in domain-mean radar reflectivity intensity is found between EAMv1 and NEXRAD below 4 km altitude; however, the model underestimates reflectivity over the central US, which suggests that the model does not capture the mesoscale convective systems that produce much of the precipitation in that region. The shape of the model-estimated histogram of subgrid-scale reflectivity is improved by correcting the microphysical assumptions in COSP. Different from previous studies that evaluated modeled cloud top height, we find the model severely underestimates radar reflectivity at upper levels – the simulated echo top height is about 5 km lower than in observations – and this result is not changed by tuning any single physics parameter. For more accurate model evaluation, a higher-order consistency between the COSP and the host model is warranted in future studies.

58 GEOSCIENCES↗
DOE OSTI2022

Cross Inference of Throughput Profiles Using Micro Kernel Network Method

Dedicated network connections are being increasingly deployed in cloud, centralized and edge computing and data infrastructures, whose throughput profiles are critical indicators of the underlying data transfer performance. Due to the cost and disruptions to physical infrastructures, network emulators, such as Mininet, are often used to generate measurements needed to estimate throughput profiles, typically expressed as a function of the connection round trip time. The profiles estimated using measurements from such emulated networks are usually inaccurate for high bandwidth and high latency connections, since they do not accurately reflect the critical network transport dynamics mainly due to computing and memory constraints of the host. We present a machine learning (ML) method to estimate the throughput profiles using emulation measurements to closely match the testbed and production network profiles. In particular, we propose a micro Kernel Network (mKN) that provides baseline throughput measurements on the host running Mininet emulations, which are used to learn a regression map that converts them to the corresponding testbed measurement estimates. Once initially learned, this map is applied to measurements from subsequent network emulations on the same host. We present experimental measurements to illustrate this approach, and derive generalization equations for the proposed mKN-ML method. Using a four-site scenario emulation, we show the effectiveness of this method in providing accurate concave throughput profiles from inaccurate convex or non-smooth ones indicated by Mininet emulation.

Rao, Nageswara↗
DOE OSTI2024

Scale-Up Studies for the Dehydration of C 4+ Alcohols into Drop-In Diesel Fuel

Herein, we demonstrate the production of liter quantities of drop-in diesel-range ethers from biomass-derived alcohols. We report scale-up resultsfor the dehydration of a mixture of C 4+ alcohols using powder and pellet zeolite Ycatalyst in continuous flow and batch reactors. The activity of zeolite Y decreaseswith the introduction of an alumina binder. Large alcohols, as well as branchedand secondary alcohols, increase the coke content over the pellet Y catalyst. Thepellet formulation had lower carbon balances and selectivity to C 10+ ethers,suggesting that the pellet formulation increases alcohol absorption and cokeproduction. Crushing the pellet Y catalyst to smaller particle sizes does notrecover the activity of zeolite Y in its powder form. Cold flow experiments showthat particle agglomeration contributes to pressure buildup in the continuous flowreactor. C 10+ ether blends can be produced in batch reactors at high alcohol conversion regimes. One liter of a diesel #2 blend wasproduced by scaling up this reaction. The final blend consists of a substantial portion of C 10+ ethers (63.7 wt %), followed by heavyunknown products (27.4 wt %). Furthermore, the final alcohol and butyl ether concentration values were 7.3 and 1.5 wt %, respectively. Theblendstock reported in this paper can satisfy diesel #2 ASTM standards for density, cloud point, flashpoint, and cetane number.

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

Cybersecurity Platform and Certification Framework Development for Extreme Fast Charging (XFC)-Integrated Charging Ecosystem (Final Project Report)

This report summarizes a pioneering effort in Electric Vehicle charging infrastructure ecosystem cybersecurity requirements, assessment methodologies, functional verification, as well as embodiment of the key technologies in the form of hardware and software tools being made available to the public. EPRI led a team of experts, as well as a stakeholder coalition encompassing all key actors in the EV charging infrastructure ecosystem that includes eXtreme Fast Charging (XFC) equipment (defined as 200kW or above). EV charging infrastructure in the United States is a patchwork of networks that have continued to grow organically and have been designed to serve the charging needs of the EV owners, who are their customers. In doing so, each network provider, as well as their connected entities such as the cloud Electric Vehicle Service Providers or EVSPs, utility back office, utility AMI networks, payment networks, as well as Original Equipment Manufacturer (EV manufacturer) telematics networks, have designed systems that may work well individually, but no single entity is responsible for the entire ecosystem to be secure in terms of data exchange. Furthermore, there is no uniformity in how each actor has implemented the cybersecurity requirements since no system-wide cybersecurity requirements existed prior to this project. The final project report describes the technical approach guided by the EV charging infrastructure cybersecurity working group, convened specifically for this project. The technical approach included definition of requirements at the ecosystem level, treated as a ‘system of systems’, and then passed down to individual systems (EVSE, EV, cloud EVSP, utility, and the payment networks), followed by developing the cybersecurity risk and vulnerability assessment methods, that were later applied to real-world cyber-physical systems at EPRI, ANL, and NREL laboratories, to validate both the process and the results. Finally, in a spotlight over the most vulnerable equipment, which is the EV charge station (AC or DC), the team developed a multi-layer cybersecurity implementation in the embedded domain embodied by the open-source Secure Network Interface Card (SNIC) demonstrating the various ways in which the infrastructure can be secured protecting against the identified attack surfaces. Finally, the entire process of EV infrastructure cybersecurity assessment was encapsulated in the Electric Vehicle Charging Cybersecurity Management (EVC2M) online GUI-based tool, that is expected to be released to the public. The report presents the objectives, the technical approach, the key results, and recommendations for future work.

24 POWER TRANSMISSION AND DISTRIBUTION↗