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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 595 records · Page 33

Physics-Informed Graph Neural Networks for Collaborative Dynamic Reconfiguration and Voltage Regulation in Unbalanced Distribution Systems

Network reconfiguration has long been employed as a strategic approach to minimize power distribution system losses and effectively regulate voltage levels. Tap-changing voltage regulators are also critical for controlling bus voltages, especially in accommodating the increasing integration of distributed energy resources (DERs) with intermittent outputs. This paper introduces novel methodologies to address the challenges of dynamic reconfiguration and optimal tap setting in unbalanced three-phase distribution systems. We propose an approximated mixed-integer quadratically constrained program (MIQCP) to model dynamic reconfiguration, along with a pioneering formulation for voltage regulator (VR) tap-setting based on Special Ordered Set type 1 (SOS1). To mitigate computational complexity, we propose a physics-informed spatial-temporal graph convolutional network (STGCN) with an integrated link classifier. The proposed approach enables efficient solution generation by fixing specific variables in the MIQCP instance and solving the simplified sub-MIP using an MIP solver. Numerical studies demonstrate the superior prediction accuracy of our STGCN model compared to baseline neural network models, resulting in reduced DER curtailment and voltage deviation with shorter computation time.

dynamic reconfiguration↗

The effect of ion pairing on speciation and transport in ion exchange membranes at varying hydration levels: A four-state model

Understanding ion pairing in ion exchange membranes (IEMs) is essential for advancing IEM applications in energy and environmental technologies. Here, this study introduces a four-state molecular dynamics model to quantify speciation and transport within Nafion-117, specifically examining the role of ion pairing in monovalent and divalent counterions (NaCl, Na 2 SO 4 , and MgSO 4 ). By analyzing radial distribution functions (RDFs) and molecular snapshots, we distinguish ion pairing modes and classify counterions into four states: condensed counterion, condensed ion pair, free ion pair, and free counterion. A key finding is that while divalent counterions (e. g., Mg 2+ ) maintain stable speciation across hydration levels, monovalent counterions (e.g., Na + ) show notable speciation shifts with hydration. Both monovalent and divalent counterions are not diffusive when condensed onto the polymer (sorbed to membrane functional groups). In contrast, free counterions are diffusive across all hydration levels. To evaluate the overall diffusivity of counterions, four-state fractions and diffusivities are computed, each contributing to counterion transport. The condensed/free ion speciation for multivalent sulfate salts aligns with previous revisions to the Donnan-Manning framework that include ion pairing, thereby validating its relevance to established membrane theories. The four-state model's diffusivity results support several current ion exchange assumptions, including that the condensed counterions are immobile, while uncondensed counterions are mobile. The four-state model offers insights into contact ion pairing within IEMs, highlighting its potential even when undetected in aqueous solution experiments. This work advances the theoretical understanding of counterion speciation in IEMs while identifying model limitations that suggest avenues for refinement, such as distinguishing water-mediated ion pairs between fully hydrated ions.

Ion exchange membranes↗

Customized open source renewable energy models validated through PHIL lab experiments

Energy models for power systems require ongoing updates to reflect advancements in equipment technology and the increasing complexity of power electronic devices. This study utilizes a Power Hardware-in-the-Loop (PHIL) experimental setup to validate custom photovoltaic (PV) inverter models, aiming to enhance and expedite the development of advanced renewable energy models. The research compares the performance of a physical inverter with generic Renewable Energy Source (RES) models recommended by the Western Electricity Coordinating Council (WECC). As inverter-based renewable energy sources become more prevalent in modern electrical grids, it is crucial that dynamic models accurately represent their real-world behavior. Accurate models improve our understanding of these energy resources and their interactions with the grid. The proposed model enhancements are designed to better reflect real inverter performance, based on insights from PHIL experiments. These models are developed using the open source Modelica language and the OpenIPSL Modelica Library, allowing integration across various simulation tools without re-implementation. The paper concludes with a thorough assessment, comparing the enhanced models with PHIL experiments on a real PV inverter in a controlled laboratory setting. As a result, the study provides the enhanced WECC RES models and validation data as open source resources, facilitating further research and development.

Modelica↗

Dark and luminous mass components of Omega Centauri from stellar kinematics

Here we combine proper motion data from Gaia EDR 3 and HST with line-of-sight velocity data to study the stellar kinematics of the ω Cen globular cluster. Using a steady-state, axisymmetric dynamical model, we measure the distribution of both the dark and luminous mass components. Assuming both Gaussian and Navarro–Frenk–White mass profiles, depending on the data set, we measure an integrated mass of ≲10 6 M ⊙ within the ω Cen half-light radius for a dark component that is distinct from the luminous stellar component. For the HST and radial velocity data, models with a non-luminous mass component are strongly statistically preferred relative to a stellar mass-only model with a constant mass-to-light ratio. While a compact core of stellar remnants may account for a dynamical mass up to ~5 x 10 5 M ⊙ , they likely cannot explain the higher end of the range. This leaves open the possibility that this non-luminous dynamical mass component comprises non-baryonic dark matter. In comparison to the dark matter distributions around dwarf spheroidal galaxies, the ω Cen dark mass component is much more centrally concentrated. Interpreting the non-luminous mass distribution as particle dark matter, we use these results to obtain the J-factor, which sets the sensitivity to the annihilation cross-section. For the data sets considered, the range of median J-factors is ~10 22 -10 24 GeV 2 cm -5 , which is larger than that obtained for any dwarf spheroidal galaxy.

79 ASTRONOMY AND ASTROPHYSICS↗

Multiscale Explanation of the Missing Gallium Vacancy in Gallium Arsenide

Irradiation of gallium arsenide (GaAs) produces immobile vacancies and mobile interstitials. Yet, after decades of experimental investigation, the immobile Ga vacancy continues to evade detection, raising the question: where is the Ga vacancy? Static first-principles calculations predict a Ga vacancy should be readily observed. We find that short-time dynamical evolution of primary defects is the key to explaining this conundrum. Using a dynamical multiscale atomistically informed device engineering (AIDE) method, we discover that during the initial displacement damage, the Ga vacancy (3-/2-) defect level pins the Fermi level near the midgap, producing oppositely charged vacancies and interstitials. Driven by Coulomb attraction, fast As interstitials preferentially annihilate Ga vacancies. The Ga vacancy population plummets below detectable limits—and the now unpinned Fermi level recovers—before being experimentally observed. This dynamical model solves the mystery of the missing Ga vacancy and reveals the importance of a multiscale approach to explore the dynamical chemical behavior in experimentally inaccessible short-time regimes.

Diaz, Leopoldo [Sandia National Laboratories (SNL-↗

PNNL - WRF-LES - Convective - TTU

This dataset includes large-eddy simulation (LES) output from a convective atmospheric boundary layer (ABL) simulation of observations at the SWIFT tower near Lubbock, Texas on July 4, 2012. The dataset was used to assess the LES models for simulation of canonical convective ABL. The dataset can be used for comparison with other LES and computational fluid dynamics model outputs.

17 WIND ENERGY↗

ANL - WRF-LES - Convective - TTU

This dataset includes large-eddy simulation (LES) output from a convective atmospheric boundary layer (ABL) simulation of observations at the SWIFT tower near Lubbock, Texas on July 4, 2012. The dataset was used to assess the LES models for simulation of canonical convective ABL. The dataset can be used for comparison with other LES and computational fluid dynamics model outputs.

17 WIND ENERGY↗

LANL - WRF-LES - Convective - TTU

This dataset includes large-eddy simulation (LES) output from a convective atmospheric boundary layer (ABL) simulation of observations at the SWIFT tower near Lubbock, Texas on July 4, 2012. The dataset was used to assess the LES models for simulation of canonical convective ABL. The dataset can be used for comparison with other LES and computational fluid dynamics model outputs.

17 WIND ENERGY↗

SNL - SONIC - Convective - TTU

This dataset includes large-eddy simulation (LES) output from a convective atmospheric boundary layer (ABL) simulation of observations at the SWIFT tower near Lubbock, Texas on July 4, 2012. The dataset was used to assess the LES models for simulation of canonical convective ABL. The dataset can be used for comparison with other LES and computational fluid dynamics model outputs.

17 WIND ENERGY↗

LLNL - WRF-LES - Neutral - TTU

This dataset includes large-eddy simulation (LES) output from a neutrally stratified atmospheric boundary layer (ABL) simulation of observations at the SWIFT tower near Lubbock, Texas on Aug. 17, 2012. The dataset was used to assess LES models for simulation of canonical neutral ABL. The dataset can be used for comparison with other LES and computational fluid dynamics model outputs.

17 WIND ENERGY↗

ANL - WRF-LES - Neutral - TTU

This dataset includes large-eddy simulation (LES) output from a neutrally stratified atmospheric boundary layer (ABL) simulation of observations at the SWIFT tower near Lubbock, Texas on Aug. 17, 2012. The dataset was used to assess LES models for simulation of canonical neutral ABL. The dataset can be used for comparison with other LES and computational fluid dynamics model outputs.

17 WIND ENERGY↗

LANL - WRF-LES - Neutral - TTU

This dataset includes large-eddy simulation (LES) output from a neutrally stratified atmospheric boundary layer (ABL) simulation of observations at the SWIFT tower near Lubbock, Texas on Aug. 17, 2012. The dataset was used to assess LES models for simulation of canonical neutral ABL. The dataset can be used for comparison with other LES and computational fluid dynamics model outputs.

17 WIND ENERGY↗

NREL - SOWFA - Neutral - TTU

This dataset includes large-eddy simulation (LES) output from a neutrally stratified atmospheric boundary layer (ABL) simulation of observations at the SWIFT tower near Lubbock, Texas on Aug. 17, 2012. The dataset was used to assess LES models for simulation of canonical neutral ABL. The dataset can be used for comparison with other LES and computational fluid dynamics model outputs.

17 WIND ENERGY↗

LANL - Convective - TTU

This dataset includes large-eddy simulation (LES) output from a convective atmospheric boundary layer (ABL) simulation of observations at the SWIFT tower near Lubbock, Texas on July 4, 2012. The dataset was used to assess the LES models for simulation of canonical convective ABL. The dataset can be used for comparison with other LES and computational fluid dynamics model outputs.

17 WIND ENERGY↗

LANL - Neutral - TTU

This dataset includes large-eddy simulation (LES) output from a neutrally stratified atmospheric boundary layer (ABL) simulation of observations at the SWIFT tower near Lubbock, Texas on Aug. 17, 2012. The dataset was used to assess LES models for simulation of canonical neutral ABL. The dataset can be used for comparison with other LES and computational fluid dynamics model outputs.

17 WIND ENERGY↗

SMART CarbonSAFE Model

The modeling work for this project built upon previous work done for the CarbonSAFE Rocky Mountain Phase I. A geologic and dynamic model was built in Petrel version 2019.3 for the area of the Colorado Plateau near Price, Utah. It is located at the north end of the San Rafael Swell in a natural gas field called Drunkards Wash. The model is 61.5 km east-west and 53 km north to south with 123x106x21 cells, giving a cell dimension of 50x50 m2. The 21 layers in the Z direction are of varying thickness depending on the formation. The Carmel, the seal layer, has 3 layers and is about 200 meters thick around the injection well. The Navajo Sandstone, the principal reservoir, has 5 layers and is about 100 meters thick. The Kayenta has 5 layers and is roughly 50 meters thick and the Wingate, a secondary reservoir, has 5 layers and is 120 meters thick. The base of the model is the Chinle Formation with 3 layers and about 120 meters of thickness..

Carbon Dioxide↗

ANL - Convective - TTU

This dataset includes large-eddy simulation (LES) output from a convective atmospheric boundary layer (ABL) simulation of observations at the SWIFT tower near Lubbock, Texas on July 4, 2012. The dataset was used to assess the LES models for simulation of canonical convective ABL. The dataset can be used for comparison with other LES and computational fluid dynamics model outputs.

17 WIND ENERGY↗

ANL - Neutral - TTU

This dataset includes large-eddy simulation (LES) output from a neutrally stratified atmospheric boundary layer (ABL) simulation of observations at the SWIFT tower near Lubbock, Texas on Aug. 17, 2012. The dataset was used to assess LES models for simulation of canonical neutral ABL. The dataset can be used for comparison with other LES and computational fluid dynamics model outputs.

17 WIND ENERGY↗