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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 1,423 records · Page 79
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Acceleration of Power System Dynamic Simulations Using a Deep Equilibrium Layer and Neural ODE Surrogate

The dominant paradigm for power system dynamic simulation is to build system-level simulations by combining physics-based models of individual components. The sheer size of the system along with the rapid integration of inverter-based resources exacerbates the computational burden of running time domain simulations. Here, in this paper, we propose a data-driven surrogate model based on implicit machine learningspecifically deep equilibrium layers and neural ordinary differential equationsto learn a reduced order model of a portion of the full underlying system. The data-driven surrogate achieves similar accuracy and reduction in simulation time compared to a physics-based surrogate, without the constraint of requiring detailed knowledge of the underlying dynamic models. This work also establishes key requirements needed to integrate the surrogate into existing simulation workflows; the proposed surrogate is initialized to a steady state operating point that matches the power flow solution by design.

Neural ordinary differential equations↗
DOE OSTI2024

Visualizing an Exascale Data Center Digital Twin: Considerations, Challenges and Opportunities

Digital twins are an excellent tool to model, visualize, and simulate complex systems, to understand and optimize their operation. In this work, we present the technical challenges of real-time visualization of a digital twin of the Frontier supercomputer.We show the initial prototype and current state of the twin and highlight technical design challenges of visualizing such a large High Performance Computing (HPC) system. The goal is to understand the use of augmented reality as a primary way to extract information and collaborate on digital twins of complex systems. This leverages the spatio-temporal aspect of a 3D representation of a digital twin, with the ability to view historical and real-time telemetry, triggering simulations of a system state and viewing the results, which can be augmented via dashboards for details. Finally, we discuss considerations and opportunities for augmented reality of digital twins of large-scale, parallel computers.

Maiterth, Matthias↗
DOE OSTI2022

Neutrino interaction measurements with the MicroBooNE and ArgoNeuT liquid argon time projection chambers

Abstract Precise modeling of neutrino interactions on argon is crucial for the success of future experiments such as the Deep Underground Neutrino Experiment (DUNE) and the Short-Baseline Neutrino (SBN) program, which will use liquid argon time projection chamber (LArTPC) technology. Argon is a large nucleus, and nuclear effects—both on the initial and final-state particles in the interaction—are expected to be large in neutrino–argon interactions. Therefore, measurements of neutrino scattering cross sections on argon will be of particular importance to future DUNE and SBN oscillation measurements. This article presents a review of neutrino–argon interaction measurements from the MicroBooNE and ArgoNeuT collaborations, using two LArTPC detectors that have collected data in the NuMI and Booster Neutrino Beams at Fermilab. Measurements are presented of charged-current muon neutrino scattering in the inclusive channel, the ‘0 $$\pi $$ π ’ channel (in which no pions but some number of protons may be produced), and single pion production (including production of both charged and neutral pions). Measurements of electron neutrino scattering are presented in the form of $$\nu _e+\bar{\nu }_e$$ ν e + ν ¯ e inclusive scattering cross sections.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Land–Atmosphere Coupling at the U.S. Southern Great Plains: A Comparison on Local Convective Regimes between ARM Observations, Reanalysis, and Climate Model Simulations

Using the 9-yr warm-season observations at the Atmospheric Radiation Measurement Southern Great Plains site, in this work we assess the land–atmosphere (LA) coupling in the North American Regional Reanalysis (NARR) and two climate models: hindcasts with the Community Atmosphere Model version 5.1 by Cloud-Associated Parameterizations Testbed (CAM5-CAPT) and nudged runs with the Energy Exascale Earth System Model Atmosphere Model version 1 Regionally Refined Model (EAMv1-RRM). We focus on three local convective regimes and diagnose model behaviors using the local coupling metrics. NARR agrees well with observations except a slightly warmer and drier surface with higher downwelling shortwave radiation and lower evaporative fraction. On clear-sky days, it shows warmer and drier early-morning conditions in both models with significant underestimates in surface evaporation by EAMv1-RRM. On the majority of the ARM-observed shallow cumulus days, there is no or little low-level clouds in either model. When captured in models, the simulated shallow cumulus shows much less cloud fraction and lower cloud bases than observed. On the days with late-afternoon deep convection, models tend to present a stable early-morning lower atmosphere more frequently than the observations, suggesting that the deep convection is triggered more often by elevated instabilities. Generally, CAM5-CAPT can reproduce the local LA coupling processes to some extent due to the constrained early-morning conditions and large-scale winds. EAMv1-RRM exhibits large precipitation deficits and warm and dry biases toward mid-to-late summers, which may be an amplification through a positive LA feedback among initial atmosphere and land states, convection triggering and large-scale circulations.

58 GEOSCIENCES↗
DOE OSTI2021

Learned implicit representations of aerosol chemistry and physics for enhancing the predictability of water cycle extreme events

Focal Area(s): Focal area 2: Predictive modeling through the use of AI-derived model components; and Focal area 3: physics-guided AI. Science Challenge: Comprehensive models of many geophysical processes require a large number of state variables, disqualifying them for inclusion in Earth System Models (ESMs) for the foreseeable future. This white paper proposes the paradigm shift from the use of state variables representing explicit physical quantities to the use of machine-learning to create and integrate a compact, implicit representation of a physical system with a smaller number of state variables. As an initial application, we propose to create parsimonious machine-learned surrogate models of gas- and aerosol-phase chemistry and physics with the purpose of improving the accuracy of the representation of cloud formation and cloud-aerosol interaction in the E3SM model. This type of improved representation of cloud microphysics is critical for enhancing the predictability of water cycle extremes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Machine-Learning-Assisted Hybrid Earth System Modelling

We propose a novel hybrid modeling approach that combines a physics-based, numerical model of the Earth system with a machine learning model. We also envision to integrate the hybrid model training with a data assimilation cycle, so that new observations update both the state estimate used as initial conditions and the machine learning model parameters.

58 GEOSCIENCES↗
DOE OSTI2022

In-Situ Pipeline Coatings for Methane Emissions Mitigation and Quantification from Natural Gas Pipelines

Addressing the current health of the nation’s existing 3 million miles of pipeline infrastructure is key to preventing further climate change. In 2020, natural gas production exceeded 34 trillion cubic feet (Tcf). Roughly 75% of natural gas consists of methane (CH 4 ), which is up to 25 times more powerful than carbon dioxide (CO 2 ) at trapping heat within the atmosphere over a 100-year period, and studies from the Environmental Defense Fund (EDF) estimate approximately 2% of all the natural gas produced will be lost during normal operations due to unaddressed leaks. This does not even consider the risks of major disaster due to pipeline failure, or the losses and extra fuel costs incurred due to corrosion and scale deposits in under-maintained pipelines. The objective of the proposed research is to demonstrate the protection capabilities and economic benefits of Oceanit’s internal pipe surface treatment, known as DragX™. DragX™ is a chemically resistant, water-and-oil repellent nanocomposite system that can be readily applied in-situ on natural gas transmission and distribution pipelines with a minimum of surface preparation. This makes it an ideal candidate for in-place retrofitting and refurbishment of existing pipelines without the need for expensive extraction and replacement. DragX™ is also able to significantly reduce the surface roughness, and subsequently, the frictional drag forces within a pipeline, improving throughput, decreasing energy costs of pressurization and pumping, and allowing for longer pipeline operation without interruption, reducing the methane emitted during pipe isolation and venting. As part of this project, Oceanit has utilized the Department of Energy’s support to fully develop, de-risk and prove the DragX™ core technology is both economically viable and commercially desirable to pipeline operators and energy companies alike. DragX™ material properties were optimized in this effort both for ease of applicability, to provide value in certain key parameters, and was demonstrated on pilot applications exceeding 2 miles in length. Beyond the already field demonstrated applications, this innovative nanocomposite surface treatment has the potential to be the backbone for CO 2 and Hydrogen transporting pipeline infrastructure. The learnings from this project could accelerate the deployment of surface treatment technologies related to the energy transition infrastructure, thus benefitting the clean energy initiatives in the United States and all around the world.

03 NATURAL GAS↗
DOE OSTI2020

Advancing Electric System Resilience with Distributed Energy Resources: Key Questions and Resources

This resource has two complementary parts: (1) A list of questions that offers an initial starting point for state public utility commissions (commissions) to frame how they review proposed utility investments and considerations that could offer resilience benefits; (2) A list of relevant resources to improve a regulator's ability to oversee resilience investments and obtain the best possible solutions for customers. The list of resources includes a synopsis of relevant topics covered in each resource. This document is not intended to offer a complete picture of resilience literature, but instead suggests strategies for state regulators to convene conversations and make decisions to achieve better resilience outcomes for customers. It is meant to serve as a starting point for commissions to understand and incorporate resilience into regulatory processes. The list of questions and resources will not be perfectly suited to the particular needs of each commission. As the resilience conversation advances, regulators will need to take advantage of available resources to build their capacity to assess resilience risks, compare investment options, and evaluate performance.

14 SOLAR ENERGY↗
DOE OSTI2021

Orbital Selectivity in Electron Correlations and Superconducting Pairing of Iron-Based Superconductors

Electron correlations play a central role in iron-based superconductors. In these systems, multiple Fe 3 d -orbitals are active in the low-energy physics, and they are not all degenerate. For these reasons, the role of orbital-selective correlations has been an active topic in the study of the iron-based systems. In this article, we survey the recent developments on the subject. For the normal state, we emphasize the orbital-selective Mott physics that has been extensively studied, especially in the iron chalcogenides, in the case of electron filling n ∼ 6 . In addition, the interplay between orbital selectivity and electronic nematicity is addressed. For the superconducting state, we summarize the initial ideas for orbital-selective pairing and discuss the recent explosive activities along this direction. We close with some perspectives on several emerging topics. These include the evolution of the orbital-selective correlations, magnetic and nematic orders, and superconductivity as the electron filling factor is reduced from 6 to 5, as well as the interplay between electron correlations and topological band structure in iron-based superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Study of the Synchrotron Photoionization Oxidation of Alpha-Angelica Lactone (AAL) Initiated by O( 3 P) at 298, 550, and 700 K

In recent years, biofuels have been receiving significant attention because of their potential for decreasing carbon emissions and providing a long-term renewable solution to unsustainable fossil fuels. Currently, lactones are some of the alternatives being produced. Many lactones occur in a range of natural substances and have many advantages over bioethanol. In this study, the oxidation of alpha-angelica lactone initiated by ground-state atomic oxygen, O( 3 P), was studied at 298, 550, and 700 K using synchrotron radiation coupled with multiplexed photoionization mass spectrometry at the Lawrence Berkeley National Lab (LBNL). Photoionization spectra and kinetic time traces were measured to identify the primary products. Ketene, acetaldehyde, methyl vinyl ketone, methylglyoxal, dimethyl glyoxal, and 5-methyl-2,4-furandione were characterized as major reaction products, with ketene being the most abundant at all three temperatures. Possible reaction pathways for the formation of the observed primary products were computed using the CBS–QB3 composite method.

09 BIOMASS FUELS↗
DOE OSTI2023

Efficient Application of the Factorized form of the Unitary Coupled-Cluster Ansatz for the Variational Quantum Eigensolver Algorithm by Using Linear Combination of Unitaries

The variational quantum eigensolver is one of the most promising algorithms for near-term quantum computers. It has the potential to solve quantum chemistry problems involving strongly correlated electrons with relatively low-depth circuits, which are otherwise difficult to solve on classical computers. The variational eigenstate is constructed from a number of factorized unitary coupled-cluster terms applied onto an initial (single-reference) state. Current algorithms for applying one of these operators to a quantum state require a number of operations that scale exponentially with the rank of the operator. We exploit a hidden SU(2) symmetry to allow us to employ the linear combination of unitaries approach, Our Prepare subroutine uses n+2 ancilla qubits for a rank-n operator. Our Select (U) scheme uses O(n) Cnot gates. This results in a full algorithm that scales like the cube of the rank of the operator n 3 , a significant reduction in complexity for rank five or higher operators. This approach, when combined with other algorithms for lower-rank operators (when compared to the standard implementation), will make the factorized form of the unitary coupled-cluster approach much more efficient to implement on all types of quantum computers.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1971

Inelastic transition densities

Inelastic scattering transition densities in single particle operator reduced matrix elements between initial and final nuclear states for nucleon angular momentum calculations

Braley, R. C.↗
NASA NTRS1972

Activity in galaxies and quasars.

Activity in galaxies and quasars is interpreted in terms of plasma processes occurring in the magnetosphere of a certain magnetoid model. This magnetoid comprises a core and an annulus rotating about a common axis with different angular velocities. The magnetic field linking the core to the annulus may begin in an initial current-free state but will be distorted along a sequence of force-free configurations. After a finite differential rotation, the force-free configuration has higher energy than a corresponding open-field configuration. It is conjectured that the transition from the closed configuration to an open configuration will be effected by an MHD eruptive instability, and that such eruptions lead to high-velocity clouds of cool gas identified with clouds producing absorption lines in quasars. It is proposed that minor instabilities of the current sheets are responsible for fluctuations in the nonthermal luminosity and for small-scale radio bursts sometimes observed in galaxies and quasars.

Sturrock, P. A.↗
NASA NTRS1972

An upper limit on the neutrino rest mass.

It is pointed out that the measurement of the deceleration parameter by Sandage (1972) implies an upper limit of a few tens of electron volts on the sum of the masses of all the possible light, stable particles that interact only weakly. In the discussion of the problem, it is assumed that the universe is expanding from an initially hot and condensed state as envisaged in the 'big-bang' theories.

Cowsik, R.↗
NASA NTRS1973

Pressure waves generated by steady flames.

Analysis of pressure waves that can be generated by clouds of explosive gas mixtures in a free atmosphere which is initially at a uniform state. The treatment is restricted only to the final stage of constant flame velocity when the flowfield is self-similar. By the introduction of reduced blast-wave parameters as phase-plane coordinates, the problem is resolved into the determination of the appropriate integral curves on this plane. Results, including space profiles of gasdynamic parameters, have been computed for a specific case of a hydrocarbon-air mixture characterized by a specific heat ratio of 1.3, sound speed at NTP of 345 m/sec, and volumetric expansion ratio corresponding to constant pressure deflagration of 7. Maximum overpressure ratios that can be generated by such flames in point-and line-symmetrical waves range from .00053, for the lower bound in the burning speed, up to 6 for the deflagration, while, for the average speeds of 5 to 10 m/sec, they are at a level of 0.05 to 0.10.

Kuhl, A. L.↗
NASA NTRS1975

Asymptotic form of the charge exchange cross section in the three body rearrangement collisions

A three body general rearrangement collision is considered where the initial and final bound states are described by the hydrogen-like wave functions. Mathematical models are developed to establish the relationships of quantum number, the reduced mass, and the nuclear charge of the final state. It is shown that for the low lying levels, the reciprocal of n cubed scaling law at all incident energies is only approximately satisfied. The case of the symmetric collisions is considered and it is shown that for high n and high incident energy, E, the cross section behaves as the reciprocal of E cubed. Zeros and minima in the differential cross sections in the limit of high n for protons on atomic hydrogen and positrons on atomic hydrogen are given.

Omidvar, K.↗
NASA NTRS1975

Asymptotic form of the charge-exchange cross section in three-body rearrangement collisions

A three-body general-type rearrangement collision is considered in which the initial and final bound states are described by hydrogen-like wave functions. It is shown that the charge-exchange amplitude in the first Born approximation can be expanded at all incident energies in terms of the inverse powers of the principal quantum number (n). By expanding the exchange amplitude in this way, it is demonstrated conclusively that the cross section for capture into the s, p, and d states as well as for the sum over all the angular-momentum states is proportional to 1/n-cubed plus terms proportional to higher inverse odd powers of n. It is found that the low-lying levels cannot be scaled to the 1/n-cubed law irrespective of the value of the incident energy except in the case of capture into the s states in accordance with the Oppenheimer-Brinkman-Kramers approximation. Zeros and minima in the differential cross sections are given in the limit of high principal quantum number for electron capture by protons from atomic hydrogen and for positronium formation by proton-atomic hydrogen collisions.

Omidvar, K.↗
NASA NTRS1981

Liquid spray cooling of a heated surface

The lowest surface temperature possible for the existance of spray evaporative cooling is determined experimentally to be a linear function of the impinging spray mass flux. A conduction-controlled analytical model of droplet evaporation gives fairly good agreement with experimental measurements at atmospheric pressure. At reduced pressures droplet evaporation rates are decreased significantly such that an optimum operating pressure exists for each desired surface heat flux. The initiation of the 'Leidenfrost state' provides the upper surface temperature bound for spray evaporative cooling.

Grissom, W. M.↗