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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 415 records · Page 23

Hierarchical Optimal Power Flow with Improved Gradient Evaluation

Existing algorithms to solve alternating-current optimal power flow (AC-OPF) often exploit linear approximations to simplify system models and accelerate computations. In this paper, we improve a recent hierarchical OPF algorithm, which rested on primal-dual gradients evaluated in a linearized distribution power flow model. Specifically, we identify a risk of voltage violation arising from the model linearization, and propose a more accurate gradient evaluation method to eliminate that risk. We further develop a hierarchical primal-dual algorithm to solve OPF based on the proposed gradient evaluation method. Numerical results on IEEE networks show that our algorithm can enhance voltage safety with satisfactory computational efficiency.

distributed algorithm↗

FY2019 Energy Efficient Mobility Systems Annual Progress Report

EEMS Program activities during FY 2019 focused on analytical research to understand the impacts that new mobility technologies and services will have at the vehicle, traveler, and overall transportation system-level. This research included the development of vehicle and transportation system simulation models and tools to evaluate the complex interactions among the various actors within the mobility landscape, analysis of empirical data to characterize which solutions may provide the largest benefits, and development of new control systems and algorithms that use vehicle connectivity and automation to improve the performance and efficiency of individual vehicles as well as the overall traffic system. This document presents a brief overview of the EEMS Program and documents progress and results for projects within four of the five EEMS activity areas: (1) the SMART (Systems and Modeling for Accelerated Research in Transportation) Mobility Lab Consortium, (2) High Performance Computing and Big Data Solutions for Mobility Data, (3) Advanced R&D Projects conducted by industry and academia, and (4) Core Modeling, Simulation, and Evaluation, Similarly, the remaining EEMS activity area – (5) Living Labs (managed under VTO’s Technology Integration Program). Each of the individual progress reports provide a project overview and highlights of the technical results.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

The acceleration of winds by MHD waves in open magnetic structures

It has become increasingly clear in recent years that the available models describing the acceleration of high speed streams in solar coronal holes are inadequate. Thermal models do not result in winds with the proper thermal speed and density. In addition models which assume acceleration by Alfven waves, though promising, are not self-consistent when applied low in coronal holes where the acceleration of the wind takes place. An Alfven wave in the corona with a period of a few hundred seconds will have a wavelength of the order of 10 cm. This is of the order of the diameter of a coronal hole in the low corona, and therefore it is expected that the MHD waves are guided in some sense by the coronal hole in which they propagate. This basic idea led to the development of a leaky waveguide theory to describe MHD wave propagation in coronal holes. Recent efforts were concentrated in two areas: the development of numerical codes to properly describe the hydrodynamics of the flow, and more realistic models of the coronal hole properties such as density gradients and spherical divergence of the flux tube. Some of the important aspects of the theory are discussed, including the effect of density inhomogeneities and smooth transverse density gradients. In addition it is hoped that some early results from the numerical models will be presented. The acceleration of cool winds is a problem of interest in cool supergiants also. Some work was done on the development of wind models for these stars as well.

Davila, Joseph M.↗

Beam delivery and beamstrahlung considerations for ultra-high energy linear colliders

As part of the Snowmass'21 community planning excercise, the Advanced Accelerator Concepts (AAC) community proposed future linear colliders with center-of-mass energies up to 15 TeV and luminosities up to 50 × 1034 cm -2 s -1 in a compact footprint. In addition to being compact, these machines must also be energy efficient. We identify two challenges that must be addressed in the design of these machines. First, the Beam Delivery System (BDS) must not add significant length to the accelerator complex. Second, beam parameters must be chosen to mitigate beamstrahlung effects and maximize the luminosity-per-power of the machine. In this paper, we review advances in plasma lens technology that will help to reduce the length of the BDS system, and we detail new Particle-in-Cell simulation studies that will provide insight into beamstrahlung mitigation techniques. We apply our analysis to both $e$ + $e$ - and $γγ$ colliders. The challenges and solutions described in this paper are considered independently. In conclusion, a unified, self-consistent concept for a BDS system for a 15 TeV linear collider will be the subject of future work.

47 OTHER INSTRUMENTATION↗

A Multireference Approach to Electron and Electron–Nuclear Dynamics in Nanomaterials (Final Report)

Many important chemical and physical phenomena involve dynamics on large number of electronic states. Thus, there is a critical need to develop methods to simulate dynamics in dense manifolds of states. Towards this end, we have: a) developed the multiple cloning in dense manifolds of states (MCDMS) method, which is capable of accurately modeling the quantum mechanical coherence between populations on a large number of electronic states, b) implemented MCDMS into the free, open-source PySpawn software package, c) developed graphics processing unit-accelerated algorithms modeling electron dynamics in light fields via Floquet time-dependent configuration interaction (F-TDCI), and d) critically compared different orbital bases in order to achieve an accurate and efficient F-TDCI expansion. This grant ended in August 2020, when our group moved to from Michigan State University to Stony Brook University, where this project continues under grant number DE-SC0021643.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Radiation, Interplanetary Shocks, and Coronal Sources (RISCS) Toolset

We outline a plan to develop a physics based predictive toolset RISCS to describe the interplanetary energetic particle and radiation environment throughout the inner heliosphere, including at the Earth. To forecast and "nowcast" the radiation environment requires the fusing of three components: 1) the ability to provide probabilities for incipient solar activity; 2) the use of these probabilities and daily coronal and solar wind observations to model the 3D spatial and temporal heliosphere, including magnetic field structure and transients, within 10 AU; and 3) the ability to model the acceleration and transport of energetic particles based on current and anticipated coronal and heliospheric conditions. We describe how to address 1) - 3) based on our existing, well developed, and validated codes and models. The goal of RISCS toolset is to provide an operational forecast and "nowcast" capability that will a) predict solar energetic particle (SEP) intensities; b) spectra for protons and heavy ions; c) predict maximum energies and their duration; d) SEP composition; e) cosmic ray intensities, and f) plasma parameters, including shock arrival times, strength and obliquity at any given heliospheric location and time. The toolset would have a 72 hour predicative capability, with associated probabilistic bounds, that would be updated hourly thereafter to improve the predicted event(s) and reduce the associated probability bounds. The RISCS toolset would be highly adaptable and portable, capable of running on a variety of platforms to accommodate various operational needs and requirements.

Zank, G. P.↗

Development and Transition of the Radiation, Interplanetary Shocks, and Coronal Sources (RISCS) Toolset

We outline a plan to develop and transition a physics based predictive toolset called The Radiation, Interplanetary Shocks, and Coronal Sources (RISCS) to describe the interplanetary energetic particle and radiation environment throughout the inner heliosphere, including at the Earth. To forecast and "nowcast" the radiation environment requires the fusing of three components: 1) the ability to provide probabilities for incipient solar activity; 2) the use of these probabilities and daily coronal and solar wind observations to model the 3D spatial and temporal heliosphere, including magnetic field structure and transients, within 10 Astronomical Units; and 3) the ability to model the acceleration and transport of energetic particles based on current and anticipated coronal and heliospheric conditions. We describe how to address 1) - 3) based on our existing, well developed, and validated codes and models. The goal of RISCS toolset is to provide an operational forecast and "nowcast" capability that will a) predict solar energetic particle (SEP) intensities; b) spectra for protons and heavy ions; c) predict maximum energies and their duration; d) SEP composition; e) cosmic ray intensities, and f) plasma parameters, including shock arrival times, strength and obliquity at any given heliospheric location and time. The toolset would have a 72 hour predicative capability, with associated probabilistic bounds, that would be updated hourly thereafter to improve the predicted event(s) and reduce the associated probability bounds. The RISCS toolset would be highly adaptable and portable, capable of running on a variety of platforms to accommodate various operational needs and requirements. The described transition plan is based on a well established approach developed in the Earth Science discipline that ensures that the customer has a tool that meets their needs

Spann, James F.↗

Calculating Nozzle Side Loads using Acceleration Measurements of Test-Based Models

As part of a NASA/MSFC research program to evaluate the effect of different nozzle contours on the well-known but poorly characterized "side load" phenomena, we attempt to back out the net force on a sub-scale nozzle during cold-flow testing using acceleration measurements. Because modeling the test facility dynamics is problematic, new techniques for creating a "pseudo-model" of the facility and nozzle directly from modal test results are applied. Extensive verification procedures were undertaken, resulting in a loading scale factor necessary for agreement between test and model based frequency response functions. Side loads are then obtained by applying a wide-band random load onto the system model, obtaining nozzle response PSD's, and iterating both the amplitude and frequency of the input until a good comparison of the response with the measured response PSD for a specific time point is obtained. The final calculated loading can be used to compare different nozzle profiles for assessment during rocket engine nozzle development and as a basis for accurate design of the nozzle and engine structure to withstand these loads. The techniques applied within this procedure have extensive applicability to timely and accurate characterization of all test fixtures used for modal test.A viewgraph presentation on a model-test based pseudo-model used to calculate side loads on rocket engine nozzles is included. The topics include: 1) Side Loads in Rocket Nozzles; 2) Present Side Loads Research at NASA/MSFC; 3) Structural Dynamic Model Generation; 4) Pseudo-Model Generation; 5) Implementation; 6) Calibration of Pseudo-Model Response; 7) Pseudo-Model Response Verification; 8) Inverse Force Determination; 9) Results; and 10) Recent Work.

Brown, Andrew M.↗

A Comprehensive Chemistry Evaluation and Diagnostics Package for E3SM – ChemDyg Version 1.1.0

The Chemistry Evaluation and Diagnostics Package (ChemDyg) is an open-source tool designed for the Energy Exascale Earth System Model (E3SM) developed by the U.S. Department of Energy. ChemDyg facilitates routine evaluation, tailored development, and in-depth analysis of atmospheric chemistry through its modular architecture, allowing users to compare model outputs with observational data. Version 1.1.0 introduces a robust set of diagnostic capabilities, including climatology, time evolution of key tracers, diurnal and annual cycle analyses, and extensive budget diagnostics. These features help identify model discrepancies and enhance the representation of atmospheric chemistry in E3SM. Each self-contained diagnostic set includes dedicated scripts and documentation for ease of use. The interactive HTML output improves data accessibility, accelerating chemistry model development. Additionally, ChemDyg's flexible framework allows for customization, enabling users to create unique diagnostic sets for specific scientific contributions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Accelerating Radiation Computations for Dynamical Models With Targeted Machine Learning and Code Optimization

Abstract Atmospheric radiation is the main driver of weather and climate, yet due to a complicated absorption spectrum, the precise treatment of radiative transfer in numerical weather and climate models is computationally unfeasible. Radiation parameterizations need to maximize computational efficiency as well as accuracy, and for predicting the future climate many greenhouse gases need to be included. In this work, neural networks (NNs) were developed to replace the gas optics computations in a modern radiation scheme (RTE+RRTMGP) by using carefully constructed models and training data. The NNs, implemented in Fortran and utilizing BLAS for batched inference, are faster by a factor of 1–6, depending on the software and hardware platforms. We combined the accelerated gas optics with a refactored radiative transfer solver, resulting in clear‐sky longwave (shortwave) fluxes being 3.5 (1.8) faster to compute on an Intel platform. The accuracy, evaluated with benchmark line‐by‐line computations across a large range of atmospheric conditions, is very similar to the original scheme with errors in heating rates and top‐of‐atmosphere radiative forcings typically below 0.1 K day −1 and 0.5 W m −2 , respectively. These results show that targeted machine learning, code restructuring techniques, and the use of numerical libraries can yield material gains in efficiency while retaining accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Detonation to Deflagration-Mode Transitions in Pulsed Plasma Accelerators

PULSED plasma accelerators typically operate by storing energy in a capacitor bank and then discharging this energy through a gas. The current in such discharges will ionize the gas and produce a strong magnetic field, which interacts with the flowing current to accelerate the plasma through the Lorentz body force. For the present work, two plasma accelerator types employing this general scheme are of interest: the gas-fed pulsed plasma thruster (PPT) 1 and the quasi-steady magnetoplasmadynamic (MPD) accelerator. 2 The gas-fed pulsed plasma accelerator is generally understood as a completely transient device discharging in ∼1-10 μs. When the capacitor bank is discharged through the gas, a current sheet forms at the breech of the thruster and propagates forward under a j × B body force, entraining and accelerating propellant it encounters. This process is sometimes referred to in literature as 'snowplowing' the propellant or accelerating the gas in a detonation-mode because the current sheet representation approximates that of a strong detonation shockwave propagating through the gas. For these devices, acceleration of the initial current sheet ceases when either the current sheet reaches the end of the device and is ejected or when the current in the circuit reverses, striking a new 'crowbar' discharge at the breech and depriving the initial sheet of additional acceleration. In general, PPTs typically claim thrust efficiencies (ratio of jet kinetic energy to input electrical energy) registering in the teens or lower. 3 In the quasi-steady MPD accelerator, the pulse is lengthened to ∼1 ms or longer and maintained at an approximately constant level during discharge through the use of a pulse-forming network (PFN) of capacitors. After an initial transient discharge, which is typically short relative to the overall discharge period, the plasma assumes a relatively steady-state configuration, known as 'quasi-steady' MPD operation. 2 In this state, ionized gas flows through a stationary current channel in a manner that is sometimes referred to as deflagration-mode operation owing to the similarities to deflagration waves in gases. The plasma experiences electromagnetic acceleration as the plasma flows through the current channel towards the exit of the device. Quasi-steady MPD thrusters claim efficiencies up to 50% for certain propellants.4 There has been significant and sustained research over several decades on both gas-fed PPTs and quasi-steady MPD thrusters, however there have been pulsed thrusters that do not appear to exactly fit either classification, instead possessing a mixture of operational qualities characteristic of both thruster variants. The Coaxial High ENerGy (CHENG) thruster by Cheng, et al.5 operated on the short 10 μs timescales characteristic of PPTs, but claimed the high thrust densities, high efficiencies, and low electrode erosion rates that are more consistent with the MPD/deflagration mode of plasma acceleration. Gas-fed PPT research by Ziemer, et al. 3, 6 identified two separate regimes of performance in those thrusters. The regime at higher mass bits (termed Mode I in that work) possessed relatively constant thrust efficiency as a function of mass bit, while the second regime at very low mass bits (termed Mode II) exhibited an increase in efficiency with decreasing mass bit. Work by Poehlmann et al.7 and by Sitaraman and Raja8 sought to understand the performance of the CHENG thruster and the Mode I/Mode II performance in PPTs by modeling the acceleration using the Hugoniot Relation, with the detonation and deflagration modes of plasma acceleration representing two distinct sets of solutions to the relevant conservation laws. In these works, it was proposed that the values of the various controllable parameters determined whether the accelerator would operate in detonation or deflagration mode. Our hypothesized view of the acceleration process in the CHENG thruster and in PPTs experiencing a transition from Mode I to Mode II is inspired by observations of the transition from the PPT mode of operation to the quasi-steady MPD mode. Specifically, the quasi-steady MPD was discovered by driving a PPT to extended pulse lengths. Above a certain pulse length threshold the transient plasma current sheet transitions into a stable plasma acceleration mode that 'replicates in every observable detail steady flow self-field magnetoplasmadynamic acceleration.' 9 In the present work, instead of treating the accelerator as if it were only operating in a single mode during a pulse, we consider the initial stage of the discharge in all cases as a current sheet forming at the breach of the accelerator and moving towards the exit as a detonation wave. If the current sheet reaches the exit of the accelerator before the discharge is completed, the view of the acceleration mode transitions to the deflagration mode-type found in quasi-steady MPD thrusters. In previous work10 we presented a modeling framework that first captured the time-evolution of the current sheet (detonation) mode of the thruster and then transitioned into the quasi-steady MPD (deflagration) mode of plasma acceleration. In the present work, variations of the controllable parameters - specifically the pulsed circuit properties, the amount of mass injected into the thruster, and the relative timing between the initial gas injection and the initiation of the plasma current sheet - will be used to explore the thruster performance. A range of parameters are explored to demonstrate that standard gas-fed pulsed plasma accelerators, the CHENG thruster, and the quasi-steady MPD accelerator are variations of the same device, with the overall acceleration of the plasma depending upon the behavior of the plasma discharge during initial transient phase and the relative lengths of the detonation and deflagration modes of operation.

Polzin, Kurt A.↗

Simulation of a TRISO MiniFuel irradiation experiment with data-informed uncertainty quantification

An irradiation experiment using tristructural isotropic (TRISO) fuel particles and the miniature fuel (MiniFuel) irradiation vehicle was performed in Oak Ridge National Laboratory’s High Flux Isotope Reactor (HFIR) to support development of the Kairos Power fluoride salt–cooled, high-temperature reactor (KP-FHR). Here, this paper describes modeling predictions of temperatures and fuel burnup for the as-built experiment. An uncertainty quantification (UQ) analysis was performed to determine the effect of TRISO particle volume and position on the temperature predictions at various fuel heat generation rates (HGRs). This UQ study utilized fuel kernel position and volume measurements previously collected using X-ray computed tomography (XCT) techniques and Monte Carlo sampling methods to generate fuel compact cases that were then analyzed using a finite element thermal model. The UQ analysis indicated that uncertainty in calculated temperatures caused by varying TRISO particle arrangement is relatively small, even at high fuel HGR. Final predictions of particle temperatures throughout the irradiation are shown to be relevant to KP-FHR normal and off-normal operating conditions and to previous TRISO irradiation experiments. The combination of XCT with UQ analyses will inform post-irradiation examination (PIE) of the irradiated fuel compacts, and these analyses can be used to develop fuel performance models for coated particle fuel forms. Both PIE of separate-effects irradiation data and enhanced fuel performance modeling support accelerated qualification of TRISO fuels for a broad range of advanced reactor applications. The novel approach demonstrated here of measuring TRISO particle configurations with XCT methods and generating representative fuel compacts for finite element modeling and UQ analysis could be leveraged by the broader particle fuel community in the development of other TRISO fuel experiments in which these variables may have a significant impact on key outcomes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Deamidation of the human eye lens protein $\gamma$S-crystallin accelerates oxidative aging

Cataract, a clouding of the eye lens from protein precipitation, affects millions of people every year. The lens proteins, the crystallins, show extensive post-translational modifications (PTMs) in cataractous lenses. The most common PTMs, deamidation and oxidation, promote crystallin aggregation; however, it is not clear precisely how these PTMs contribute to crystallin insolubilization. Here, we report six crystal structures of the lens protein γS-crystallin (γS): one of the wild-type and five of deamidated γS variants, from three to nine deamidation sites, after sample aging. The deamidation mutations do not change the overall fold of γS; however, increasing deamidation leads to accelerated disulfide-bond formation. Addition of deamidated sites progressively destabilized protein structure, and the deamidated variants display an increased propensity for aggregation. Here these results suggest that the deamidated variants are useful as models for accelerated aging; the structural changes observed provide support for redox activity of γS-crystallin in the lens.

59 BASIC BIOLOGICAL SCIENCES↗

Durable Module Materials (DuraMAT) Consortium (Final Technical Report)

The DuraMAT Consortium brings together DOE national lab and university research capabilities with the photovoltaic (PV) and supply-chain industries to accelerate a sustainable, just, and equitable transition to zero carbon electricity generation by 2035 through our five core objectives: development of a central data resource for PV modules, multi-scale and multi-physics modeling, disruptive acceleration science, forensic tools for fielded modules, and materials solutions for more durable, reliable, and resilient modules.

14 SOLAR ENERGY↗

Accelerating the discovery of battery electrode materials through data mining and deep learning models

The availability of crystalline materials databases allows for building accurate machine learning (ML) models that can accelerate the exploration of materials chemical space for energy storage applications. In this work, we screen all inorganic materials included in the Materials Project and AFLOW databases as potential metal-ion battery electrodes. We develop an efficient protocol to mine and screen raw data in current databases and provide a new database of electrode materials by considering pairs of charged and discharged electrodes. This effort leads to a new database with over 190,000 instances, in contrast to the original battery database which contains about 5000. The expanded battery data set is then used to build regression-based deep neural network models for predicting average voltages and percentage volume changes upon charging and discharging, which present improvements of at least 28% for target properties with respect to previous models, and are now able to predict anode electrodes (low voltage region) as well as electrodes that will not work in electrochemical cells (negative voltages), overcoming the challenges identified in previous ML models for battery electrodes. Additionally, a further screening of the expanded database itself allowed us to identify 35 novel electrode candidates with excellent battery performance metrics.

25 ENERGY STORAGE↗

Beam delivery and final focus systems for multi-TeV advanced linear colliders

The Beam Delivery System (BDS) is a critical component of a high-energy linear collider. It transports the beam from the accelerator and brings it to a focus at the Interaction Point. The BDS system includes diagnostic sections for measuring the beam energy, emittance, and polarization, as well as collimators for machine protection. The length of the BDS increases with collision energy. Higher collision energies also require higher luminosities, and this is a significant constraint on the design for energy-frontier machines. Here, we review BDS designs based on traditional quadrupole magnets and examine the challenges involved in extending these to the Multi-TeV regime consistent with requirements for advanced accelerator concepts.

43 PARTICLE ACCELERATORS↗