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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Evolving Electricity Supply and Demand to Achieve Net-Zero Emissions: Insights from the EMF-37 Study

This paper explores the role of electricity in achieving economy-wide net-zero CO2 emissions by 2050 in the United States based on results from 17 models as part of the 37th Stanford Energy Modeling Forum (EMF-37). In the study's Net-Zero scenario, the models use diverse pathways to achieve net-zero emissions by 2050, with gross energy-related residual emissions ranging from 17.2 to 66.6 % of 2020 levels. Electricity consistently emerges as central to achieving net-zero, with models projecting rapid electrification of end-uses and rapidly declining CO2 intensity of electricity. However, the extent of electrification and the technology mix to decarbonize the power sector vary considerably across models. In the Net-Zero scenario, electricity is projected to evolve from ~20 % of final energy in 2020 to 17-63 % in 2050 across the models driven by electrification in all sectors-buildings, industry, and transportation-and, to a lesser extent by direct air capture. By 2050, total electricity consumption increases by 24-176 % (relative to 2020), accompanied by significant expansion in renewable electricity production. Together, solar and wind generation grows by 175-834 %, supplying 45-90 % of total electricity in 2050, with wind achieving slightly higher shares than solar. Electricity storage technologies are deployed at scale to support wind and solar generation. The electricity generation mix varies across models: some project almost complete reliance on renewables, while others see a substantial role for natural gas, often with carbon capture and storage. This paper synthesizes the rich diversity of modeling approaches and results, highlighting differing views on how key drivers of electricity demand and supply might evolve.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS1994

Analysis of subgrid models using direct and large-eddy simulations of isotropic turbulence

Direct and large eddy simulations of forced and decaying isotropic turbulence have been performed using a pseudospectral and a finite-difference code. Subgrid models that include a one-equation subgrid kinetic energy model with and without a stochastic backscatter forcing term and a new scale similarity model have been analyzed in both Fourier space and physical space. The Fourier space analysis showed that the energy transfer across the cutoff wavenumber k(sub c) is dominated by local interaction. The correlation between the exact and the modeled (by a spectral eddy viscosity) nonlinear terms and the subgrid energy transfer in physical space was found to be quite low. In physical space, a similar correlation analysis was carried out using top hat filtering. Results show that the subgrid stress and the energy flux predicted by the subgrid models correlates very well with the exact data. The scale similarity model showed very high correlation for reasonable grid resolution. However, with decrease in grid resolution, the scale similarity model became more uncorrelated, when compared to the kinetic energy subgrid model. The subgrid models were then used for large-eddy simulations for a range of Reynolds number. It was determined that the dissipation was modeled poorly and that the correlation with the exact results was quite low for all the models. In general, for coarse grid resolution, the scale similarity model consistently showed very low correlation while the kinetic energy model showed a relatively higher correlation. These results suggest that to use the scale similarity model relatively fine grid resolution may be required, whereas, the kinetic energy model could be used even in coarse grid.

Menon, S.↗
DOE OSTI2020

Integrating Electric Vehicle Charging Infrastructure into Commercial Buildings and Mixed-Use Communities: Design, Modeling, and Control Optimization Opportunities: Preprint

This paper discusses modeling and field studies of controlled EV charging that have been performed with the goal of minimizing requirements for infrastructure upgrades, minimizing building peak demand charges, and maximizing the use of on-site generation. We present a large-scale workplace charging pilot of a demand-controlled scheduled EV charging system with over 250 active daily commuters, successfully demonstrating management of aggregate charging power to avoid new infrastructure investments, mitigate peak demand charges, and provide cost-effective workplace charging to users. In addition to understanding opportunities for demand management, integrating these controllable loads into the energy modeling process for new buildings will also be necessary. This paper then presents an example energy modeling process that evaluates the potential effects of EV charging on building load profiles and infrastructure requirements for a mixed-use community. Finally, we discuss an illustration of how EV charging can be controlled to be synergistic with other building loads and distributed generation.

buildings↗
NASA NTRS2003

Volatile-rich Crater Interior Deposits on Mars: An Energy Balance Model of Modification

Several craters on Mars are partially filled by material emplaced by post-impact processes. Populations of such craters include those in the circumsouth polar cap region, in Arabia Terra, associated with the Medusae Fossae Formation, and in the northern lowlands proximal to the north polar cap. In this study, crater fill material refers to an interior mound, generally separated from the interior walls of the crater by a trough that may be continuous along the crater s circumference (i.e. a ring-shaped trough), or may only partially contact the crater walls (i.e. a crescent-shaped trough). The fill deposit is frequently off-center from the crater center and may be asymmetric, (i.e. not circular) in plan view shape. Here we test the hypothesis that asymmetries in volatile fill shape, profile, and center-location within a crater result from asymmetries in local energy balance within the crater due mainly to variation of solar insolation and radiative effects of the crater walls over the crater interior. We first focus on Korolev crater in the northern lowlands. We can then apply this model to other craters in different regions. If asymmetry in morphology and location of crater fill are consistent with radiative-dominated asymmetries in energy budget within the crater, then 1) the volatile-rich composition of the fill is supported (this process should not be effective at shaping volcanic or sedimentary deposits), and 2) the dominant factor determining the observed shape of volatile-rich crater fill is the local radiative energy budget within the crater (and erosive processes such as eolian deflation are not necessary).

Russell, Patrick S.↗
DOE OSTI2022

Individualized empirical baselines for evaluating the energy performance of existing buildings

The evaluation of building energy performance requires a baseline for comparison. Common empirical baselines are usually used for existing buildings since they are fast and convenient. However, the same type of building at the same location will receive the same baseline despite their difference in usage. Individualized baselines by creating building energy models are possible solutions, but it is labor intensive and time-consuming. To fill the gap, this study is to develop individualized empirical baselines for existing buildings in a fast way. First, common empirical baselines are created based on survey data. Then, to get training samples, building energy models for large-scale existing buildings are created and simulated. So finally, based on simulation results, mathematical models to get individualized empirical baselines in a fast way are created. U.S. medium office buildings were used as an example to demonstrate the method. We developed 30 mathematical models for medium office buildings in two vintages (constructed before 1980 and after 1980) and 15 climate zones. The mean absolute percentage errors (MAPE) between the individualized empirical baselines and the modeled baselines for those 30 mathematical models are all lower than 5.5%. An engineer can obtain the individualized empirical baseline for an existing building in a few seconds by using the open-source tool we developed.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Learning from learning machines: improving the predictive power of energy-water-land nexus models with insights from complex measured and simulated data

Focal Area(s): Insights gleaned from complex data (observed and simulated) using AI; Predictive modeling through the use of AI techniques and AI-derived model components, including physics- and knowledge-informed models; Energy-water-land nexus and integrated energy systems – models of MultiSector dynamics. Science Challenge: Scientific communities are in need of tools for the computational integration of physics-based models, experimental data, and empirical/observational studies across a broad range of temporal and spatial scales to explore and meet EESSD grand challenges. We require AI algorithms for the discovery of process-drivers in the Earth-energy-human system and to link them with complex measured and simulated data. We aim to understand the energy-water-land nexus, particularly under extreme forcing scenarios and rare events, leveraging scale-aware AI process models, including probabilistic uncertainties, and benefiting from the emerging 5G-enabled landscape-scale sensing and edge computing capabilities. These models are needed to identify instabilities and tipping points that manifest extreme system behaviors with consequences for integrated energy systems and the environment. This work requires fundamental advances in uncertainty quantification, in particular, to identify and model unlikely but catastrophic outliers. Specifically, we need models that are interpretable to domain scientists and, essentially, explainable to public and private stake holders.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Modeling Distributed Energy Resources for Analyzing Distribution Systems with High Renewable Penetration: Preprint

Increasing levels of inverter-based distributed energy resources (IBDERs) impact the legacy overcurrent distribution protection systems. The fault current injections of IBDERs are limited to between 1-2 p.u. of the rated current. The combination of the limited fault current and varying system load makes it increasingly difficult to reliably set the overcurrent protection. To address this challenge, researchers are proposing adaptive overcurrent protection mechanisms that can adapt to changing system conditions. Accurate modeling of IBDERs is required to develop reliable protection schemes. This paper presents a photovoltaics-based IBDER model in OpenDSS for adaptive overcurrent protection. The paper presents the validation of the proposed IBDER model against a detailed model in electromagnetic transient programs. Protection analysis of the Electric Power Research Institute J1 feeder with the proposed IBDER model is also presented.

adaptive↗
NASA NTRS2022

STITCH: A Subgrid-Scale Model for Energy Buildup in the Solar Corona

The solar corona routinely exhibits explosive activity, in particular coronal mass ejections and their accompanying eruptive ares, that have global-scale consequences. These events and their smaller counterparts, coronal jets, originate in narrow, sinuous lament channels. The key processes that form and evolve the channels operate on still smaller spatial scales and much longer time scales, culminating in a vast separation of characteristic lengths and times that govern these explosive phenomena. In this article, we describe implementation and tests of an efficient subgrid-scale model for generating eruptive structures in magnetohydrodynamics (MHD) coronal simulations. STITCH {STatistical InjecTion of Condensed Helicity { is a physics-based, reduced representation of helicity condensation: a process wherein small-scale vortical surface convection forms ubiquitous current sheets, and pervasive reconnection across the sheets mediates an inverse cascade of magnetic helicity and free energy, thereby forming the lament channels. We have developed a formalism, STITCH, that abstracts these complex processes into a single term in Ohm's law and the induction equation that directly injects tangential magnetic flux into the low corona. We show that our approach is in very good agreement with a full helicity-condensation calculation that treats all of the dynamics explicitly, while enabling substantial reductions in temporal duration and spatial resolution. In addition, we illustrate the flexibility of STITCH at forming localized lament channels and at energizing complex surface flux distributions that have sinuous boundaries. STITCH is simple to implement and computationally ecient, making it a powerful technique for physics-based modeling of solar eruptive events.

J T Dahlin↗
DOE OSTI2026

Kernel Enriched Meshfree Multiphysics Degradation Modeling of Energy Storage Materials

Energy storage materials exhibit strong electro-chemo-mechanical coupling and highly anisotropic material properties, contributing to the formation and propagation of micro-cracking during charge/discharge cycling and ultimately diminishing performance and service life. With microstructural images supplied by the National Laboratory of the Rockies (NLR), pixel-based meshfree model construction by the reproducing kernel particle method (RKPM) is used to represent the complex material microstructures that dictate the coupled physics of these systems. Traditional electro-chemo-mechanical models rely on mesh-based finite element methods, which can lead to difficulties in meshing such complex geometries and capturing crack propagation due to mesh dependency. The first kernel enrichment discussed will be the interface modified reproducing kernel (IM-RK) [1, 2], constructed by scaling a smooth kernel function with an interface-distance function to achieve strategic discontinuity types (i.e. weak discontinuities for strain discontinuities and strong discontinuities for cracks) and alleviate Gibbs oscillations near these transition zones. The IM-RK is especially useful for areas in which a known discontinuity-type is expected a priori. The second kernel enrichment to be discussed is a neural network-enhanced reproducing kernel (NN-RK) [3, 4], which is introduced to effectively model non-obvious damage and crack propagation in the material microstructures; the location, orientation, and solution transition near a localization are automatically captured by superimposed block-level NN optimizations. This NN enrichment approach allows for effective modeling of localizations via a fixed background discretization, relieving tedious efforts for adaptive refinement in traditional mesh-based methods. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. NN-RK is additionally used to inform how crack opening and closure in turn affect the electro-chemo-mechanical responses in the material microstructure. References: [1] Wang, Y., Baek, J., Tang, Y. et al. "Support vector machine guided reproducing kernel particle method for image-based modeling of microstructures," Comput Mech 73, 907-942 (2024). https://doi.org/10.1007/s00466-023-02394-9. [2] Susuki, K., Allen, J. & Chen, J. S.. "Image-based modeling of coupled electro-chemo-mechanical behavior of Li-ion battery cathode using an interface-modified reproducing kernel particle method," Engineering with Computers (2024). https://doi.org/10.1007/s00366-024-02016-9. [3] Baek, J., Chen, J. S., Susuki, K., "Neural Network enhanced Reproducing Kernel Particle Method for Modeling Localizations," International Journal for Numerical Methods in Engineering, Vol. 123, 4422-4454 (2022). https://doi.org/10.1002/nme.7040.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Thioester synthesis by a designed nickel enzyme models prebiotic energy conversion

The formation of carbon–carbon bonds from prebiotic precursors such as carbon dioxide represents the foundation of all primordial life processes. In extant organisms, this reaction is carried out by the carbon monoxide dehydrogenase (CODH)/acetyl coenzyme A synthase (ACS) enzyme, which performs the cornerstone reaction in the ancient Wood–Ljungdahl metabolic pathway to synthesize the key biological metabolite, acetyl-CoA. Despite its significance, a fundamental understanding of this transformation is lacking, hampering efforts to harness analogous chemistry. To address these knowledge gaps, we have designed an artificial metalloenzyme within the azurin protein scaffold as a structural, functional, and mechanistic model of ACS. We demonstrate the intermediacy of the Ni I species and requirement for ordered substrate binding in the bioorganometallic carbon–carbon bond-forming reaction from the one-carbon ACS substrates. The electronic and geometric structures of the nickel-acetyl intermediate have been characterized using time-resolved optical, electron paramagnetic resonance, and X-ray absorption spectroscopy in conjunction with quantum chemical calculations. Moreover, we demonstrate that the nickel-acetyl species is chemically competent for selective acyl transfer upon thiol addition to biosynthesize an activated thioester. Drawing an analogy to the native enzyme, a mechanism for thioester generation by this ACS model has been proposed. The fundamental insight into the enzymatic process provided by this rudimentary ACS model has implications for the evolution of primitive ACS-like proteins. Ultimately, these findings offer strategies for development of highly active catalysts for sustainable generation of liquid fuels from one-carbon substrates, with potential for broad applications across diverse fields ranging from energy storage to environmental remediation.

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

Development of a Sizing and Modeling Platform for District Energy Systems with Geothermal Heat Pumps

Existing tools for community or urban scale energy system modeling and simulation are often limited in their capabilities and require expert-level modeling proficiency to develop system models. To fill this gap, this paper proposes an integrated sizing and modeling platform for district energy systems with geothermal heat pumps. The proposed platform takes in geometric and non-geometric user inputs related to the buildings, borefield, and district energy loop. Then, the platform sizes the geothermal heat exchanger, generates a corresponding district energy system model, and runs an annual simulation automatically. We validated the simulation performance of the borefield in our tool against EnergyPlus. A case study is provided in this paper to demonstrate the workflow and simulation result plausibility of the proposed platform.

decarbonization↗
DOE OSTI2023

Strongly Heated Turbulent Flow in a Channel with Pin Fins

Large-eddy simulations (LES) were performed to study the turbulent flow in a channel of height H with a staggered array of pin fins with diameter D = H/2 as a function of heating loads that are relevant to the cooling of turbine blades and vanes. The following three heating loads were investigated—wall-to-coolant temperatures of Tw/Tc = 1.01, 2.0, and 4.0 - where the Reynolds number at the channel inlet was 10,000 and the back pressure at the channel outlet was 1 bar. For the LES, two different subgrid-scale models—the dynamic kinetic energy model (DKEM) and the wall-adapting local eddy-viscosity model (WALE)—were examined and compared. This study was validated by comparing with data from direct numerical simulation and experimental measurements. The results obtained show high heating loads to create wall jets next to all heated surfaces that significantly alter the structure of the turbulent flow. Results generated on effects of heat loads on the mean and fluctuating components of velocity and temperature, turbulent kinetic energy, the anisotropy of the Reynolds stresses, and velocity-temperature correlations can be used to improve existing RANS models.

42 ENGINEERING↗
DOE OSTI2024

Spectroscopic Measurements and Models of Energy Deposition in the Substrate of Quantum Circuits by Natural Ionizing Radiation

Naturally occurring background radiation is a potential source of correlated decoherence events in superconducting qubits that will challenge error-correction schemes. In order to characterize the radiation environment in an unshielded laboratory representative of superconducting qubits’ environments, we performed broadband, spectroscopic measurements of background radiation events inside a millikelvin refrigerator. The spectrometer was designed to mimic the size and composition of a quantum circuit. Specifically, we measured the background radiation spectra in silicon substrates of two thicknesses, 500 and 1500 µm, and one area, 25 mm 2 . The observed spectra span energies from a few kilo-electron-volts up to nearly 10 MeV, are nearly featureless, and decrease in intensity by a factor of 40 000 between 100 keV and 3 MeV for the 500-µm substrate. We integrate the spectra to obtain the average event rates and deposited power levels. These quantities correspond to a rate of 0.023 events per second and a power of 4.9 keV s -1 , when counting events that deposit at least 40 keV for the 500-µm-thick substrate. We find that the cryogenic measurements are in good agreement with predictions based on simple measurements of the terrestrial gamma-ray flux outside the refrigerator, published models of cosmic-ray fluxes, a crude model of the cryostat, and radiation-transport simulations. This model requires no free parameters to predict the background radiation spectra in the silicon substrates. The agreement between measurements and predictions demonstrates that the model we present can be used to assess the relative contributions of terrestrial and cosmic-ray sources to background radiation interactions in silicon substrates of varying thickness. These spectroscopic measurements are performed with a novel combination of superconducting microresonators located on micromachined silicon islands that define the interaction volume with background radiation. The resonators transduce deposited energy to a readily detectable electrical signal. Microresonator readout closely resembles dispersive superconducting qubit readout, so similar devices—with or without micromachined islands—are suitable for integration with superconducting quantum circuits as detectors for background radiation events. For our specific laboratory conditions, we find that gamma-ray emissions from radioisotopes are responsible for the majority of events that deposit E < 1 ⁢Me⁢V. We present results demonstrating that the background radiation spectrum contains relevant contributions from cosmic-ray particles other than muons, particularly a tail of multi-mega-electron-volt events due to protons and neutrons. These observations suggest several paths to reducing the impact of background radiation on quantum circuits, supported by an empirically validated model for generating reliable predictions of radiation interactions with silicon substrates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Experimental validation of a co-simulation architecture for modeling whole-building and detailed electrical distribution performance

This article presents an experimental validation of a co-simulation architecture for simultaneously modeling whole-building energy performance and detailed building electrical distribution system performance. The co-simulation architecture consists of a whole-building energy model (EnergyPlus®) embedded within a Modelica-based building electrical distribution system library called the Building Electrical Efficiency Analysis Model (BEEAM) using the Functional Mock-up Interface standard. We validate the model using experimental data collected at a full-scale test cell within Lawrence Berkeley National Laboratory’s FLEXLAB® facility. In conclusion, we show that the co-simulation model accurately predicts the electrical, mechanical, and thermal performance of the test cell for typical loads with both an AC and a DC electrical distribution topology.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

National Cost-Effectiveness of ANSI/ASHRAE/IES Standard 90.1–2019

The purpose of this analysis is to examine the cost-effectiveness of the 2019 edition of ANSI/ASHRAE/IES Standard 90.1, which is developed by the ASHRAE Standard Standing Project Committee (SSPC) 90.1, and is the model energy standard for all commercial buildings and multifamily residential buildings over three floors. PNNL analyzed the cost-effectiveness of changes in Standard 90.1-2019, compared to the previous 90.1-2016 edition, as applied in commercial buildings across the United States. In reviewing proposed changes to Standard 90.1, the SSPC considers the cost-effectiveness of individual changes (addenda). Due to the continuous nature of the development process, however, ASHRAE does not evaluate the entire package of addenda from one edition of the standard to the next, which is of particular interest to adopting state and local governments. Providing states with an analysis of cost-effectiveness facilitates a more comprehensive understanding of the impacts associated with updated model energy codes, informs the state decision-making process and its authorities, and ultimately encourages greater adoption of updated of energy codes. This information also informs the development of future editions of Standard 90.1.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

National Cost-Effectiveness of ANSI/ASHRAE/IES Standard 90.1-2022

The purpose of this analysis is to examine the cost-effectiveness of the 2022 edition of ANSI/ASHRAE/IES Standard 90.1, which is developed by the ASHRAE Standard Standing Project Committee (SSPC) 90.1 and is the model energy standard for all commercial buildings and multifamily residential buildings over three floors. PNNL analyzed the cost-effectiveness of changes in Standard 90.1-2022, compared to the previous 90.1-2019 edition, as applied in commercial buildings across the United States. In reviewing proposed changes to Standard 90.1, the SSPC considers the cost-effectiveness of individual changes (addenda). Due to the continuous nature of the development process, however, ASHRAE does not evaluate the entire package of addenda from one edition of the standard to the next, which is of particular interest to adopting state and local governments. Providing states with an analysis of cost-effectiveness facilitates a more comprehensive understanding of the impacts associated with updated model energy codes, informs the state decision-making process and its authorities, and ultimately encourages greater adoption of updated energy codes. This information also informs the development of future editions of Standard 90.1.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS1993

SPH modelling of energy partitioning during impacts on Venus

Impact cratering of the Venusian planetary surface by meteorites was investigated numerically using the Smoothed Particle Hydrodynamics (SPH) method. Venus presently has a dense atmosphere. Vigorous transfer of energy between impacting meteorites, the planetary surface, and the atmosphere is expected during impact events. The investigation concentrated on the effects of the atmosphere on energy partitioning and the flow of ejecta and gas. The SPH method is particularly suitable for studying complex motion, especially because of its ability to be extended to three dimensions. In our simulations, particles representing impactors and targets are initially set to a uniform density, and those of atmosphere are set to be in hydrostatic equilibrium. Target, impactor, and atmosphere are represented by 9800, 80, and 4200 particles, respectively. A Tillotson equation of state for granite is assumed for the target and impactor, and an ideal gas with constant specific heat ratio is used for the atmosphere. Two dimensional axisymmetric geometry was assumed and normal impacts of 10km diameter projectiles with velocities of 5, 10, 20, and 40 km/s, both with and without an atmosphere present were modeled.

Takata, T.↗