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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 937 records · Page 52

Search for HH → bbτ⁺τ⁻ Using Run 3 Scouting Data Analyze b-tagging and tau-tagging Performance with Unified Particle Transformer

B-tagging and tau-tagging performances play an important role in the search for the rare event HH → bbτ⁺τ⁻. A transformer-based neural network, Unified Particle Transformer, is applied for both tagging tasks, and Run 3 proton–proton collision scouting data at center-of-mass energy of 13.6 TeV is used. The scouting data stream accepts events at a much higher rate compared to traditional triggers, but stores only the objects reconstructed in the trigger, no low-level detector information. Therefore, existing taggers trained for the offline event reconstruction cannot be used. Analysis of the SoftMax plots, ROC/AUC curves, confusion matrix, accuracy and losses are used to evaluate model performance. Specifically, the tagging efficiency of the signal and misidentification probability across multiple background processes are compared for varying working points. Different training samples with distinct distributions of jet flavors are utilized and related model performances are analyzed. Interpretability methods, such as Integrated Gradients, may further be applied to study the input features’ influence on the model’s decisions, providing insights into potential improvements.

Chen, Blair [Purdue U., West Lafayette; Fermilab]↗

Multibody for Everybody (M4E): A Symbolic Dynamics Modeling Tool with Applications in Simulation, Control, and Optimization

Developing the analytical model of a multibody system is often the initial step in control and optimization. The analytical model (equations of motion) describes a system’s time evolution under specified forcing conditions. Although developing these equations is easy for simple systems, this process becomes more complex for systems composed of multiple bodies. Deriving equations of motion for complex multibody systems requires specialized expertise in multibody dynamics, is time-consuming, and is susceptible to error. To address this issue, this paper presents an open-source, easy-to-use, systematic framework to derive symbolic equations of motion in both Python and MATLAB using the joint coordinate formulation. This formulation results in a set of ordinary differential equations that use the minimum set of coordinates needed to model a system. The symbolic representation provides better insight into the influence of design parameters on system performance, facilitates sensitivity analysis and parameter studies, and supports direct implementation of control and optimization routines. The tool enables numerical simulation for specified parameter sets, is modular for straightforward integration with other tools and libraries, and allows incorporation of hydrodynamics, mooring, and other external forces. The result is a reproducible, extensible pipeline for modeling, simulation, and design of complex multibody systems. The proposed tool is versatile and can be applied to domains such as robotics, control, and design. In addition, we integrated external libraries that provide capabilities for modeling offshore systems such as underwater robots and marine energy converters.

16 TIDAL AND WAVE POWER↗

X-ray Diffraction Studies of Single-Crystal Materials for Broad Battery Applications

Single-crystal materials have attracted growing interest in battery research due to their well-defined crystallographic orientation, absence of grain boundaries, and enhanced mechanical and electrochemical stability. This Review provides a comprehensive overview of recent advances in the synthesis, structural evolution, and performance optimization of single-crystal electrodes and solid electrolytes. Particular focus is placed on the application of advanced X-ray diffraction (XRD) techniques, including operando synchrotron diffraction, reciprocal space mapping, and Bragg coherent diffraction imaging, which have enabled in-depth investigations of lattice strain, cation disorder, phase transitions, and defect formation. Representative case studies across Ni-rich layered oxides, spinel-type cathodes, and garnet-based electrolytes are examined to highlight the structural features unique to single crystals. Additionally, the synergistic integration of XRD with machine learning, tomography, and spectroscopy is discussed as a powerful direction for real-time analysis and predictive modeling. Furthermore, these insights provide critical guidance for the rational design of high-performance single-crystal materials in lithium, sodium, and solid-state battery systems.

25 ENERGY STORAGE↗

Dynamics of ENSO Phase–Locking and Its Biases in Climate Models

Here, the contributions of different oceanic feedbacks to the El Niño–Southern Oscillation (ENSO) phase-locking are examined by deriving ENSO dynamics based on the recharge-discharge framework. In observations, the significant winter preference of the ENSO peak is determined by a strong seasonal modulation of SST growth rate, which is controlled by the zonal advective and thermodynamic feedbacks. However, the majority of climate models fail to simulate ENSO phase-locking because the contribution of zonal advective feedback to the seasonal modulation of the SST growth rate is much smaller compared to observations. The weak annual cycle of the SST-current coupling coefficient and small annual mean of the negative climatological zonal SST gradient are two factors contributing to the weak-biased seasonality of zonal advective feedback. Further analysis shows that the Niño3.4 SSTA has better phase-locking performance than Niño3 SSTA in the climate models due to the better simulation of zonal advection feedback in the Niño3.4 region.

54 ENVIRONMENTAL SCIENCES↗

A unified catalogue-level reanalysis of stage-III cosmic shear surveys

ABSTRACT Cosmological parameter constraints from recent galaxy imaging surveys are reaching percent-level accuracy on the effective amplitude of the lensing signal, S8. The upcoming Legacy Survey of Space and Time (LSST) of the Vera C. Rubin Observatory will produce subpercent level measurements of cosmological parameters, providing a milestone test of the ΛCDM model. To supply guidance to the upcoming LSST analysis, it is important to understand thoroughly the results from different recent galaxy imaging surveys and assess their consistencies. In this work, we perform a unified catalogue-level reanalysis of three cosmic shear data sets: the first year data from the Dark Energy Survey (DES-Y1), the 1000 deg2 data set from the Kilo-Degree Survey (KiDS-1000), and the first year data from the Hyper Suprime-Cam Subaru Strategic Program (HSC-Y1). We utilize a pipeline developed and rigorously tested by the LSST Dark Energy Science Collaboration to perform the reanalysis and assess the robustness of the results to analysis choices. We find the S8 constraint to be robust to two different small-scale modelling approaches, and varying choices of cosmological priors. Our unified analysis allows the consistency of the surveys to be rigorously tested, and we find the three surveys to be statistically consistent. Due to the partially overlapping footprint, we model the cross-covariance between KiDS-1000 and HSC-Y1 approximately when combining all three data sets, resulting in a 1.6–1.9 per cent constraint on S8 given different assumptions on the cross-covariance.

79 ASTRONOMY AND ASTROPHYSICS↗

Experimental and statistical study on the effect of process parameters on the quality of continuous fiber composites made via additive manufacturing

Ongoing research in additive manufacturing towards structural and industrial application has led to the use of commingled roving as a manufacturing feedstock for printing high fiber volume fraction composites. The prospects of using this technology for high performance applications necessitates the need for a comprehensive experimental investigation into the effects of processing parameters on the quality of an additively manufactured composite printed from commingled roving feedstock. Here, in this work, transverse flexure and void fraction matrix pyrolysis testing are both performed to evaluate composite quality. The transverse flexure test is a testing approach that evaluates the quality of the interfacial fiber-matrix bond while the void fraction test estimates the void content in the printed composite. A full observational study consisting of 27 different test combinations is done to investigate the effects of three different process parameters namely, temperature, pressure, and print speed across three different levels. Composite samples were made from commingled roving of E-glass and amorphous PET using an in-house built continuous fiber composite digital manufacturing system. Least squares regression analysis is performed to study the main, interaction and quadratic effects of process parameters. A statistical regression model having an R2 adjusted value of 80.1% is generated from the transverse flexure study, which is used to explain main and interaction effects and also predict performance. Response surface plots are also generated and are used to optimize process parameters which can subsequently be of help in scaling up composite manufacturing. Results show that all three process parameters are highly statistically significant at the 0.01 level of significance. Pressure * Temperature and Pressure * Printspeed are significant interaction terms. Pressure plays a weightier role when print speed is increased or temperature is decreased as it closes more voids that would ordinarily have been introduced because of drop in polymer melt viscosity. Micrographic analysis is also performed.

36 MATERIALS SCIENCE↗

Multiscale modeling of hydrogenolysis of ethane and propane on Ru(0001): Implications for plastics recycling

Plastic waste presents an environmental threat. Chemical recycling via hydrogenolysis can convert plastic waste into waxes, lubricants, and fuels. Among catalysts, Ru stands out for its superior activity and selectivity. The chemistry of light alkane hydrogenolysis can help understanding plastics deconstruction. Here, we perform first-principles calculations, develop descriptor-based relations, and conduct microkinetic modeling and analysis on ethane and propane. Predictions are in excellent agreement with experimental data. We identify a similar cracking pattern for both hydrocarbons entailing a deeply dehydrogenated species with the removal of four hydrogen atoms: CHCH*+* → 2CH* for ethane and CH 3 CCH*+2* → CH 3 C* + CH* for propane. We find that the rate-determining step is the C-C cracking for ethane and the first dehydrogenation from the terminal carbon (CH 3 CH 2 CH 3 *+* → CH 3 CH 2 CH 2 *+H*) for propane. The vinyl species CH 2 CH* produced from propane cracking is responsible for whether a single or multiple cracking events occur and effectively controls the selectivity. Specifically, ethane formation in propane hydrogenolysis is suppressed at elevated temperatures due to over-cracking via multiple (two here) cracking events being preferred over hydrogenation and desorption of ethane from the catalyst. Our workflow and models provide a baseline for future studies on heavier hydrocarbons. Insights into recent experimental studies of polyethylene over Ru-based catalysts are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Computational materials assessment of the D/Li-stripping neutron source as a prototypical facility for fusion materials testing

As the US fusion materials community awaits the selection and design of a fusion prototypical neutron source (FPNS), a risk reduction exercise has been conducted to (i) provide an updated materials performance evaluation using state-of-the-art computational materials modeling, (ii) expand on legacy analysis based on pure Fe to other relevant fusion structural materials types, and (iii) ensure that materials response under FPNS operational conditions is consistent with referential fusion reactor conditions. The current paper describes the efforts undertaken to assemble a comprehensive computational methodology that includes neutronics, primary damage calculations, atomistic simulations of displacement cascades, chemical inventory evolution calculations, and a computational thermodynamic analysis of emerging phases during irradiation. Our work extends existing studies in pure Fe to reduced-activation ferritic/martensitic steels, tungsten, silicon carbide, and vanadium alloys. We focus on the single-beam deuteron/lithium-stripping neutron source behind the IFMIF-DONES concept, which we assess against ITER, two DEMO designs, and an ideal pure 14-MeV flux. Our analysis indicates that, within standard uncertainties inherent to the models employed, the DONES concept adequately captures fusion conditions in the four materials analyzed. Our work is intended as a comprehensive irradiation damage analysis of fusion-representative neutron sources, to be used for further neutron source evaluation and fusion facility operation.

Marian, Jaime [Univ. of California, Los Angeles, C↗

SANDD: A directional antineutrino detector with segmented 6 Li-doped pulse-shape-sensitive plastic scintillator

We present a characterization of a small (9-liter) and mobile 0.1% 6 Li-doped pulse-shape-sensitive plastic scintillator antineutrino detector called SANDD (Segmented AntiNeutrino Directional Detector), constructed for the purpose of near-field reactor monitoring with sensitivity to antineutrino direction. SANDD comprises three different types of module. A detailed Monte Carlo simulation code was developed to match and validate the performance of each of the three modules. The combined model was then used to produce a prediction of the performance of the entire detector. Analysis cuts were established to isolate antineutrino inverse beta decay events while rejecting large fraction of backgrounds. The neutron and positron detection efficiencies are estimated to be 34.8% and 80.2%, respectively, while the coincidence detection efficiency is estimated to be 71.7%, resulting in inverse beta decay detection efficiency of 20.0% ± 0.2%(stat.) ± 2.1%(syst.). Finally, the predicted directional sensitivity of SANDD produces an uncertainty of 20° in the azimuthal direction per 100 detected antineutrino events.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Enhance Low Level Temperature and Moisture Profiles Through Combining NUCAPS, ABI Observations, and RTMA Analysis

Thermodynamic information from low levels in the atmosphere is crucial for operational weather forecasts and meteorological researchers. The NOAA Unique Combined Atmospheric Processing System (NUCAPS) sounding products have been proven beneficial to fill the data gap between synoptic radiosonde observations (RAOBs). However, compared with the upper troposphere, the accuracy of NUCAPS soundings in the low levels still needs improvement. In this study, a deep neural network (DNN) is applied to fuse multiple data sources to enhance the NUCAPS temperature and moisture profiles in the lower atmosphere. The network is developed by combining satellite observations, including NUCAPS sounding retrievals and high resolution geostationary satellite observations from the Advanced Baseline Imager, and surface analysis from the Real-Time Mesoscale Analysis (RTMA) as inputs, while collocated soundings from ECMWF re-analysis version 5 are used as the benchmark for the training. The performance of the model is evaluated by using the independent testing data set, data from a different year, as well as collocated RAOBs, showing improvement to the temperature and moisture profiles by reducing the root-mean-squared-error (RMSE) by more than 30% in the lower atmosphere (from 700 hPa to surface) in both clear sky and partially cloudy conditions. A convective event from June 18, 2017 is presented to illustrate the application of the enhanced low level soundings on high impact weather events. The enhanced soundings from fused data capture the large surface-based convective available potential energy structures in the preconvection environment, which is very useful for severe storm nowcasting and forecasting applications.

54 ENVIRONMENTAL SCIENCES↗

Transient Modeling and Simulation of a Generic Stable Salt Reactor

A SAM system-level model of a generic stable salt reactor has been developed to investigate thermal-hydraulic behavior and safety performance under steady and transient conditions. The model integrates information generated from a reactor physics analysis using PROTEUS and PERSENT, and a computation fluid dynamics (CFD) analysis using STAR-CCM+. A loose, iterative coupling scheme between PROTEUS and SAM is implemented to calculate the equilibrium power and temperature distributions in the steady-state critical core condition. The converged steady-state model is then used in PERSENT to calculate the four reactivity feedback temperature coefficients (Doppler, fuel density, coolant density, and core radial expansion) and kinetic parameters that are needed in SAM to model the temperature feedback effects in transient simulations. Within the fully enclosed liquid fuel pins, natural convection is the dominant heat transfer mechanism. The STAR-CCM+ model of the fuel pin considers conjugate heat transfer from the liquid fuel salt to the pin cladding and external reactor coolant. The CFD results of the axial and radial temperature profiles are used to empirically determine an effective fuel salt thermal conductivity in the SAM fuel pin model so that the temperatures predicted by the SAM model match as closely as possible the CFD results. In the central region of the fuel pin, the effective thermal conductivity is as high as similar to 60 times the physical fuel salt thermal conductivity. The whole-plant SAM model is then used to simulate an unprotected station blackout transient. The results of this simulation showed that the large negative fuel axial expansion reactivity feedback reduces fission power to similar to 2.4% nominal power. The core is cooled by natural circulation, which removes heat in the core to the emergency heat removal system, and ultimately, to the ambient. However, peak fuel salt and cladding temperatures can potentially reach as high as 1500 K, albeit briefly, if the shutdown mechanism fails to operate.

stable salt reactor; transient simulations; system↗

Observing signals of spectral features in the cosmic-ray positrons and electrons from Milky Way pulsars

The Alpha Magnetic Spectrometer (AMS-02) has provided unprecedented precision measurements of the electron and positron cosmic-ray fluxes and the positron fraction spectrum. At the higher energies, sources as energetic local pulsars, may contribute to both cosmic-ray species. The discreteness of the source population, can result in features both on the positron fraction measurement and in the respective electron and positron spectra. For the latter, those would coincide in energy and would contrast predictions of smooth spectra as from particle dark matter. In this work, using a library of pulsar population models for the local part of the Milky Way, we perform a power-spectrum analysis on the cosmic-ray positron fraction. We also develop a technique to cross-correlate the electron and positron fluxes. We show that both such analyses, can be used to search statistically for the presence of spectral wiggles in the cosmic-ray data. For a significant fraction of our pulsar simulations, those techniques are already sensitive enough to give a signal for the presence of those features above the regular noise, with forthcoming observations making them even more sensitive. Lastly, by cross-correlating the AMS-02 electron and positron spectra, we find an intriguing first hint for a positive correlation between them, of the kind expected by a population of local pulsars.

79 ASTRONOMY AND ASTROPHYSICS↗

The WRF-Solar Ensemble Prediction System to Provide Solar Irradiance Probabilistic Forecasts

In this study, we introduce the recently developed WRF-Solar Ensemble System (WRF-Solar EPS) and a calibration method. The performances of forecast models are evaluated using the National Solar Radiation Data Base (NSRDB) observational analysis for day-ahead solar irradiance predictions. The results demonstrate that the ensemble forecast improves the quality of the forecasts by taking into account the uncertainty of each ensemble member. The Analog Ensemble (AnEn) calibration contributed to the reduction of positive bias and an overall improvement in the probabilistic attributes such as reliability and statistical consistency.

analog ensemble↗

Cryogenic Design and Thermal Analysis of EIC Central Detector (ePIC) Solenoid Magnet (MARCO)

The Electron Ion Collider (EIC) physics program utilizes a 2.0 T superconducting magnet at the heart of its ePIC detector system. This approximately 3.5 m long and 2.84 m diameter warm bore magnet has a 20 tons cold mass which is conduction-cooled using liquid helium at 4.5 K. A closed loop active thermosiphon system is chosen to facilitate the cooling and to maintain a minimum of 2 K temperature margin on the peak operating temperature (4.7 K) of the superconductor. Here, this paper presents the cryogenic design of the cooling system and the thermal analysis of the solenoid. A Computational fluid dynamics (CFD) model was developed to quantify the performance of the two–phase closed thermosiphon system and predict the temperature gradient on the cold mass.

Gopinath, Sandesh [Thomas Jefferson National Accel↗

Multiphysics Analysis of Li Cooled Divertor Substrate During Loss of Coolant Accident (LOCA)

In the ongoing study of potential designs for liquid metal (LM) plasma-facing components (PFCs), so-called “slow” and “fast” Li flow divertor concepts are under investigation. In the previous studies on design and analysis of the slow Li flow divertor and comparison with the fast Li flow divertor, the magnetohydrodynamics (MHD)/heat transfer effects of the Li flowing inside the substrate as a second coolant were comprehensively investigated under the normal steady-state operation conditions. Here, in the present study, the multiphysics analysis is extended to the unsteady abnormal divertor scenario where the Li layer on top of the substrate does not provide full coverage or even totally disappears for a certain period of time, so that the substrate becomes directly exposed to the incident high plasma heat flux. Such an unwanted event may happen regardless of the concept of the divertor and is worth detailed investigations, typically referred to as a loss of coolant accident (LOCA). To address this situation, a simplified scoping analysis is conducted first in 2-D, and then an integrated 3-D modeling is performed using a time-dependent multiphysics model in COMSOL Multiphysics that integrates LM MHD, heat transfer, and solid mechanics. The main goal is to evaluate conditions under which the major material limits, such as the maximum allowable temperature, stress, and displacement of the substrate, can still be met. It was shown that the maximum time over which the substrate of RAFM steel can retain structural integrity during the LOCA is around 0.2 ∼ 0.3 s. Any divertor concept that utilizes RAFM steel as a substrate material and liquid Li as a second coolant should take such a permitted time into consideration.

divertor↗

Grid-Supportive Loads - A New Approach to Increasing Renewable Energy in Power Systems

This paper demonstrates the potential of inverter-based loads to support grid reliability during power system transients thereby enabling reliable integration of renewable energy in power systems. Such loads are referred to in this paper as grid-supportive loads (GSLs). A new GSL model is developed that simulates the transient response capabilities that can be programmed in electronic loads. The model’s design enables it to be easily integrated in widely used commercial power system transient analysis software. Theoretical expressions are derived that explain the workings of the GSL model. The performance, numerical stability, and impact of the GSL model is validated on 9-bus and 2000-bus synthetic power system models using generator tripping and bus fault disturbances. Results on the 2000 bus system show that in the absence of frequency support from wind/solar generation resources, just 20% of loads with grid-supportive capabilities can improve frequency response by up to 2000 MW/0.1 Hz and reduce deviation in frequency at nadir by up to 60% compared to the situation when GSLs are absent. Power system reliability also improves under fault events. Here, it is further shown that GSLs can aid in integrating more renewable generation without degrading the overall transient response of the power system.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Demonstrating SolarPILOT’s Python API Through Heliostat Optimal Aimpoint Strategy Use Case

SolarPILOT is a software package that generates solar field layouts and characterizes the optical performance of concentrating solar power (CSP) tower systems. SolarPILOT was developed by the National Renewable Energy Laboratory (NREL) as a stand-alone desktop application but has also been incorporated into NREL’s1 System Advisor Model (SAM) in a simplified format. Prior means for user interaction with SolarPILOT have included the application’s graphical interface, the SAM routines with limited configurability, and through a built-in scripting language called “LK.” This paper presents a new, full-featured, Python-based application programmable interface (API) for SolarPILOT, which we hereafter refer to as CoPylot. CoPylot provides access to all SolarPILOT’s capabilities to generate and characterize power tower CSP systems seamlessly through Python. Supported capabilities include (i) creating and destroying a model instance with message reporting tools; (ii) accessing and setting any SolarPILOT variable including custom land boundaries for field layouts; (iii) programmatically managing receiver and heliostat objects with varied attributes for systems with multiple receiver or heliostat types; (iv) generating, assigning, and modifying solar field layouts including the ability to set individual heliostat locations, aimpoints, soiling rates, and reflectivity levels; (v) simulating solar field performance; (vi) returning detailed results describing performance of individual heliostats, the aggregate field, and receiver flux distribution; and, (vii) exporting Python-based model instances to multiple file formats. CoPylot enables Python users to perform detailed CSP tower analysis utilizing either the Hermite expansion technique (analytical) or the SolTrace ray-tracing engine. In addition to CoPylot’s functionality, Python users have access to the over 100,000 open-source libraries to develop, analyze, optimize, and visualize power tower CSP research. This enables CSP researchers to perform analysis that was previously not possible through SolarPILOT’s existing interfaces. This paper discusses the capabilities of CoPylot and presents a use case wherein we demonstrate optimal solar field aiming strategies.

41 EE - Solar Energy Technologies Office (EE-4S)↗

Machine Learning of All Mycobacterium tuberculosis H37Rv RNA-seq Data Reveals a Structured Interplay between Metabolism, Stress Response, and Infection

Mycobacterium tuberculosis is one of the most consequential human bacterial pathogens, posing a serious challenge to 21st century medicine. A key feature of its pathogenicity is its ability to adapt its transcriptional response to environmental stresses through its transcriptional regulatory network (TRN). While many studies have sought to characterize specific portions of the M. tuberculosis TRN, and some studies have performed system-level analysis, few have been able to provide a network-based model of the TRN that also provides the relative shifts in transcriptional regulator activity triggered by changing environments. Here, we compiled a compendium of nearly 650 publicly available, high quality M. tuberculosis RNA-sequencing data sets and applied an unsupervised machine learning method to obtain a quantitative, top-down TRN. It consists of 80 independently modulated gene sets known as “iModulons,” 41 of which correspond to known regulons. These iModulons explain 61% of the variance in the organism’s transcriptional response. We show that iModulons (i) reveal the function of poorly characterized regulons, (ii) describe the transcriptional shifts that occur during environmental changes such as shifting carbon sources, oxidative stress, and infection events, and (iii) identify intrinsic clusters of regulons that link several important metabolic systems, including lipid, cholesterol, and sulfur metabolism. This transcriptome-wide analysis of the M. tuberculosis TRN informs future research on effective ways to study and manipulate its transcriptional regulation and presents a knowledge-enhanced database of all published high-quality RNA-seq data for this organism to date.

59 BASIC BIOLOGICAL SCIENCES↗