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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Insights into distorted lamellar phases with small-angle scattering and machine learning

Lamellar phases are essential in various soft matter systems, with topological defects significantly influencing their mechanical properties. In this report, we present a machine-learning approach for quantitatively analyzing the structure and dynamics of distorted lamellar phases using scattering techniques. By leveraging the mathematical framework of Kolmogorov–Arnold networks, we demonstrate that the conformations of these distorted phases – expressed as superpositions of complex waves – can be reconstructed from small-angle scattering intensities. Through the contour analysis of wave field phase singularities, we obtain the statistics of the spatial distribution of topological defects. Furthermore, we establish that the temporal evolution of these defects can be derived from the time-dependent traveling wave field, informed by the dispersion relation of spectral components. This method opens new avenues for investigating the dynamics of distorted lamellar phases using various dynamic scattering techniques such as neutron spin echo and X-ray photon correlation spectroscopy. These findings enhance our microscopic understanding of how defects influence the physical properties of lamellar materials, with implications for both equilibrium and non-equilibrium states in general lamellar systems.

36 MATERIALS SCIENCE↗
DOE OSTI2022

rmap: An R package to plot and compare tabular data on customizable maps across scenarios and time

`rmap` is an R package that allows users to easily plot tabular data (CSV or R data frames) on maps without any Geographic Information Systems (GIS) knowledge. Maps produced by `rmap` are `ggplot` objects and thus capitalize on the flexibility and advancements of the `ggplot2` package and all elements of each map are thus fully customizable. Additionally `rmap` automatically detects and produces comparison maps if the data has multiple scenarios or time periods as well as animations for time series data. Advanced users can load their own shapefiles if desired. `rmap` comes with a range of pre-built color palettes but users can also provide any `R` color palette or create their own as needed. Four different legend types are available to highlight different kinds of data distributions. The input spatial data can be both gridded or polygon data. `rmap` is desgined in particular for comparing spatial data across scenarios and time periods and comes preloaded with standard country, state, and basin maps as well as custom maps compatible with the Global Change Analysis Model (GCAM) spatial boundaries. `rmap` has a growing number of users and its products have been used in multiple multisector dynamics publications as well as a required dependency in other R packages such as `rfasst` and `metis`. `rmap's` automatic processing of tabular data using pre-built map selection, difference map calculations, faceting, and animations offers unique functionality which makes it a powerful and yet simple tool for users looking to explore multi-sector, multi-scenario data across space and time.

58 GEOSCIENCES↗
DOE OSTI2025

Quasinormal Coupled-Mode Analysis of Dynamic Gain in Exceptional-Point Lasers

One of the key features of lasers operating near exceptional points (EPs) is that the gain medium can support an oscillating population inversion above a pump threshold, leading to self-modulated laser dynamics. This unusual behavior opens up new possibilities for frequency comb generation and temporal modulation. However, the dynamic population inversion couples signals with different frequencies and is difficult to capture using conventional temporal coupled-mode theory (TCMT) based on stationary saturable gain. In this paper, we develop a perturbative coupled-mode analysis framework to capture the spatial-temporal dynamics of near-EP lasers. By decomposing discrete frequency generation into multiple excitations of resonant modes, our analysis establishes a minimal physical model that translates the local distribution of dynamic population-inversion into a resonant modal interpretation of laser gain. Furthermore, this work enables the exploration of unique properties in this self-time-modulated systems, such as time-varying scattering and nonreciprocal transmission.

Absorption↗
DOE OSTI2026

Toward Intelligent Multimodal Holography for Real-Time Chemical Imaging of Dynamic Ion Separation

Molecular-level visualization of ion transport and separation dynamics in complex environments is crucial for advancing energy systems, water purification, and critical materials recovery. Achieving this requires imaging platforms that combine structural sensitivity, chemical specificity, and real-time operation. Digital off-axis holography (DOAH) provides high-throughput, label-free quantitative phase imaging but inherently lacks chemical selectivity. Integrating DOAH with complementary spectroscopic channels such as fluorescence or hyperspectral imaging introduces the needed molecular specificity, while also creating challenges in multimodal data fusion, synchronization, and computational throughput. Artificial intelligence offers a powerful route to address these limitations by uniting physics-based reconstruction with data-driven interpretation. In this Perspective, we outline a framework for intelligent multimodal holography and demonstrate its potential using a preliminary AI-driven test case. Raw DOAH holograms of lanthanide solutions subjected to magnetic field gradients were analyzed using multi-agent AI workflows that autonomously selected reconstruction tools, extracted NMF components, and generated scientific claims consistent with true paramagnetic and diamagnetic behavior. This demonstration shows how AI-enabled reasoning can deliver real-time chemical–structural interpretation directly from raw holograms. Together, these advances define a path toward adaptive, intelligent holography platforms capable of supporting in situ chemical separations, dynamic ion transport analysis, and next-generation interfacial science.

Ricchiuti, Giovanna↗
DOE OSTI2020

Evolution of Metastable Structures at Bimetallic Surfaces from Microscopy and Machine-Learning Molecular Dynamics

The restructuring of interfaces plays a crucial role in materials science and heterogeneous catalysis. Bimetallic systems, in particular, often adopt very different compositions and morphologies at surfaces compared to the bulk. For the first time, we reveal a detailed atomistic picture of long-time scale restructuring of Pd deposited on Ag using microscopy, spectroscopy, and novel simulation methods. By developing and performing accelerated machine-learning molecular dynamics followed by an automated analysis method, we discover and characterize previously unidentified surface restructuring mechanisms in an unbiased fashion, including Pd-Ag place exchange and Ag pop-out as well as step ascent and descent. Remarkably, layer-by-layer dissolution of Pd into Ag is always preceded by an encapsulation of Pd islands by Ag, resulting in a significant migration of Ag out of the surface and a formation of extensive vacancy pits within a period of microseconds. These metastable structures are of vital catalytic importance, as Ag-encapsulated Pd remains much more accessible to reactants than bulk-dissolved Pd. We report our approach is broadly applicable to complex multimetallic systems and enables the previously intractable mechanistic investigation of restructuring dynamics at atomic resolution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Continental United States climate projections based on thermodynamic modification of historical weather

Abstract Regional climate models can be used to examine how past weather events might unfold under different climate conditions by simulating analogue versions of those events with modified thermodynamic conditions (i.e., warming signals). Here, we apply this approach by dynamically downscaling a 40-year sequence of past weather from 1980–2019 driven by atmospheric re-analysis, and then repeating this 40-year sequence a total of 8 times using a range of time-evolving thermodynamic warming signals that follow 4 80-year future warming trajectories from 2020–2099. Warming signals follow two emission scenarios (SSP585 and SSP245) and are derived from two groups of global climate models based on whether they exhibit relatively high or low climate sensitivity. The resulting dataset, which contains 25 hourly and over 200 3-hourly variables at 12 km spatial resolution, can be used to examine a plausible range of future climate conditions in direct reference to previously observed weather and enables a systematic exploration of the ways in which thermodynamic change influences the characteristics of historical extreme events.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

An Open-Source Frequency-Domain Model for Floating Wind Turbine Design Optimization

A new frequency-domain dynamics model has been developed that uses open-source components to efficiently represent a complete floating wind turbine system. The model, called RAFT (Response Amplitudes of Floating Turbines), incorporates quasi-static mooring reactions, strip-theory and potential-flow hydrodynamics, blade-element-momentum aerodynamics, and linear turbine control. The formulation is compatible with a wide variety of support structure configurations and no manual or time-domain preprocessing steps are required, making RAFT very practical in design and optimization workflows. The model is applied to three reference floating wind turbine designs and its predictions are compared with results from time-domain OpenFAST simulations. There is good agreement in mean offsets as well the statistics and spectra of the dynamic response, verifying RAFT’s general suitability for floating wind analysis. Follow-on work will include verification of potential-flow and turbine-control features and application to optimization problems.

17 WIND ENERGY↗
DOE OSTI2025

First constraints on a pixelated universe in light of DESI observations

Pixelated dark energy is a string theory scenario with a quantum mechanically stable cosmological constant. The number of pixels that make up the universe slowly increases, manifesting as a time-dependent source of dark energy. DESI has recently reported evidence for dynamical dark energy that fits within this framework. In light of this, we perform the first cosmological analysis of the pixelated model. We find that the simplest model where the pixel growth rate is constant is able to accommodate the data, providing a marginally better fit than Λ⁢ CDM; and we show that models where the pixel growth rate is increasing and of order the Hubble constant today could provide better fits. Our analysis helps to clarify the features of UV constructions of dark energy necessary to accommodate the data.

dark energy↗
DOE OSTI2023

GPU acceleration of Swendsen–Wang dynamics

When simulating a lattice system near its critical temperature, local algorithms for modeling the system’s evolution can introduce very large autocorrelation times into sampled data. Here, this critical slowing down places restrictions on the analysis that can be completed in a timely manner of the behavior of systems around the critical point. Because it is often desirable to study such systems around this point, a new algorithm must be introduced. Therefore, we turn to cluster algorithms, such as the Swendsen–Wang algorithm and the Wolff clustering algorithm. They incorporate global updates which generate new lattice configurations with little correlation to previous states, even near the critical point. We look to accelerate the rate at which these algorithm are capable of running by implementing and benchmarking a parallel implementation of each algorithm designed to run on GPUs under NVIDIA’s CUDA framework. A 17 and 90 fold increase in the computational rate was, respectively, experienced when measured against the equivalent algorithm implemented in serial code.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Insights into Methodologies and Stochastic Optimization of Thermal Energy Storage-Coupled Advanced Reactor Systems: A Comparison of Methods for Accessing Long-Term Sub-System Sizing Adequacy

This paper investigates the potential of coupling Thermal Energy Storage (TES) with Advanced Reactors (ARs) to address uncertainties posed by climate change in deep decarbonized power systems. The TES Use-case Team at Idaho National Laboratory (INL) has examined the potential of storing thermal energy from ARs during low demand periods and optimizing discharge during peak-priced hours, in both steady-state and transient conditions. Building on this groundwork, this study bridges the gaps in optimal sizing of the sub-system of TES-coupled AR systems using Risk Analysis Virtual Environment (RAVEN) and Holistic Energy Resource Optimization Network (HERON), INL?s framework for grid optimization. By applying this framework, we present statistically-robust optimal charge, discharge including balance of plant (BOP), and storage sizing for the High-Temperature Gas-Cooled Reactor (HTGR) with 203 MWth output. To this end, we generated synthetic price samples for 30 years using 2018 ? 2021 real-time market data from ERCOT, PJM and MISO. Our results reveals that the TES-coupled HTGR system is highly effective in maximizing revenue from electricity sales. We observed a substantial increase of 40 % in ERCOT and a noteworthy 15 % increase in PJM and MISO when compared to the conventional BOP without TES. This improvement is achieved through regionally-tailored sub-system sizing, which ranges from 398 to 416 MWth for the discharge system and 610 to 1029 MWth for the TES. We find that the average electricity price directly impacts the overall economics, while price volatility influences storage size. Additional sensitivity analyses were performed to access the impact of key assumptions on system economics and sizing, differentiating the optimization window (i.e., 24 ? 219 hours of chronological observations) and by imposing storage continuity condition in tracking TES cycles. We observed that at the 120-hour of the optimization window, a reasonable balance between computation time and accuracy was achieved. Our analysis also highlights the significance of conducting multi-day cycle analysis (> 120-hour) for TES to capture interaction between electricity prices and storage dynamics, providing a comprehensive understanding of TES behavior that AR developers should integrate into their plant designs.

25 ENERGY STORAGE↗
DOE OSTI2021

Coordination and control – limits in standard representations of multi-reservoir operations in hydrological modeling

Abstract. Major multi-reservoir cascades represent a primary mechanism for dealing with hydrologic variability and extremes within institutionally complex river basins worldwide. These coordinated management processes fundamentally reshape water balance dynamics. Yet, multi-reservoir coordination processes have been largely ignored in the increasingly sophisticated representations of reservoir operations within large-scale hydrological models. The aim of this paper is twofold, namely (i) to provide evidence that the common modeling practice of parameterizing each reservoir in a cascade independently from the others is a significant approximation and (ii) to demonstrate potential unintended consequences of this independence approximation when simulating the dynamics of hydrological extremes in complex reservoir cascades. We explore these questions using the Water Balance Model, which features detailed representations of the human infrastructure coupled to the natural processes that shape water balance dynamics. It is applied to the Upper Snake River basin in the western US and its heavily regulated multi-reservoir cascade. We employ a time-varying sensitivity analysis that utilizes the method of Morris factor screening to explicitly track how the dominant release rule parameters evolve both along the cascade and in time according to seasonal high- and low-flow events. This enables us to address aim (i) by demonstrating how the progressive and cumulative dominance of upstream releases significantly dampens the ability of downstream reservoir rules' parameters to influence flow conditions. We address aim (ii) by comparing simulation results with observed reservoir operations during critical low-flow and high-flow events in the basin. Our time-varying parameter sensitivity analysis with the method of Morris clarifies how independent single-reservoir parameterizations and their tacit assumption of independence leads to reservoir release behaviors that generate artificial water shortages and flooding, whereas the observed coordinated cascade operations avoided these outcomes for the same events. To further explore the role of (non-)coordination in the large deviations from the observed operations, we use an offline multi-reservoir water balance model in which adding basic coordination mechanisms drawn from the observed emergency operations is sufficient to correct the deficiencies of the independently parameterized reservoir rules from the hydrological model. These results demonstrate the importance of understanding the state–space context in which reservoir releases occur and where operational coordination plays a crucial role in avoiding or mitigating water-related extremes. Understanding how major infrastructure is coordinated and controlled in major river basins is essential for properly assessing future flood and drought hazards in a changing world.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

A Novel Measurement of the Anomalous Muon Spin Precession Frequency in the Muon $g-2$ Experiment at Fermilab

The Muon $g-2$ Experiment operated at Fermi National Accelerator Laboratory (FNAL, or Fermilab) between 2018 and 2023 to produce the world's most precise measurement of the muon's \textit{anomalous magnetic moment}, $a_\mu = \frac{g_\mu - 2}{2}$, which expresses the relative deviation in the muon's $g$-factor from a baseline theoretical expectation that $g_\mu = 2$. In the Standard Model of particle physics, $g_\mu > 2$ and hence $a_\mu > 0$ by a calculable amount that depends on all possible interactions between the muon and all other fundamental particles, including any potentially undiscovered interactions beyond the Standard Model. For this reason, measurements of the electron anomaly $a_e$ and later the muon anomaly $a_\mu$ have helped guide the development of the Standard Model since the inception of quantum field theory, and the measured value of $a_\mu$ provides a valuable constraint for new hypotheses that extend the Standard Model. As of 2006, the leading measurement and Standard Model prediction for $a_\mu$ exhibited tension at the level of about three standard deviations, motivating an improved measurement at Fermilab that could test the tension more precisely. The experiment functions by storing a polarized beam of $\mu^+$ in a uniform magnetic field, which simultaneously induces circular motion and spin precession. As the stored muons undergo the Michel decay $\mu^+ \to e^+ + \nu_e + \bar{\nu}_\mu$, mediated by the parity-violating weak interaction, the rest-frame $e^+$ emission direction is correlated with the parent $\mu^+$ spin orientation. Boosting into the laboratory frame encodes this correlation in the decay $e^+$ energy, which is higher when the emission (i.e. $\mu^+$ spin direction) is aligned with the $\mu^+$ momentum, and lower when opposite. Detectors then count the rate of high-energy decay $e^+$, which modulates at the difference between the $\mu^+$ revolution and spin precession frequencies. This observed frequency, called the \textit{anomalous spin precession frequency} $\omega_a$, is directly proportional to $a_\mu$. The extraction of $\omega_a$ proceeds by fitting the time spectrum of detected $e^+$, which requires precise modeling of the $\omega_a$ oscillation as well as any perturbations from beam dynamics and detector acceptance. Using the $\omega_a$ analysis presented in this work, based on Runs 4 -- 6 of the Muon $g-2$ Experiment at Fermilab, we find that $a_\mu = 0.001\,165\,920\,738(162)$ with a relative uncertainty of 139 parts per billion.

Barrett, Tyler [Cornell U.]↗
DOE OSTI2024

Utilization of an Advanced Sensor network to determine fuel heating value and Real-Time net unit heat rate during transient operation

Coal-fired utility boilers are being increasingly used as variable electricity generation to resolve the imbalance in the energy market from the expansion of intermittent renewable energy. The frequent transient operation required to meet residual energy demand has created a challenge for coal-fired units to operate efficiently. This work utilizes an advanced sensor network (ASN) to calculate net unit heat rate (NUHR) of a coal-fired boiler in real time through combustion calculations and statistical correlations to provide the tools for optimizing dynamic operation. Real-time heating values that were necessary to determine fuel input energy to calculate accurate NUHR were found using both fundamental and data-driven methods. Real-time NUHR shows distinct shifts that reflect changes in process conditions that will improve the ability to optimize transient operation. Data-driven heating value correlations had 24% lower root mean square error (RMSE) than the fundamental combustion calculation approach when compared to daily retrospective proximate analysis. Furthermore, the data-driven method RMSE improved by 7% with the inclusion of ASN data. Future work is to validate by comparing unit performance with and without the inclusion of NUHR as a control parameter for the dynamic neural network.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Integration of LIBS with Machine Learning for Real-Time Monitoring of Feedstock in H 2 Gasification Applications

This project, funded by the U.S. Department of Energy (DOE) – Office of Fossil Energy under Award Number DE-FE0032177, aimed to assess the feasibility of an integrated Laser-Induced Breakdown Spectroscopy (LIBS) system with advanced machine learning (ML) models for real-time characterization and potential control of hydrogen gasifiers running on waste materials as feedstocks. This was a multidisciplinary effort that encompassed the acquisition and standardized analysis of individual and blended feedstocks—comprising biomass, coal waste, and plastic waste, followed by the development of a dynamic LIBS bench system for material sample analysis and development of predictive ML models. Comprehensive laboratory testing enabled the creation of a robust elemental dataset that served as the foundation for ML model training. Techniques such as Random Forest, Gradient Boosting, Support Vector Regression, and Neural Networks were employed to predict key feedstock properties, including higher heating value (HHV), moisture content, thermal conductivity, and ash composition with high accuracy. The results were validated against experimental data and demonstrated strong potential for real-time application in gasifier control systems. The project concluded with a study on the integration of the LIBS+ML approach for gasifier control and a techno-economic analysis of the implementation of the approach into hydrogen (H 2 ) gasification systems. Dissemination of results was carried out at a DOE meeting. This work establishes a scalable framework for automated, in-line feedstock quality assessment, offering significant implications for process optimization and emissions reduction in hydrogen production.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

Imaginary admittance and charge transfer resistance correlate to the physiological status of Shewanella oneidensis cultures in real time

Monitoring microbial activity is essential for industrial and environmental applications to proceed efficiently. To minimize time and labor-intensive monitoring, a new paradigm is required for in-situ, real time analysis. Since bioconversion of organics is accomplished by microorganisms through the oxidation of feedstocks linked to the reduction of electron acceptors, microorganisms can be viewed as electrochemical catalysts. In this respect, cell membranes have an electrical potential, which is analogous to a conventional capacitor and linked dynamically to cellular activity. Here, in this study, we demonstrate the use of electrochemical impedance spectrometry (EIS) and cyclic voltammetry (CV) for monitoring microbial metabolic activity in real time, in-situ. The effect of organic electron donors as a function of concentration to the physiological status of strains of Shewanella oneidensis was determined. In this study, the pyomelanin overproducer (S. oneidensis ΔhmgA) and the pyomelanin deficient mutant (S. oneidensis ΔmelA) were chosen due to different surface electrochemical characteristics along with differences in oxygen utilization efficiency. CV, relative admittance, phase shift and permittivity changed with growth status and correlated with electron flow from organic carbon sources and terminal electron acceptor availability. This work offers a novel and inexpensive approach to real time monitoring with the advantage of abundant data.

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

Time-resolved biphase signatures of quadratic nonlinearity observed in coupled Alfvén eigenmodes on the DIII-D tokamak

We report the detection of nonstationary quadratic coupling between toroidicity-induced Alfvén eigenmodes (TAEs) on sub-millisecond time scales. Identification of phase coherency between multiple TAEs and nonlinearly generated modes is facilitated by wavelet-based bicoherence analysis of time-series from inductive coils, taken from a DIII-D discharge heated by neutral beam injection (NBI). Characterization of nonlinear three-wave interaction is inferred by stationary local bispectrum phase (biphase) and confirmed via bandpass filtering. Biphase dynamics associated with prominent bispectral features are well-resolved in time and consistent with transient quadratic coupling. Onset and duration of nonlinearity are correlated with enhanced amplitude of participating TAEs; coincident changes in amplitude are observed for modes at difference frequency |f TAE,1 - f TAE,2 |.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗