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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 1,495 records · Page 83

Improving Land Surface Temperature Simulation in CoLM Over the Tibetan Plateau through Fractional Vegetation Cover Derived from a Remotely Sensed Clumping Index and Model-Simulated Leaf Area Index

Parameterizations of fractional vegetation cover (FVC) in land surface models have important effects on simulations of surface energy budget, especially in arid and semiarid regions. This study uses a FVC scheme in which FVC is derived from leaf area index and a remotely sensed clumping index. The performance of the new scheme (SMFVC) is evaluated against Moderate Resolution Imaging Spectroradiometer (MODIS) land surface temperature (LST) and in situ soil temperature observations, together with two other FVC schemes, a general FVC scheme (CTL) based on land cover map and a climatology-based FVC scheme (RSFVC) that uses long-term remotely sensed Normalized Difference Vegetation Index of MODIS. The three FVC schemes were implemented in the Common Land Model (CoLM) and applied in the Tibetan Plateau using the same forcing data and default parameters. Our results demonstrate that FVC schemes have significant influence on the CoLM performance: (1) the RSFVC and SMFVC schemes significantly reduce the LST biases found in CTL, particularly in grassland and during summer; (2) soil temperature evaluation by in situ observations from three networks on the Tibetan Plateau corroborates the LST results; and (3) the improvements are mainly related to representing temporal (seasonal) variability and subgrid heterogeneity of FVC, which improves surface albedo and surface energy balance. In other words, by including more vegetation characteristics, such as using a clumping index, land surface models may better simulate surface vegetation condition and further better represent the land surface energy budget over the Tibetan Plateau.

Li, Chengwei↗

Power Hardware-in-the-Loop Testing of a Smart Distribution System

This paper presents the results of the third and final phase of the National Renewable Energy Lab (NREL) INTEGRATE demonstration: Smart Distribution. For this demonstration, high penetrations of solar PV and wind energy systems were simulated in a power hardware-in-the-loop set-up using a smart distribution test feeder. Simulated and real DERs were controlled by a real-time control platform, which manages grid constraints under high clean energy deployment levels. The power HIL testing, conducted at NREL's ESIF smart power lab, demonstrated how dynamically managing DER increases the grid's hosting capacity by leveraging active network management's (ANM) safe and reliable control framework. Results are presented for how ANM's real-time monitoring, automation, and control can be used to manage multiple DERs and multiple constraints associated with high penetrations of DER on a distribution grid. The project also successfully demonstrated the importance of escalating control actions given how ANM enables operation of grid equipment closer to their actual physical limit in the presence of very high levels of intermittent DER.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Hiearchical Engine for Large Scale Infrastructure Simulation

HELICS ls a new open-source, cyber-physlcal-energy co-simulation framework for electric power systems. HELICS Is designed to support very-large-scale (100,000+ federates) co­simulations with off-the-shelf power-system, communication, market, and end-use tools. Other key features Include cross platform operating system support, the integration of both eventdrlven (e.g., packetlzed communication) and time-series (e.g.,power flow) simulations, and the ability to co-Iterate among federates to ensure physical model convergence at each time step.

Top, Philip↗

Hiearchical Engine for Large Scale Infrastructure Simulation

HELICS ls a new open-source, cyber-physlcal-energy co-simulation framework for electric power systems. HELICS Is designed to support very-large-scale (100,000+ federates) co­simulations with off-the-shelf power-system, communication, market, and end-use tools. Other key features Include cross platform operating system support, the integration of both eventdrlven (e.g., packetlzed communication) and time-series (e.g.,power flow) simulations, and the ability to co-Iterate among federates to ensure physical model convergence at each time step.

Top, Philip↗

Precise calculations in simulations of the interaction of low energy neutrons with nano-dispersed media

We discuss properties of the interaction of slow neutrons with nano-dispersed media and their application for neutron reflectors. In order to increase the accuracy of model simulation of the interaction of neutrons with nanopowders, we perform precise quantum mechanical calculation of potential scattering of neutrons on single nanoparticles using the method of phase functions. We compare results of precise calculations with those performed within first Born approximation for nanodiamonds with the radius of 2–5 nm and for neutron energies 3 × 10{sup -7}–10{sup -3} eV. Born approximation overestimates the probability of scattering to large angles, while the accuracy of evaluation of integral characteristics (cross sections, albedo) is acceptable. Using Monte-Carlo method, we calculate albedo of neutrons from different layers of piled up diamond nanopowder.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Studying Open Quantum Systems Relevant to Chemistry on a Trapped-Ion Quantum Simulator (Final Technical Report)

This project advances the trapped-ion quantum simulator as a versatile platform for studying open quantum system phenomena. We aim to contribute to the emerging quantum simulation toolkits and enable simulation of nanoscale energy processes. Trapped-ion platforms offer unique capabilities: their vibrational motion can be precisely manipulated, measured, and coherently coupled to auxiliary qubits. The vibrational mode can function both as a highly sensitive quantum sensor and a programmable environment bath. Using this platform, we achieved three major outcomes. First, we demonstrated using the vibrational mode as an ultrasensitive probe for testing fundamental physics, including possible nonlinear quantum mechanics effects. Second, we established that these modes can act as controllable baths in which tunable noise and loss can enhance or modify energy-transfer dynamics, providing the experimental preparation toward studying mechanisms relevant to chemical reactions and light-harvesting systems. Third, by introducing controllable nonlinear gain and loss, we showed theoretically how simulations using trapped ions can model vibrationally-assisted energy transport in a non‐Hermitian quantum system comprising a chromophore dimer weakly coupled to a vibrational mode. Exploring the non‐Hermitian dynamics of the whole system including vibrations, we found that energy transfer accompanied by absorption of phonons from a vibrational mode can be significantly enhanced near an exceptional point. This theoretical work on simulation of energy transfer processes in driven non‐Hermitian quantum systems revealed an interesting novel path to study open quantum systems dynamics under conditions of gain and loss. We then further explored the benefits of controllable gain and loss with an experimental realization of quantum analogs of nonlinear oscillators, namely, the van der Pol oscillator. Here we observed mutual synchronization mediated by collective dissipation between two oscillators. In parallel, we explored related quantum networking protocols using the same trapped-ion platform, developing fast, high-fidelity schemes for distributing entanglement. Together, these achievements show that trapped-ion vibrational modes provide a highly programmable and high-fidelity platform for investigating complex dissipative quantum behavior, while enabling new approaches to remote quantum sensing, energy science, and nonlinear quantum dynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Earth System Model Aerosol–Cloud Diagnostics (ESMAC Diags) package, version 1: assessing E3SM aerosol predictions using aircraft, ship, and surface measurements

Abstract. An Earth system model (ESM) aerosol–cloud diagnostics package is developed to facilitate the routine evaluation of aerosols, clouds, and aerosol–cloud interactions simulated by the Energy Exascale Earth System Model (E3SM) from the US Department of Energy (DOE). The first version focuses on comparing simulated aerosol properties with aircraft, ship, and surface measurements, which are mostly measured in situ. The diagnostics currently cover six field campaigns in four geographical regions: eastern North Atlantic (ENA), central US (CUS), northeastern Pacific (NEP), and Southern Ocean (SO). These regions produce frequent liquid- or mixed-phase clouds, with extensive measurements available from the Atmospheric Radiation Measurement (ARM) program and other agencies. Various types of diagnostics and metrics are performed for aerosol number, size distribution, chemical composition, cloud condensation nuclei (CCN) concentration, and various meteorological quantities to assess how well E3SM represents observed aerosol properties across spatial scales. Overall, E3SM qualitatively reproduces the observed aerosol number concentration, size distribution, and chemical composition reasonably well, but it overestimates Aitken-mode aerosols and underestimates accumulation-mode aerosols over the CUS and ENA regions, suggesting that processes related to particle growth or coagulation might be too weak in the model. The current version of E3SM struggles to reproduce the new particle formation events frequently observed over both the CUS and ENA regions, indicating missing processes in current parameterizations. The diagnostics package is coded and organized in a way that can be extended to other field campaign datasets and adapted to higher-resolution model simulations.

54 ENVIRONMENTAL SCIENCES↗

SIMULATION-BASED WEATHER NORMALIZATION APPROACH TO STUDY THE IMPACT OF WEATHER ON ENERGY USE OF BUILDINGS IN THE U.S.

Weather normalization is a crucial task in several applications related to building energy conservation such as retrofit measurements and energy rating. This paper documents preliminary results found from an effort to determine a set of weather adjustment coefficients that can be used to smooth out impacts of weather on energy use of buildings in 1020 weather location sites available in the U.S. The U.S. Department of Energy (DOE) commercial reference building models are adopted as hypothetical models with standard operations to deliver consistency in modeling. The correlation between building envelop design, HVAC system design and properties for different building types and the change in heating and cooling energy consumption caused by variations in weather is examined.

buildings↗

Energetic Electrons in Dipolarization Events: Spatial Properties and Anisotropy

Using the electromagnetic fields of an MHD simulation of magnetotail reconnection, flow bursts, and dipolarization, we further investigate the acceleration of electrons to suprathermal energies. Particular emphasis is on spatial properties and anisotropies as functions of energy and time. The simulation results are compared with Time History of Events and Macroscale Interactions during Substorms observations. The test particle approach successfully reproduces several observed injection features and puts them into a context of spatial maps of the injection region(s): a dominance of perpendicular anisotropies farther down the tail and closer to the equatorial plane, an increasing importance of parallel anisotropy closer to Earth and at higher latitudes, a drop in energy fluxes at energies below approximately 10 keV, coinciding with the plasma density drop, together with increases at higher energy, a triple peak structure of flux increases near 0 deg, 90 deg, and 180 deg, and a tendency of flux increases to extend to higher energy closer to Earth and at lower latitudes. We identified the plasma sheet boundary layers and adjacent lobes as a main source region for both increased and decreased energetic electron fluxes, related to the different effects of adiabatic acceleration at high and low energies. The simulated anisotropies tend to exceed the observed ones, particularly for perpendicular fluxes at high energies. The most plausible reason is that the MHD simulation lacks the effects of anisotropy-driven microinstabilities and waves, which would reduce anisotropies.

anisotropy↗

SU-E-T-334: Track Structure Simulations of Charged Particles at Low and Intermediate Energies: Cross Sections Needs for Light and Heavy Ions

Purpose/Methods: Monte Carlo (MC) track structure simulations follow the primary as well as all produced secondary particles in an event-by-event manner, from starting or ejection energy down to total stopping. They provide useful information on physics and chemistry of the biological response to radiation. They depend on reliable interaction cross sections and transport models of the considered radiation quality with biologically relevant materials. Most transport models focus on sufficiently fast and bare (i.e., fully ionized) ions and cross sections calculated within the (relativistic) first Born or Bethe approximations. These theories consider the projectile as a point particle and rely on proton cross sections and simple charge-scaling methods; they neglect the atomic nature of the ion and break down at low and intermediate ion energies. Heavier ions are used in particle therapy and slow to intermediate and low energies in the biologically interesting Bragg peak. Lighter and slower fragment ions, including alpha particles, protons, and neutrons are also produced in nuclear and break up reactions of charged particles. Secondary neutrons also produce recoil protons and ions, mainly in the intermediate energy range. Results/Conclusion: This work reviews existing models for track structure simulations and cross section calculations for light and heavy ions focusing on the low and intermediate energy range. It also presents new and updated aspects on cross section calculations and simulation techniques for ions and discusses the need for new models, calculations, and experimental data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Calculation of the Gibbs Free Energy of Solvation and Dissociation of HCl in Water via Monte Carlo Simulations and Continuum Solvation Models

The free energy of solvation and dissociation of hydrogen chloride in water is calculated through a combined molecular simulation quantum chemical approach at four temperatures between T = 300 and 450 K. The free energy is first decomposed into the sum of two components: the Gibbs free energy of transfer of molecular HCl from the vapor to the aqueous liquid phase and the standard-state free energy of acid dissociation of HCl in aqueous solution. The former quantity is calculated using Gibbs ensemble Monte Carlo simulations using either Kohn-Sham density functional theory or a molecular mechanics force field to determine the system’s potential energy. The latter free energy contribution is computed using a continuum solvation model utilizing either experimental reference data or micro-solvated clusters. The predicted combined solvation and dissociation free energies agree very well with available experimental data. CJM was supported by the US Department of Energy,Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

McGrath, Matthew↗

Novel data interpretation method for DIII-D divertor retarding field energy analyzer with 3-D particle-in-cell simulations

A novel data interpretation process that utilizes comprehensive particle-in-cell (PIC) simulations is developed for the new retarding field energy analyzer (RFEA) currently being constructed at DIII-D for the lower divertor using the Divertor Material Evaluation System. Furthermore, this probe is expected to survive a heat load of up to 100 MW/m 2 for up to 5 s and reliably measure the main ion temperature (T i ) on the divertor target ranging from 10 to 200 eV. These extreme conditions posed significant engineering limitations on the probe geometry, thus extensive validation work has been performed. The conventional fitting method for the RFEA I–V characteristics is based on a simplified 1-D model without considering the ion space charge inside the probe cavity and may not be sufficient for probes designed for the DIII-D divertor environment. In this article, a more realistic description of the particle propagation process within the RFEA cavity is achieved by including both 3-D geometric effects and ion space charge in the PIC simulations, and the capability to reconstruct the ion energy distribution functions is demonstrated with reasonable consistency.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Reproducing the observed energy-dependent structure of Earth's electron radiation belts during storm recovery with an event-specific diffusion model

Here, we present dynamic simulations of energy-dependent losses in the radiation belt “slot region” and the formation of the two-belt structure for the quiet days after the 1 March storm. The simulations combine radial diffusion with a realistic scattering model, based data-driven spatially and temporally resolved whistler-mode hiss wave observations from the Van Allen Probes satellites. The simulations reproduce Van Allen Probes observations for all energies and L shells (2–6) including (a) the strong energy dependence to the radiation belt dynamics (b) an energy-dependent outer boundary to the inner zone that extends to higher L shells at lower energies and (c) an “S-shaped” energy-dependent inner boundary to the outer zone that results from the competition between diffusive radial transport and losses. We find that the characteristic energy-dependent structure of the radiation belts and slot region is dynamic and can be formed gradually in ~15 days, although the “S shape” can also be reproduced by assuming equilibrium conditions. The highest-energy electrons (E > 300 keV) of the inner region of the outer belt (L ~ 4–5) also constantly decay, demonstrating that hiss wave scattering affects the outer belt during times of extended plasmasphere. Through these simulations, we explain the full structure in energy and L shell of the belts and the slot formation by hiss scattering during storm recovery. We show the power and complexity of looking dynamically at the effects over all energies and L shells and the need for using data-driven and event-specific conditions.

58 GEOSCIENCES↗

Validation of Geant4 Hadronic Generators versus Thin Target Data

The GEANT4 toolkit is widely used for simulation of high energy physics (HEP) experiments, in particular, those at the Large Hadron Collider (LHC). The requirements of robustness, stability and quality of simulation for the LHC are demanding. This requires an accurate description of hadronic interactions for a wide range of targets over a large energy range, from stopped particle reactions to low energy nuclear interactions to interactions at the TeV energy scale. This is achieved within the Geant4 toolkit by combining a number of models, each of which are valid within a certain energy domain. Comparison of these models to thin target data over a large energy range indicates the strengths and weaknesses of the model descriptions and the energy range over which each model is valid. Software has been developed to handle the large number of validation tests required to provide the feedback needed to improve the models. An automated process for carrying out the validation and storing/displaying the results is being developed and will be discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Public Reference Data for Megawatt-Scale Hydrogen Electrolysis – Simulated Wind

The U.S. Department of Energy and the National Laboratory of the Rockies (NLR) demonstrate hydrogen electrolysis, hydrogen compression and storage, and variable hydrogen fuel cell power production using megawatt-scale equipment at NLR’s Flatirons Campus as part of the Advanced Research on Integrated Energy Systems (ARIES) initiative. This dataset represents part of that effort and is intended for academic, national laboratory, industrial, and other stakeholders to plan, design, and validate models of megawatt-scale hydrogen technologies and diverse energy infrastructure nationwide. These data provide a baseline for how existing hydrogen electrolysis technologies perform when coupled with various energy technologies. Future datasets will demonstrate how existing hydrogen fuel cell technologies can provide controllable, dispatchable, and variable power output for artificial intelligence (AI) data centers and other variable loads. This dataset entry describes hydrogen production using a single, simulated wind turbine. The electrolyzer is a 1.25-MW proton exchange membrane type MC250 system manufactured by Nel Hydrogen . While the unit supports up to 2.5 MW of electrolysis, NLR only has a single 1.25-MW electrolysis stack. For the simulated wind energy profiles, NLR used OpenFAST to simulate a 3.4-MW International Energy Agency (IEA) reference wind turbine. The hour-long wind energy profiles varied over wind turbulence intensity (Class A or Class C) and average wind speed (5, 7, or 9 m/s). To match the power limits of the 1.25-MW electrolyzer and 3.4-MW IEA wind turbine most effectively and to maximize the efficiency of hydrogen production at a given average wind speed, the profiles were sometimes scaled by two times. This means that, in some cases, the experimental setup assumed two 1.25-MW electrolyzers were coupled with the wind turbine, representing a total maximum electrolysis load of 2.5 MW. Finally, NLR experimented with two settings for the electrolyzer power supply minimum and maximum current ramp rates (gain and slew): 200 and 400 amperes per second. The simulated profiles were translated from power (kilowatts) to current (amperes) using a curve fit with calibration data and sent to the electrolyzer power supply at 1-Hz frequency. These datasets report relevant hydrogen balance-of-plant and system data, all captured at 1 Hz, including hydrogen mass production measured with an Emerson Coriolis flow meter. Each .zip file represents a single wind turbine electrolysis experiment and is formatted as follows: {technology}-{average wind speed}-{turbulence class}_{number of 1.25 MW electrolyzers connected}-{electrolyzer ramp rate in amperes/second} For instance, “windIEA3.4-5ms-C_2-400.zip” represents the hour-long experiment using the IEA 3.4-MW turbine, subjected to an average wind speed of 5 m/s and Class C wind turbulence, and connected to two 1.25-MW electrolyzers with the power supply set to a maximum current ramp rate (gain and slew) of 400 A/s. Each .zip folder contains the following files: A .csv file containing raw data. An .xlsx file explaining all the fields in the raw data. A .png plot showing the time series of hydrogen production in kilograms per hour, electrolysis power consumption, and input wind turbine power. An experiment labeled “characterization_200.zip” demonstrates the MC250 electrolyzer steady-state response with 30 minute load steps for a total duration of 5 hours. Finally, a .csv file is provided with all simulated wind experiments combined into one dataset labeled "combined_wind_experiments.csv". NLR also built an AI/machine-learning predictive model based on these datasets. The model ingests the electrolyzer current command in amperes, as well as various pressures and temperatures across the system, and predicts hydrogen output in kilograms per hour. The complete model can be found at https://huggingface.co/NatLabRockies/ptmelt-hydrogen-electrolysis .

08 HYDROGEN↗

Low-energy irradiation effects in cellulose

Using molecular dynamics simulations, we determined the threshold energy for creating defects as a function of the incident angle for all carbon and oxygen atoms in the cellulose monomer. Our analysis shows that the damage threshold energy is strongly dependent on the initial recoil direction and on average slightly higher for oxygen atoms than for carbon atoms in cellulose chain. We also performed cumulative bombardment simulations mimicking low-energy electron irradiation (such as TEM imaging) on cellulose. Analyzing the results, we found that formation of free molecules and broken glucose rings were the most common forms of damage, whereas cross-linking and chain scission were less common. Pre-existing damage was found to increase the probability of cross-linking.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗