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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Situational Awareness of Grid Anomalies (SAGA)

The modern power industry becomes more vulnerable to cyber events due to the growing interconnectivity, interdependence, and complexity of the electric power grid. High-fidelity modeling and simulation tools that support the preventative risk analysis on potential cyber-relevant events is essential for ensuring the situational awareness of the system operator as it provides an inexpensive and risk-free environment to test the system responses under various cyber-relevant events and hereby can support research on cyber anomaly detection, optimal protective resource allocation, and mitigation measures. In this webinar, we will share NREL's cybersecurity research capabilities by highlighting the development of a scalable cyber-physical event test bed and demonstration with real hardware in the loop. The developed cyber-physical event test bed is backboned by an integrated transmission, distribution, and communication dynamic co-simulation framework and a plug-and-play cyber event generation module. It is designed to be modular and compatible with parallel computing, and thereby supports large-scale system simulations at an affordable computation cost. The test bed can capture millisecond-to-minutes dynamic frequency and voltage responses under cyber events from the bulk transmission system to the active distribution systems and distributed energy resources at the grid edge.

co-simulation↗
DOE OSTI2023

The Structural Evaluation Test Unit (SETU) Benchmark Problem Statement

A series of extensively instrumented tests was performed on the Structural Evaluation Test Unit in the early 1990s. The purpose of these tests was to determine the response of a minimally designed cask to impacts that were more severe than the design basis impact. This test series provides an excellent opportunity for benchmarking explicit dynamic finite element analysis programs for behaviors that may be experienced by casks during regulatory and extra-regulatory impact events. This report provides the parameters of the test unit, the locations of instrumentation, the locations of inspection points, and the parameters of the four tests that were conducted. A companion report provides the results of the tests.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

EXCHANGE Campaign Degradation (ECD): Understanding Decomposition Dynamics Across Mid-Atlantic and Great Lakes Coastal Ecosystems

The EXploration of Coastal Hydrobiogeochemistry Across a Network of Gradients and Experiments (EXCHANGE) Degradation Experiment (EXCHANGE-D) is an in situ experiment designed to assess organic matter decomposition rates across coastal terrestrial-aquatic interfaces (TAIs), from coastal uplands through transition zones to wetlands. Through a network of partner scientists and coastal sites, we are testing how environmental gradients shape decomposition and carbon dynamics across terrestrial-aquatic interfaces. Using standardized tea bag substrates deployed across a network of diverse coastal sites, we compare decomposition rates at different fresh- and salt-water TAIs to develop transferable knowledge that improves the representation of organic matter degradation in coastal ecosystem models. For more information, please see https://compass.pnnl.gov/FME/EXCHANGE. This is Version 1 of the data package, which includes: ecd_README.pdf flmd.csv dd.csv ecd_soil_weom_L2.csv ecd_soil_ph_conductivity_L2.csv ecd_soil_gwc_L2.csv ecd_soil_teabag_degradation_L2.csv ecd_readme.pdf

coastal soils↗
DOE OSTI2025

Entanglement properties of SU(2) gauge theory

Understanding how isolated quantum systems thermalize is central to both fundamental physics and the development of quantum technologies. In this Perspective, we present recent and new results on thermalization in nonabelian gauge theory from exact real-time simulations of two-dimensional lattice models. We discuss tests of the eigenstate thermalization hypothesis, entanglement entropy dynamics, the absence of persistent non-thermal states, spectral signatures, and measures of quantum complexity. Our new results include a two-step thermalization process in localized regions and the role of higher gauge field representations. These findings suggest that thermalization in gauge theories may offer a test case for quantum advantage.

information theory and computation↗
DOE OSTI2026

Neural operator transformers capture bifurcating drift-wave turbulence in fusion plasma simulations

Self-consistent modeling of turbulence-driven transport is critical for optimizing confinement in magnetically confined fusion plasmas, such as tokamaks and stellarators. In particular, capturing the long-term co-evolution of turbulence, flow, and background plasma profiles remains computationally challenging. Direct numerical simulation of these multiscale, highly nonlinear processes is often demanding and impractical for real-time control or design optimization. To address this bottleneck, we investigate transformer-based neural operator partial differential equation surrogates for emulating the dynamics of drift-wave turbulence bifurcation mediated by zonal flows, using the modified Hasegawa–Wakatani (MHW) model as a prototypical system. We find that the finetuned neural operator model has excellent performance in capturing the multi-spatiotemporal-scales of MHW turbulence bifurcation and is robust to testing on rare and out-of-distribution dynamics. Specifically, we demonstrate that a single unified model accurately predicts both quasi-steady-state turbulence and a wide range of dynamical transition processes, such as nonlinear saturation, spontaneous suppression of turbulence, and the emergence of macroscopic zonal flows, over time horizons vastly exceeding the local turbulence correlation time. This computationally efficient approach establishes a strong foundation for fast, AI-based modeling of complex, multiscale phenomena in magnetized fusion plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

The Structural Evaluation Test Unit (SETU) Benchmark Test Results

A series of extensively instrumented tests was performed on the Structural Evaluation Test Unit in the early 1990s. The purpose of these tests was to determine the response of a minimally designed cask to impacts that were more severe than the design basis impact. This test series provides an excellent opportunity for benchmarking explicit dynamic finite element analysis programs for behaviors that may be experienced by casks during regulatory and extra-regulatory impact events. This report provides the results of the four tests that were conducted. It is meant to go along with a companion report that defines the benchmark problem and gives the locations for the instrumentation and inspection points.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

A Large-Scale Hardware Experiment Demonstration of Operating High Inverter-Based Resource Power Systems With Grid-Forming Inverters

This paper presents experimental hardware results from a microgrid system as the penetration level of grid-forming (GFM) inverters increases. The experiment aims to showcase the advantages of GFM inverters in enhancing system stability and to investigate the operational challenges in systems relying entirely on inverter-based resources (IBRs). Five test scenarios are devised to progressively increase GFM inverter penetration levels: 0% (S1), 19% (S2), 37% (S3), 68% (S4), and 100% (S5). To ensure consistency, identical loading conditions and dynamic events are applied across all scenarios. The conducted tests include load step changes, output variation of grid-following (GFL) inverters during islanded mode, transition operations (such as synchronization to the grid and islanding), and rateof- change-of-frequency (ROCOF) and voltage jump tests during grid-connected mode. Key findings from the tests are summarized as follows: (1) Scenario S1 proved most challenging for load steps, and GFL variations because of insufficient GFM capacity, leaving the diesel generator unable to handle transient ridethrough; (2) Scenario S5 was the most difficult for transition operations, because the lack of a diesel generator to maintain stiff bus voltage resulted in unexpected reactive power flows during synchronization, causing the point of common coupling (PCC) breaker to trip; (3) Scenarios S4 and S5 were particularly challenging for ROCOF tests because of minimal system inertia, leading to large transients that triggered breaker trips; and (4) Scenario S4 exhibited the strongest voltage recovery capability because of the presence of the diesel generator and a higher number of GFM inverters, both of which possess the highest capacity for reactive power injection.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

A New Distributed Model-Free Control Strategy to Diminish Distribution System Voltage Violations

This paper proposes a new distributed model-free control (MFC) strategy for dynamic voltage control to diminish distribution systems' voltage violations. The objective is to maintain all critical load bus voltages within the acceptable ANSI Range A (+/- 5% of nominal). The distributed MFC strategy, which only requires local voltage measurements from designated load buses, controls online the reactive power generation of available synchronous generator (SG)-based and photovoltaic (PV)-based distributed generators (DGs). The distributed MFC strategy is computationally efficient and does not require modelling of the different system components and disturbances. Time-domain dynamic simulations are conducted for the 21-bus test distribution system fed by multiple DGs to verify the performance of the proposed MFC strategy, and the results are compared against the conventional model-based microgrid voltage stabilizer (MGVS) control strategy. The simulation results show that the distributed MFC strategy provides minimal voltage violations and achieves the dynamic voltage stability of the system under diverse disturbances.

Hatipoglu, Kenan↗
DOE OSTI2024

Predicted Fracture Tendency of Naturally Occurring Aluminum Surface Coatings under Tensile Loading

Naturally occurring coatings on aluminum metal, such as its oxide or hydroxide, serve to protect the material from corrosion. Understanding the conditions under which these coatings mechanically fail is therefore expected to be an important aspect of predictive models for aluminum component lifetimes. To this end, we develop and apply a molecular dynamics (MD) modeling framework for conducting tension tests that is capable of isolating factors governing the mechanical strength as a function of coating chemistry, defect morphology, and variables associated with the loading path. We consider two representative materials, including γ-Al 2 O 3 and γ-Al(OH) 3 (i.e., oxide and hydroxide), both of which form readily as aluminum surface coatings. Our results indicate that defects have a significant bearing on the strength of aluminum oxide, with grain boundaries serving to reduce the strain at failure from ε zz = 0.300 to 0.219, relative to perfect single crystal. Our simulations also predict that porosity lowers the elastic stiffness and yield strength of the oxide. Relative to perfect crystal, we find porosity factors of 5%, 10% and 20% decrease the yield stress by 26%, 36% and 53%, respectively. MD predicts that perfect hydroxide and oxide single crystal have respective strains at failure of 0.08 and 0.31 under tensile uniaxial strain loading, and that the corresponding yield stresses are respectively 1.6 and 11.1 GPa. These data indicate that the hydroxide is substantially more susceptible to mechanical failure than the oxide. Our results, coupled with literature findings that indicate hot and humid conditions favor formation of hydroxide and defective oxide coatings, indicate the potential for a complicated dependence of aluminum corrosion susceptibility and stress corrosion cracking on aging history.

36 MATERIALS SCIENCE↗
DOE OSTI2024

An Evaluation of Dynamical Downscaling Methods Used to Project Regional Climate Change

In the past decade, dynamical downscaling using “pseudo-global-warming” (PGW) techniques has been applied frequently to project regional climate change. Such techniques generate signals by adding mean global climate model (GCM)-simulated climate change signals in temperature, moisture, and circulation to lateral and surface boundary conditions derived from reanalysis. An alternative to PGW is to downscale GCM data directly. This technique should be advantageous, especially for simulation of extremes, since it incorporates the GCM's full spectrum of changing synoptic-scale dynamics in the regional solution. Here, we test this assumption, by comparing simulations in Europe and Western North America. We find that for warming and changes in temperature extremes, PGW often produces similar results to direct downscaling in both regions. For mean and extreme precipitation changes, PGW generally also performs surprisingly well in many cases. Moisture budget analysis in the Western North America domain reveals why. Large fractions of the downscaled hydroclimate changes arise from mean changes in large-scale thermodynamics and circulation, that is, increases in temperature, moisture, and winds, included in PGW by design. The one component PGW may have difficulty with is the contribution from changes in synoptic-scale variability. When this component is large, PGW performance could be degraded. Global analysis of GCM data shows there are regions where it is large or dominant. Hence, our results provide a road map to identify, through GCM analyses, the circumstances when PGW would not be expected to accurately regionalize GCM climate signals.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Investigation of the yielding transition in concentrated colloidal systems via rheo-XPCS

We probe the microstructural yielding dynamics of a concentrated colloidal system by performing creep/recovery tests with simultaneous collection of coherent scattering data via X-ray Photon Correlation Spectroscopy (XPCS). This combination of rheology and scattering allows for time-resolved observations of the microstructural dynamics as yielding occurs, which can be linked back to the applied rheological deformation to form structure–property relations. Under sufficiently small applied creep stresses, examination of the correlation in the flow direction reveals that the scattering response recorrelates with its predeformed state, indicating nearly complete microstructural recovery, and the dynamics of the system under these conditions slows considerably. Conversely, larger creep stresses increase the speed of the dynamics under both applied creep and recovery. The data show a strong connection between the microstructural dynamics and the acquisition of unrecoverable strain. By comparing this relationship to that predicted from homogeneous, affine shearing, we find that the yielding transition in concentrated colloidal systems is highly heterogeneous on the microstructural level.

42 ENGINEERING↗
DOE OSTI2026

Models and Algorithms for Equilibrium Analysis of Mixed-Material Nucleic Acid Systems

Dynamic programming algorithms within the NUPACK software suite enable analysis of equilibrium base-pairing properties for complex and test tube ensembles containing arbitrary numbers of interacting nucleic acid strands. Currently, calculations are limited to single-material systems that are either all-RNA or all-DNA. Here, to enable analysis of mixed-material systems that are critical for modern applications in vitro, in situ, and in vivo, we develop physical models and dynamic programming algorithms that allow the material of the system to be specified at nucleotide resolution. Free energy parameter sets are constructed for both RNA/DNA and RNA/2'OMe-RNA mixed-material systems by combining available empirical mixed-material parameters with single-material parameter sets to enable treatment of the full complex and test tube ensembles. New dynamic programming recursions account for the material of each nucleotide throughout the recursive process. For a complex with N nucleotides, the mixed-material dynamic programming algorithms maintain the O(N 3 ) time complexity of the single-material algorithms, enabling efficient calculation of diverse physical quantities over complex and test tube ensembles (e.g., complex partition function, equilibrium complex concentrations, equilibrium base-pairing probabilities, minimum free energy secondary structure(s), and Boltzmann-sampled secondary structures) at a cost increase of roughly 2.0-3.5×. The results of existing single-material algorithms are exactly reproduced when applying the new mixed-material algorithms to single-material systems. Accuracy is significantly enhanced using mixed-material models and algorithms to predict RNA/DNA and RNA/2'OMe-RNA duplex melting temperatures from the experimental literature as well as RNA/DNA melt profiles from new experiments. In conclusion, mixed-material analyses can be performed online using the NUPACK web app (www.nupack.org) or locally using the NUPACK Python module.

2′OMe-RNA↗
DOE OSTI2020

Comparison of Surface Tension Generation Methods in Smoothed Particle Hydrodynamics for Dynamic Systems

Developing robust numerical models of dynamic surface tension dominated multiphase systems is an ongoing challenge, especially in scenarios with large density and viscosity ratios. This is critical to the design and understanding of various physical and engineering systems, such as fluidized beds, fuel injectors, and drug delivery schemes. Much of the computational work in surface tension dominated multiphase flows has employed the continuum surface force method (CSF) of Brackbill et al. [1], which recasts surface tension from a surface force to a volumetric force that can be imposed in the vicinity of an interface. The CSF method produces accurate results across a variety of systems, however it relies on the identication of surface normals, which can be unreliable under certain conditions. Alternative methods of simulating surface tension have been proposed. Here the advantages and disadvantages of the CSF method in comparison to a pairwise forces (PF) method proposed by Tartakovsky and Panchenko [2] are explored. The CSF and PF methods are used in a smoothed particle hydrodynamics (SPH) framework to model dynamic systems. Results are compared to existing test cases from the literature and to analytic solutions derived from fundamental normal mode behavior of bubbles and droplets. A physical system for which the PF method is more stable and physically appropriate than the CSF method is identied.

smoothed particle hydrodynamics, multiphase flow↗
DOE OSTI2021

Recycled polyethylene and crumb rubber composites modified asphalt with improved aging resistance and thermal stability

Crumb rubbers (CR) and recycled Polyethylene (PE) are commonly used as modifiers to improve the asphalt properties. However, the addition of these modifiers individually may result in phase separation of PE and inadequate degradation of CR, which may not simultaneously satisfy the rheological and aging resistance of the binder blends. In this study, a type of CR/PE composites manufactured through melt extrusion procedures was adopted for the improvement of the modified binder blends. The modified binder blends after short-term (RTFO) and long-term (PAV) aging were collected for dynamic shear rheometer and bending beam rheometer tests. FTIR tests were also used to quantify the aging resistance, while differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) were applied to evaluate the thermal behaviors of the binder blends. Optical microscopy tests were used to explore the modification mechanism and visualize the microstructures of original and PAV aged binder blends. Test results showed that CR/PE composites could significantly improve the aging resistance of the binder blends. The dispersed PE particles still interacted with each other and meanwhile worked with the diffused rubbery phase, which could form a similar TPEs network. The oxidation and high-temperature aging of such binder blends would strengthen the network that resisted the aging severity of the binder blends. Furthermore, it was also revealed that CR/PE modified asphalt could sustain more heat before a rapid degradation and the well-dispersed PE particles could interact with the diffused CR particles to form a network to resist aging.

02 PETROLEUM↗
DOE OSTI2021

Influence of Heave Plate Topology on Reaction Force

In this study, we explore the role of heave plate topology on fluid reaction forces using three, representative shapes: a hexagonal flat plate, a hexagonal conic with an open top, and the same with a closed top that encloses a fluid mass. We force each test article sinusoidally in a quiescent tank and decompose the reaction force using forms of the Morison equation for phase-invariant and phase-dependent parameterizations. We find that a flat plate generates 5.3 % more fluid reaction force than the open conic topology, and 21.4% more than the enclosed conic. Asymmetric topologies generate asymmetric reaction forces, but the magnitude of asymmetry is limited by nearly symmetric fluid inertia forces, which dominate over drag for these test articles. Additionally, we observe asymmetric vortex dynamics for the flat plate when the Keulegan-Carpenter number is between 1 and 2, accompanied by a shift in the phase of the peak force by of the oscillation period. As a consequence of this shift, the hydrodynamic coefficients estimated from the phase-dependent Morison equation decomposition are asymmetric, suggesting that phase-dependent representations may not provide physical insight in some hydrodynamic regimes.

added mass↗
DOE OSTI2026

Study of the interaction between $Ξ$ baryons and light mesons via femtoscopy at the LHC

Meson-baryon systems with strangeness content provide a unique laboratory for investigating the strong interaction and testing theoretical models of hadron structure and dynamics. In this work, the measured correlation functions for oppositely charged $Ξ$-K and $Ξ$ − 𝜋 pairs obtained in high-multiplicity pp collisions at $\sqrt{𝑠}$ = 13 TeV at the LHC are presented. For the first time, high-precision data on the $Ξ$-K interaction are delivered at small relative momenta. The scattering lengths, extracted via the Lednický–Lyuboshits expression of the pair wavefunction, indicate a repulsive and a shallow attractive strong interaction for the $Ξ$-K and $Ξ$ − 𝜋 systems, respectively. The $Ξ$(1620) and $Ξ$(1690) states are observed in the $Ξ$ − 𝜋 correlation function and their properties, mass and width, are determined. These measurements are in agreement with other available results. Such high-precision data can help refine the understanding of these resonant states, provide stronger constraints for chirally motivated potentials, and address the key challenge of describing the coupled-channel dynamics that may give rise to molecular configurations .

Femtoscopy↗
DOE OSTI2024

Vacancy-Mediated Increases in Brine–Salt Surface Energies

Salt formations have been explored for the permanent isolation of spent nuclear fuel based on their high thermal conductivity, self-healing nature, and low hydraulic permeability to brine flow. Vacancy defect concentrations in salt complicate fracture mechanics not driven by dislocation dynamics and can influence the resulting surface structure. Classical molecular dynamic simulations were used to simulate tensile testing of salt crystals (halite) with vacancy defect concentrations of up to 0.5 defects/nm 3 . Increasing defect concentrations resulted in a decrease in ultimate tensile strength and fracture surface energies, driven by increased surface roughness rather than changes in the amount of surface area. Brine–salt surface energies of the fractured surfaces were 0.22 to 0.26 J/m 2 , significantly higher than values reported for atomically flat (100) surfaces at the same brine composition. This change in surface energy increased the brine–salt dihedral angle by ~27°. The dihedral angle threshold for percolation in salt is 60°, and a 27° increase due to rough fracture surfaces identifies a reduction in porosity percolation and a decrease in salt permeability. Therefore, bedded salt and salt domes may be even more stable than those previously predicted from dihedral angle calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Role of the Mineral in the Self-Healing of Cracks in Human Enamel

Human enamel is an incredibly resilient biological material, withstanding repeated daily stresses for decades. The mechanisms behind this resilience remain an open question, with recent studies demonstrating a crack-deflection mechanism contributing to enamel toughness and other studies detailing the roles of the organic matrix and remineralization. Here, we focus on the mineral and hypothesize that self-healing of cracks in enamel nanocrystals may be an additional mechanism acting to prevent catastrophic failure. To test this hypothesis, we used a molecular dynamics (MD) approach to compare the fracture behavior of hydroxyapatite (HAP) and calcite, the main minerals in human enamel and sea urchin teeth, respectively. In this work, we find that cracks heal under pressures typical of mastication by fusion of crystals in HAP but not in calcite, which is consistent with the resilience of HAP enamel that calcite teeth lack. Scanning transmission electron microscopy (STEM) images of structurally intact ("sound") human enamel show dashed-line nanocracks that resemble and therefore might be the cracks healed by fusion of crystals produced in silico . The fast, self-healing mechanism shown here is common in soft materials and ceramics but has not been observed in single crystalline materials at room temperature. The crack self-healing in sound enamel nanocrystals, therefore, is unique in the human body and unique in materials science, with potential applications in designing bioinspired materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗