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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Attosecond-pump attosecond-probe x-ray spectroscopy of liquid water

Attosecond-pump/attosecond-probe experiments have long been sought as the most straightforward method for observing electron dynamics in real time. Although there has been much success with overlapped near-infrared femtosecond and extreme ultraviolet attosecond pulses combined with theory, true attosecond-pump/attosecond-probe experiments have been limited. Here we used a synchronized attosecond x-ray pulse pair from an x-ray free-electron laser to study the electronic response to valence ionization in liquid water through all x-ray attosecond transient absorption spectroscopy (AX-ATAS). Our analysis showed that the AX-ATAS response is confined to the subfemtosecond timescale, eliminating any hydrogen atom motion and demonstrating experimentally that the 1b 1 splitting in the x-ray emission spectrum is related to dynamics and is not evidence of two structural motifs in ambient liquid water.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Autoregressive long-horizon prediction of plasma edge dynamics *

Accurate modeling of scrape-off layer (SOL) and divertor-edge dynamics is vital for designing plasma-facing components in fusion devices. High-fidelity edge fluid/neutral codes such as SOLPS-ITER capture SOL physics with high accuracy, but their computational cost limits broad parameter scans and long transient studies. We present transformer-based, autoregressive surrogates for efficient prediction of 2D, time-dependent plasma edge state fields. Trained on SOLPS-ITER spatiotemporal data for the KSTAR tokamak, the surrogates forecast electron temperature, electron density, and radiated power over extended horizons. We evaluate model variants trained with increasing autoregressive horizons (1–100 steps) on short- and long-horizon prediction tasks. Longer-horizon training systematically improves rollout stability and mitigates error accumulation, enabling stable predictions over hundreds to thousands of steps and reproducing key dynamical features such as the motion of high-radiation regions. Measured end-to-end wall-clock times show the surrogate is orders of magnitude faster than SOLPS-ITER, enabling rapid parameter exploration. Prediction accuracy degrades when the surrogate enters physical regimes not represented in the training dataset, motivating future work on data enrichment and physics-informed constraints. Overall, this approach provides a fast, accurate surrogate for computationally intensive plasma edge simulations, supporting rapid scenario exploration, control-oriented studies, and progress toward real-time applications in fusion devices.

autoregressive deep learning↗
DOE OSTI2023

Light-activated microtubule-based two-dimensional active nematic

We assess the ability of two light responsive kinesin motor clusters to drive dynamics of microtubule-based active nematics: opto-K401, a processive motor, and opto-K365, a non-processive motor. Measurements reveal an order of magnitude improvement in the contrast of nematic flow speeds between maximally- and minimally-illuminated states for opto-K365 motors when compared to opto-K401 construct. For opto-K365 nematics, we characterize both the steady-state flow and defect density as a function of applied light. We also examine the transient behavior as the system switches between steady-states upon changes in light intensities. Although nematic flows reach a steady state within tens of seconds, the defect density exhibits transient behavior for up to 10 minutes, showing a separation between small-scale active flows and system-scale structural states. Furthermore, our work establishes an experimental platform that can exploit spatiotemporally-heterogeneous patterns of activity to generate targeted dynamical states.

42 ENGINEERING↗
DOE OSTI2022

Charge Transfer Dynamics in MoSe 2 /hBN/WSe 2 Heterostructures

Ultrafast charge transfer processes provide a facile way to create interlayer excitons in directly contacted transition metal dichalcogenide (TMD) layers. More sophisticated heterostructures composed of TMD/hBN/TMD enable new ways to control interlayer exciton properties and achieve novel exciton phenomena, such as exciton insulators and condensates, where longer lifetimes are desired. In this work, we experimentally study the charge transfer dynamics in a heterostructure composed of a 1 nm thick hBN spacer between MoSe 2 and WSe 2 monolayers. We observe the hole transfer from MoSe 2 to WSe 2 through the hBN barrier with a time constant of 500 ps, which is over 3 orders of magnitude slower than that between TMD layers without a spacer. Furthermore, we observe strong competition between the interlayer charge transfer and intralayer exciton–exciton annihilation processes at high excitation densities. Here, our work opens possibilities to understand charge transfer pathways in TMD/hBN/TMD heterostructures for the efficient generation and control of interlayer excitons.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Dynamic Boundary Layer Simulation of Pulsed CO 2 Electrolysis on a Copper Catalyst

Pulsed electrolysis has been demonstrated to improve the faradaic efficiency (FE) to C 2+ products during the electrochemical reduction of CO 2 over a Cu catalyst, but the nature of this enhancement is poorly understood. Herein, we developed a time-dependent continuum model of pulsed CO 2 electrolysis on Cu in 0.1 M CsHCO 3 that faithfully represents the experimentally observed effects of pulsed electrolysis. This work shows that pulsing results in dynamic changes in the pH and CO 2 concentration near the Cu surface, which lead to an enhanced C 2+ FE as a consequence of repeatedly accessing a transient state of heightened pH and CO 2 concentration at high cathodic overpotential. Using these insights, a variety of pulse shapes were explored to establish operating conditions that maximize the rate of C 2+ product formation and minimize the rates of H 2 and C 1 product formation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Projected Changes to Extreme Precipitation Along North American West Coast From the CESM Large Ensemble

Precipitation events along the North American (NA) west coast are strongly modulated by atmospheric rivers, yet the mechanisms of their influences on the probability distributions of precipitation events are not well studied. Simulations from the Community Earth System Model (CESM) large ensemble under global warming are investigated using a moisture budget conditioned onto precipitation events for the recurrence intervals ranging from 0.1 to 50 years. In the midlatitudes, the increases in precipitation intensity and accumulation for all events over the NA west coast are predominantly controlled by moisture increases. In contrast, changes in the subtropical precipitation distributions in southwestern NA are associated with moisture increases and duration decreases for all events, with additional dynamical amplification for the heaviest precipitation events. These interpretations from the conditional moisture budget are more consistent with future projection of atmospheric rivers than the conventional mean and transient decomposition of the moisture budget.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Revealing core-valence interactions in solution with femtosecond X-ray pump X-ray probe spectroscopy

Abstract Femtosecond pump-probe spectroscopy using ultrafast optical and infrared pulses has become an essential tool to discover and understand complex electronic and structural dynamics in solvated molecular, biological, and material systems. Here we report the experimental realization of an ultrafast two-color X-ray pump X-ray probe transient absorption experiment performed in solution. A 10 fs X-ray pump pulse creates a localized excitation by removing a 1 s electron from an Fe atom in solvated ferro- and ferricyanide complexes. Following the ensuing Auger–Meitner cascade, the second X-ray pulse probes the Fe 1 s → 3 p transitions in resultant novel core-excited electronic states. Careful comparison of the experimental spectra with theory, extracts +2 eV shifts in transition energies per valence hole, providing insight into correlated interactions of valence 3 d with 3 p and deeper-lying electrons. Such information is essential for accurate modeling and predictive synthesis of transition metal complexes relevant for applications ranging from catalysis to information storage technology. This study demonstrates the experimental realization of the scientific opportunities possible with the continued development of multicolor multi-pulse X-ray spectroscopy to study electronic correlations in complex condensed phase systems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Time-of-flight detection of terahertz phonon-polariton

A polariton is a fundamental quasiparticle that arises from strong light-matter interaction and as such has attracted wide scientific and practical interest. When light is strongly coupled to the crystal lattice, it gives rise to phonon-polaritons (PPs), which have been proven useful in the dynamical manipulation of quantum materials and the advancement of terahertz technologies. Yet, current detection and characterization methods of polaritons are still limited. Traditional techniques such as Raman or transient grating either rely on fine-tuning of external parameters or complex phase extraction techniques. To overcome these inherent limitations, we propose and demonstrate a technique based on a time-of-flight measurement of PPs. We resonantly launch broadband PPs with intense terahertz fields and measure the time-of-flight of each spectral component with time-resolved second harmonic generation. The time-of-flight information, combined with the PP attenuation, enables us to resolve the real and imaginary parts of the PP dispersion relation. We demonstrate this technique in the van der Waals magnets NiI 2 and MnPS 3 and reveal a hidden magnon-phonon interaction. We believe that this approach will unlock new opportunities for studying polaritons across diverse material systems and enhance our understanding of strong light-matter interaction.

condensed-matter physics↗
DOE OSTI2020

Transient Second-Order Nonlinear Media: Breaking the Spatial Symmetry in the Time Domain via Hot-Electron Transfer

Second-order optical effects are essential to the active control of light and the generation of new spectral components. The inversion symmetry, however, prevents achieving a bulk $χ^{(2)}$ response, limiting the portfolio of the second-order nonlinear materials. Here, we demonstrate subpicosecond conversion of a statically passive dielectric to a transient second-order nonlinear medium upon the ultrafast transfer of hot electrons. Induced by an optical switching signal, the amorphous dielectric with vanishing intrinsic $χ^{(2)}$ develops dynamically tunable second-order nonlinear responses. By taking the second-harmonic generation as an example, we show that breaking the inversion symmetry through hot-electron dynamics can be leveraged to address the critical need for all-optical control of second-order nonlinearities in nanophotonics. We report our approach can be generically adopted in a variety of material and device platforms, offering a new class of complex nonlinear media with promising potentials for all-optical information processing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Performance Evaluation of Multi-Vendor Grid-Forming Inverters for Grid-Connected Operation Through Hardware Experimentation: Preprint

Existing real-world projects of GFM inverters that operate in parallel to power grids typically are sized between dozens and a few hundreds Megawatt (MW) scale according to a recent NERC GFM inverter white paper. These large systems are often difficult to evaluate prior to deployments because of their large size. The performance of smaller GFM inverters (dozens to a few hundreds MW) that operate parallel with power grids (distribution systems) is even less understood. There is an opportunity to better understand these systems through hardware testing under controlled laboratory conditions. Therefore, this paper presents the functional performance evaluation tests of multiple (three) commercial GFM inverters when they operate in parallel with the grid through hardware experiments. The goal of these tests is to explore the GFM inverters' functionalities and dynamic response when in parallel with power grids to eventually develop universal specifications for GFM inverters. Both steady state (changing the inverter's frequency and voltage droop) and transient (adding step change in grid's frequency/voltage) tests are performed for each GFM inverter with the same testing circuit and testing protocol. The experimental results indicate the bench-marked performance that: 1) the GFM inverters can be dispatched through frequency and voltage droop intercepts to output the target power when paralleled to the grid; 2) the GFM inverters automatically respond to system frequency and voltage events to output the needed power, however, the GFM inverters all show stability issues when absorbing reactive power from the grid.

grid-forming inverters↗
DOE OSTI2026

Unitary Qubit Lattice Algorithms for Plasma Physics

This final technical report summarizes research conducted under DOE Award DE-SC0021653 to develop unitary Quantum Lattice Algorithms for modeling electromagnetic wave propagation and scattering in complex media, including plasmas. The project developed and validated quantum-inspired formulations of Maxwell's equations that preserve unitary evolution and can be evaluated on classical high-performance computing systems while providing a foundation for future quantum-computing implementations. Major accomplishments include the development of two- and three-dimensional algorithms for electromagnetic scattering; scalable, distributed-memory implementations demonstrated on the Perlmutter supercomputer; formulations for nonlinear lossless fluid dynamics and cold, lossless, inhomogeneous magnetized plasmas; and an explicit quantum algorithm for a time-discretized Lorenz model. Simulations reproduced a range of characteristic wave phenomena, including transient effects that are not readily apparent in conventional frequency-domain studies, demonstrating the effectiveness of the proposed approach for modeling complex electromagnetic and plasma systems. The work establishes a unified theoretical and computational framework for quantum and quantum-inspired simulation and provides a foundation for future implementation on fault-tolerant quantum systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Assessing High Burnup U-19Pu-10Zr Fuel Performance against Historical and Modeled Behavior

Advancing the deployment of sodium-cooled fast reactors (SFRs) requires thorough testing of metallic fuel pins under accident conditions to establish safe operational limits of high burnup fuel. To conduct transient testing, a comprehensive understanding of steady-state fuel behavior obtained through both experimental characterization and accurate predictive capabilities is needed. This study comparatively assesses the steady-state irradiation performance of two high burnup U-19Pu-10Zr fuel pins, DP-36 and DP-40, irradiated under prototypic fast reactor conditions in preparation for planned safety testing at the Transient Reactor Test Facility. Since DP-40 was designated for use in the test and DP-36 serves as its sibling pin, non-destructive, engineering-scale post-irradiation examinations (PIE) were conducted on both pins while destructive examinations were performed exclusively on DP-36. The results were then assessed against historical performance data from similar fuel pins irradiated in the Experimental Breeder Reactor-II. Additionally, the steady-state irradiation of each pin was modeled using the BISON fuel performance code to assess the accuracy of current modeling capabilities in predicting the baseline irradiation behavior. Non-destructive examinations included neutron radiography to measure fuel column elongation, gamma scanning to verify pin integrity and fission product migration, and profilometry to assess dimensional changes. Benchmarking against existing PIE data revealed consistent patterns in axial fuel column growth and cladding diametral strain, though both pins exhibited longer low-density “fluff” structures, which can have implications for core reactivity and source term calculations. Destructive examinations on DP-36 included fission gas release analysis and sectioning for optical microscopy, which showed more complex constituent redistribution patterns than the traditionally accepted 3-ring model. The axial evolution of fractional areas and porosities of each of the redistributed zones were quantified and presented. Modeling comparisons showed agreement in fractional fission gas release but consistently overestimated axial and radial swelling and disagreed with measured axial porosity patterns. These conservative overpredictions suggested that the pins would appear closer to failure or operational limits at the start of transient tests, potentially leading to higher strain accumulation during the transient. While conservative estimates provide safety margins, they can negatively impact fuel economics. A review of the swelling models identified areas for improvement in the gaseous swelling, solid swelling, and fuel hot-pressing models when applied to ternary fuel. The results of this study highlight the critical importance of conducting pre-test characterization on both test and sibling pins to accurately capture steady-state fuel behavior, providing a precise baseline for post-test evaluations and essential inputs for transient modeling of the planned experiments. The analysis also revealed significant data gaps that require further investigation to enhance the understanding and prediction of fuel swelling and pore dynamics. Collecting comprehensive data across different irradiation conditions, burnup levels, and fuel compositions are essential for refining existing models and developing mechanistic models for both binary and ternary metallic fuels, ultimately improving the integration of modeling and experimental approaches in accident testing.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Thermal feedback coupling in a transient Monte Carlo high-order/low-order scheme

Transient simulations of nuclear systems face the computational challenge of resolving both space and time during reactivity changes. A common strategy for tackling this issue is to split the neutron flux into shape and amplitude functions. This split can be solved with high- order/low-order methods. While this multi-fidelity approach has traditionally been reserved for deterministic methods, it is also possible to implement in Monte Carlo as an efficient alternative to Dynamic Monte Carlo. This work implements the frequency transform method with thermal feedback in high-order/low-order Monte Carlo by blending static coupling methods such as single-batch Monte Carlo, with a simple thermal-fluids calculation. While previous work focused solely on prescribed transients, the addition of time-dependent thermal-fluids allows transients to be self-propagating. Tests were run in a fluids-initiated transient to showcase the basic functionalities of this methodology. Preliminary results behave as expected, paving the way for studying more sophisticated thermal-fluids coupling methods. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Passive Islanding Detection of Inverter-Based Resources in a Noisy Environment

Islanding occurs when a load is energized solely by local generators and can result in frequency and voltage instability, changes in current, and poor power quality. Poor power quality can interrupt industrial operations, damage sensitive electrical equipment, and induce outages upon the resynchronization of the island with the grid. This study proposes an islanding detection method employing a Duffing oscillator to analyze voltage fluctuations at the point of common coupling (PCC) under a high-noise environment. Unlike existing methods, which overlook the noise effect, this paper mitigates noise impact on islanding detection. Power system noise in PCC measurements arises from switching transients, harmonics, grounding issues, voltage sags and swells, electromagnetic interference, and power quality issues that affect islanding detection. Transient events like lightning-induced traveling waves to the PCC can also introduce noise levels exceeding the voltage amplitude by more than seven times, thus disturbing conventional detection techniques. The noise interferes with measurements and increases the nondetection zone (NDZ), causing failed or delayed islanding detection. The Duffing oscillator nonlinear dynamics enable detection capabilities at a high noise level. The proposed method is designed to detect the PCC voltage fluctuations based on the IEEE standard 1547 through the Duffing oscillator. For the voltages beyond the threshold, the Duffing oscillator phase trajectory changes from periodic to chaotic mode and sends an islanded operation command to the inverter. The proposed islanding detection method distinguishes switching transients and faults from an islanded operation. Experimental validation of the method is conducted using a 3.6 kW PV setup.

Energy & Fuels↗
DOE OSTI2024

Small-Signal Stability Impacts of Load and Network Dynamics on Grid-Forming Inverters

This paper presents several stability analyses for grid-forming inverters and synchronous generators considering the dynamics of transmission lines and different load models. Load models are usually of secondary importance compared to generation source models, but as the results show, they play a crucial role in stability studies with the introduction of inverter-based resources. Given inverter control time scales, the implications of considering or neglecting electromagnetic transients of the network are very relevant in the stability assessments. In this paper, we perform eigenvalue analyses for inverter-based resources and synchronous machines connected to a load and explore the effects of multiples models under different network representations. We explore maximum loadability of inverter-based resources and synchronous machines, while analyzing the effects of load and network dynamic models on small-signal stability. The results show that the network representation plays a fundamental role in the stability of the system of different load models. The resulting stability regions are significantly different depending on the source and load model considered.

grid forming inverters↗
DOE OSTI2021

Sparse Control Synthesis for Uncertain Responsive Loads With Stochastic Stability Guarantees

In this report, recent studies have demonstrated the potential of flexible loads in providing frequency response services, predominantly due to their availability and cost-effectiveness. However, uncertainty and variability in various weather-related and end-use behavioral factors often impact the reliability of demand-side control performance. This work addresses this problem with the design of a demand-side control to achieve frequency response under load uncertainties. Our approach involves modeling the load uncertainties via stochastic processes that appear as both multiplicative and additive in the power system dynamics. Recently developed mean square exponential stability (MSES) results for continuous-time linear stochastic systems are applied to pose the control synthesis problem which results in an LMI-based optimization problem. Additional costs and constraints are added to the LMI-based controller synthesis to ensure MSES, improve closed-loop transient performance, maximize tolerable uncertainties, and promote sparsity in the controller. Additionally, the fundamental limitations between the tolerable uncertainties and control efforts while ensuring MSES are discussed. Further, the control synthesis problem for the case of the full-state measurement is generalized to the case of partial-state measurements. The proposed control synthesis is illustrated on an IEEE 39 bus system with rigorous studies to demonstrate the role of sparsity, closed-loop transient performance, tolerable uncertainties, and control efforts while ensuring MSES and achieving frequency response.

42 ENGINEERING↗
DOE OSTI2020

Regional MJO Modulation of Northwest Pacific Tropical Cyclones Driven by Multiple Transient Controls

The Madden–Julian Oscillation (MJO) is widely acknowledged for its ability to modulate Northwest Pacific tropical cyclones (TCs), but a complete understanding of the underlying mechanisms remains uncertain. Beyond established effects of the MJO's relative humidity envelope, other dynamical factors have recently been invoked via new genesis potential indices and high-resolution modeling studies. Here we revisit the ability of the MJO to modulate West Pacific TCs through a quasi-explicit cyclone downscaling strategy driven by composited observations, paired later with a genesis index to investigate regional drivers of modulation. In this work, we reveal two distinct spatial modes of TC modulation in which the MJO's dynamic and thermodynamic effects act in tandem to increase TCs. In the South China Sea, for instance, shear reductions associated with the MJO's circulation lead to increasing potential intensity ahead of the arrival of a positive humidity anomaly, all of which combine for an extended period of cyclogenesis favorability.

58 GEOSCIENCES↗