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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Artificial intelligence time series forecasting for feed-forward laser stabilization

Laser plasma accelerators, typically operating at 1–10 Hz repetition rates, have the ability to produce high-quality electron beams in compact, all-optical-driven configurations, with the electron beams uniquely suited for a wide variety of accelerator-based applications. However, fluctuations and drifts in the laser delivery to the meter-scaled and below plasma target (the electron beam source) will translate into electron beam source variations that can limit their utility for demanding applications like light sources or linear colliders. Commercially available active feedback laser stabilization systems are intrinsically bandwidth limited due to their integration with multi-inch corrective mirror mounts which minimizes their effectiveness. In this manuscript, we present a Neural Network time series forecaster that can predict laser position fluctuations of the laser delivery to the final target well ahead of a future laser shot. The Root-Mean-Square-Error (RMSE) of the prediction accuracy was < 2 μ m for a 1 / e 2 beam radius of 34 μ m . Our feed-forward approach serves as a first-step in circumventing the bandwidth limitations imposed by the currently available stabilization systems since it allows for mirrors to be moved into position ahead of time to offset the predicted future position drift. This will help advance laser plasma accelerator research by providing greater robustness and stability needed for its applications.

Berger, Curtis↗
DOE OSTI2026

Performance Validation of Endcap Timing Layer Detector Modules for CMS Phase-2 Upgrade

The High-Luminosity Large Hadron Collider (HL-LHC) will operate up to 200 simultaneous collisions per bunch crossing, which is a significant jump from the current value of about 30 collisions per bunch crossing, producing significant pileup that challenges accurate event reconstruction. To address this, the Compact Muon Solenoid (CMS) experiment is implementing the Endcap Timing Layer (ETL), a precision timing detector designed to provide timing measurements with a resolution of approximately 50 ps per hit and 35 ps per reconstructed track. This project focuses on the characterization and validation of ETL detector modules using laboratory laser test data. ETL performance is evaluated by analyzing key quantities such as Bunch Crossing Identification (BCID), Time-of-Arrival (TOA), Time-over-Threshold (TOT), Noise Stability etc. The resulting analysis provides insight into the timing performance and operational stability of ETL modules, contributing to the quality assurance process req uired before their installation in the CMS experiment and ensure that the modules can meet the long-term reliability requirements of approximately 10 years of operation without replacement.

Chipara, Munashe [Fermilab]↗
DOE OSTI2023

Impact of Flow Configurations on Response Time and Data Quality in Real-Time, In-Line Fourier Transform Infrared (FTIR) Monitoring of Viscous Flows

The real-time, in-line monitoring of continuous flow concentrations is widely conducted via infrared (IR) spectrometry by using a flow cell connected to a reactive flow stream. For protective purposes, the IR sensor tip is typically offset from the flow. This offset can cause the formation of a stagnant boundary layer above the sensor, especially when dealing with high-viscosity fluids. As a result, the IR signal response time is often controlled by the slow diffusional exchange of fluid in the boundary layer, as confirmed via 2D computational fluid dynamics (CFD) simulations. We evaluated several flow configuration modifications in a typical IR flow cell in order to identify the changes to the flow dynamics that enable improved response times with minimal changes to the cell configuration: the use of (i) vertical flow, where the standard horizontal flow over the sensor is redirected to contact vertically with the sensor, (ii) a static mixer to create radial flow momentum above the IR sensor, and (iii) horizontal or vertical nozzles to direct the flow toward the IR sensor. The vertical flow configuration did not show any significant improvement over the standard horizontal flow configuration. However, the static mixer, horizontal nozzle, and vertical nozzle configurations all resulted in markedly improved response times and signal quality, albeit at the expense of a higher pressure drop across the flow cell. These results point toward straightforward, user-accessible modifications of in-line IR flow cells that result in significant improvements in signal stability and acquisition times.

42 ENGINEERING↗
DOE OSTI2021

The Effect of Spark-Plug Heat Dispersal Range and Exhaust Valve Opening Timing on Cold-Start Emissions and Cycle-to-Cycle Variability

The partnership for advancing combustion engines (PACE) is a US Department of Energy consortium involving multiple national laboratories and includes a goal of addressing key efficiency and emission barriers in light-duty engines fueled with a market-representative E10 gasoline. A major pillar of the initiative is the generation of detailed experimental data and modeling capabilities to understand and predict cold-start behavior. Cold-start, as defined by the time between first engine crank and three-way catalyst light-off, is responsible for a large percentage of NOx, unburned hydrocarbon and particulate matter emissions in light-duty engines. Minimizing emissions during cold-start is a trade-off between achieving faster light-off of the three-way catalyst and engine out emissions during that period. In this study, gaseous and soot emissions were measured at a distance representative of the three-way catalyst position downstream of the engine at a 2 bar net indicated mean effective pressure (NIMEP) steady-state operating condition representative of cold-start. The test matrix included sweeps of ignition timing 15 degrees-before to 10 degrees-after top dead center firing (TDCf) across three different spark-plug heat dispersal ranges (HR). Additionally, the effect of varying exhaust valve opening (EVO) timing on combustion stability and emissions was also studied. Results show that the spark plug HR affects the coefficient of variation (COV) of NIMEP under all cold-start conditions, while the impact on emissions was found to be minimal. At very retarded spark timings, colder spark plugs required higher air and fuel flow to maintain the desired 2bar NIMEP load, but the fraction of fuel energy going into the exhaust was found to be similar for all spark plugs. Finally, retarding exhaust valve timings showed a simultaneous reduction in emissions while increasing the fraction of fuel energy being fed into the exhaust. However, engine COV was also observed to increase with retarded exhaust timings.

42 ENGINEERING↗
DOE OSTI2022

Corrosion resistance of high nickel alloys in solar salt at 600 °C for up to 4000 h

This study focuses on the time dependent performance of the corrosion resistance of IN625, H230 and 740H alloys in the solar salt (60 wt% NaNO3, 40 wt% KNO3, at 600 °C) for up to 4000 h. Alloy IN625 showed the lowest mass change with parabolic oxidation kinetics that tends to stabilize with exposure time. Both 740H and H230 alloys deviated from the parabolic oxidation behavior beyond the 3000 h of exposure. Alloy 740H showed the highest mass loss due to the nonuniform surface oxidation and the high chromium dissolution rate. Internal oxidation was noticed with Alloy H230 due to the high tungsten concentrations.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Parallelized real-time physics codes for plasma control on DIII-D

A real-time safe multi-threading library was developed on the DIII-D plasma control system to optimize the real-time TORBEAM and real-time STRIDE physics codes. These physics codes are crucial for future fusion power plant operation as they provide information about electron cyclotron wave propagation and heating as well as inform about ideal plasma stability limits. The real-time TORBEAM code executed consistently in under 20 ms while the real-time STRIDE code computes in 100 ms. The multi-threading library developed in this work can be applied to other real-time physics-based codes that will be crucial for the next generation of fusion devices.

DIII-D↗
DOE OSTI2022

Facile synthesis and phase stability of Cu-based Na 2 Cu(SO 4 ) 2 · x H 2 O ( x = 0–2) sulfate minerals as conversion type battery electrodes

Mineral exploration forms a key approach for unveiling functional battery electrode materials. The synthetic preparation of naturally found minerals and their derivatives can aid in designing of new electrodes. Herein, saranchinaite Na 2 Cu(SO 4 ) 2 and its hydrated derivative kröhnkite Na 2 Cu(SO 4 ) 2 ·2H 2 O bisulfate minerals have been prepared using a facile spray drying route for the first time. The phase stability relation during the (de)hydration process was examined synergising in situ X-ray diffraction and thermochemical studies. Kröhnkite forms the thermodynamically stable phase as the hydration of saranchinaite to kröhnkite is highly exothermic (-51.51 ± 0.63 kJ mol -1 ). Structurally, kröhnkite offers a facile 2D pathway for Na+ ion migration resulting in 20 times higher total conductivity than saranchinaite at 60 °C. Both compounds exhibited a conversion redox mechanism for Li-ion storage with the first discharge capacity exceeding 650 mA h g -1 (at 2 mA g -1 vs. Li + /Li) upon discharge up to 0.05 V. Post-mortem analysis revealed that the presence of metallic Cu in the discharged state is responsible for high irreversibility during galvanostatic cycling. This study reaffirms the exploration of Cu-based polyanionic sulfates, which while having limited (de)insertion properties, can be harnessed for conversion-based electrode materials for batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

A Robust Yule-Walker Method for Online Monitoring of Power System Electromechanical Modes of Oscillation

Reliable power system operation requires that system operators maintain a satisfactory small-signal stability margin at all times. Mode meters allow system operators to continuously monitor the stability margin by analyzing synchrophasor measurements. Experience with mode meters at the Bonneville Power Administration (BPA) has revealed that mode meters sometimes suffer severe bias following transient disturbances. In this paper, a robust version of the Yule-Walker mode meter algorithm is proposed to mitigate this bias. The robust capability is introduced by modifying the estimator of the autocovariance sequence (ACS) on which the algorithm depends. Tests with field-measured data demonstrate that the robust Yule-Walker (RYW) algorithm significantly outperforms its conventional counterpart and is better able to provide system operators with accurate information about the system's stability margin.

Follum, James D.↗
DOE OSTI2025

Simulation of 24,000 Electron Dynamics: Real-Time Time-Dependent Density Functional Theory (TDDFT) with the Real-Space Multigrids (RMG)

Here, we present the theory, implementation, and benchmarking of a real-time time-dependent density functional theory (RT-TDDFT) module within the RMG code, designed to simulate the electronic response of molecular systems to external perturbations. Our method offers insights into nonequilibrium dynamics and excited states across a diverse range of systems, from small organic molecules to large metallic nanoparticles. Benchmarking results demonstrate excellent agreement with established TDDFT implementations and showcase the superior stability of our time integration algorithm, enabling long-term simulations with minimal energy drift. The scalability and efficiency of RMG on massively parallel architectures allow for simulations of complex systems, such as plasmonic nanoparticles with thousands of atoms. Future extensions, including nuclear and spin dynamics, will broaden the applicability of this RT-TDDFT implementation, providing a powerful toolset for studies of photoactive materials, nanoscale devices, and other systems where real-time electronic dynamics is essential.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Improvements to CTF for Modeling of Boiling Water Reactor Geometry and Operating Conditions

This report documents work done to improve CTF modeling of boiling water reactor (BWR) designs during FY 2020. Several improvements were made to the geometry modeling capabilities, including adding support for modeling of inlet flow orifices, axially varying large water rods, channel boxes with large corner round radii, and quarter symmetry models. Work was also done to improve on the numerical stability and run-time performance of CTF in Virtual Environment for Reactor Applications (VERA) for core-scale BWR problems. An outer iteration loop was implemented that ensures mass and energy are conserved before moving on to the next time step in the solution. The ability to use a direct solver for the pressure matrix was also added, which reduces the matrix solution error and improves code stability and run-time performance. Improvements to the pressure balance iteration loop were needed to allow CTF to be used in a coupled VERA solution of a model of Hatch that was developed. Finally, various improvements have led to a 2×reduction in the total VERA walltime for the Hatch model.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Universal dwell time optimization for deterministic optics fabrication

Computer-Controlled Optical Surfacing (CCOS) has been greatly developed and widely used for precision optical fabrication in the past three decades. It relies on robust dwell time solutions to determine how long the polishing tools must dwell at certain points over the surfaces to achieve the expected forms. However, as dwell time calculations are modeled as ill-posed deconvolution, it is always non-trivial to reach a reliable solution that 1) is non-negative, since CCOS systems are not capable of adding materials, 2) minimizes the residual in the clear aperture 3) minimizes the total dwell time to guarantee the stability and efficiency of CCOS processes, 4) can be flexibly adapted to different tool paths, 5) the parameter tuning of the algorithm is simple, and 6) the computational cost is reasonable. In this study, we propose a novel Universal Dwell time Optimization (UDO) model that universally satisfies these criteria. First, the matrix-based discretization of the convolutional polishing model is employed so that dwell time can be flexibly calculated for arbitrary dwell points. Second, UDO simplifies the inverse deconvolution as a forward scalar optimization for the first time, which drastically increases the solution stability and the computational efficiency. Finally, the dwell time solution is improved by a robust iterative refinement and a total dwell time reduction scheme. The superiority and general applicability of the proposed algorithm are verified on the simulations of different CCOS processes. A real application of UDO in improving a synchrotron X-ray mirror using Ion Beam Figuring (IBF) is then demonstrated. The simulation indicates that the estimated residual in the 92.3 mm × 15.7 mm CA can be reduced from 6.32 nm Root Mean Square (RMS) to 0.20 nm RMS in 3.37 min. After one IBF process, the measured residual in the CA converges to 0.19 nm RMS, which coincides with the simulation.

36 MATERIALS SCIENCE↗
DOE OSTI2021

High Temperature Stability of Aqueous Foams for Potential Application in Enhanced Geothermal System (EGS)

Enhanced Geothermal Systems (EGS) are typically constructed by injecting high-pressure water into the deep hot dry rocks (HDR) under carefully controlled conditions to create new or re-open existing fractures, which usually utilizes an immense quantity of water. Alternatively, aqueous foam-based fracturing fluids may offer potential advantages over conventional water-based fracturing fluid, including reduced consumption of water and environmental impact. Although foam-based fracturing has shown promising results in oil and gas industries, its applicability to EGS is unknown. Foams are complex mixtures of liquids with gaseous phases that are thermodynamically unstable. Their stability will decrease over time due to liquid drainage, bubble coarsening, and coalescence. Therefore, it is essential to stabilize foam fluids at high temperatures for EGS related applications such as fracking of HDRs.This paper is focused on investigating high-temperature stability of N2-in-water or N2 foams containing different surfactants and stabilizing agents. Foam stability was characterized by the half-life, which is defined as the time a foam decreases to 50% of its original height due to drainage. Surfactants with various concentrations dissolved in deionized water were investigated, including alfa olefin sulfonate (AOS), sodium dodecyl sulfonate (SDS), TergitolTM (NP – 40), and cetyltrimethylammonium chloride (CTAC). Also, the effects of other stabilizing agents, including guar gum, bentonite clay, crosslinker, graphene oxide (GO) dispersion on foam stability were tested. Initial results showed that foam stability decreased dramatically as temperature increased. On the other hand, foams became relatively more stable as pressure increased. Certain stabilizing agents, such as guar gum and crosslinker, can enhance foam stability at a wide range of temperatures. Our results indicate that it may be possible to obtain stable foams at high-temperature, high-pressure conditions with appropriate stabilizing agents.

Thakore, Virensinh↗
DOE OSTI2020

Performance enhancement and degradation mechanism identification of a single-atom Co–N–C catalyst for proton exchange membrane fuel cells

Development of platinum group metal (PGM)-free catalysts for oxygen reduction reaction (ORR) has been a strategic research topic for proton exchange membrane (PEM) fuel cells. Present state-of-art PGM-free ORR catalysts are Fe, N co-doped carbon (Fe-N-C) catalysts, which unfortunately exhibit instability concerns. Herein, we report a stable atomically dispersed Co, N co-doped carbon (Co-N-C) catalyst with high Co content of 1.0 at% and the active site, i.e., the coordination of Co, is CoN2+2 in nature. The Co-N-C catalyst demonstrated high ORR activity comparable to, and high stability over 3 times better than, that of the Fe-N-C catalyst. It also achieved a high activity of 22 mA cm2 at 0.9 ViR-free and a power density of 0.61 W cm-2 under 1.0 bar H2/O2. Further, we identify two main degradation mechanisms of the PGM-free catalysts: catalyst oxidation by H2O2/radicals and demetalation. The improved stability of Co-N-C relative to Fe-N-C is attributed to less Fenton-reactive nature of Co and significantly enhanced resistance to demetalation of Co-N-C.

Xie, Xiaohong↗
DOE OSTI2024

Operational Analytics Studies for ATLAS Distributed Computing: Data Popularity Forecast and Utilization of the WLCG Centers

Operational analytics is the direction of research related to the analysis of the current state of computing processes and the prediction of future states in order to anticipate imbalances and take timely measures to stabilize a complex system. There are two relevant areas in ATLAS Distributed Computing that are currently the focus of studies: user physics analysis including the forecast of popularity of data samples among users, and evaluating WLCG centers for their readiness to process user analysis payloads. Studying these areas is challenging due to the complexity involved, as it requires a comprehensive understanding of numerous boundary conditions typically found in large-scale distributed computing infrastructures. Forecasts of data popularity are problematic without the categorization of user tasks by their types (data transformation or physics analysis), which do not always appear on the surface but may induce noise, which introduces significant distortions for predictive analysis. Evaluating the WLCG resources by their analysis workloads is also a challenging task as it is necessary to find a balance between the workload of the resource, its performance, the waiting time for jobs on it, as well as the volume of jobs that it processes. This is especially difficult in a heterogeneous computing environment, where legacy resources are used along with modern high-performance machines. We will look at these areas of research in detail and discuss what tools and methods are used in our work, demonstrating results already obtained.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

A data-driven approach to real-time vertical position estimation for NSTX-U vertical stability control

In this paper, a database of 77 996 plasma equilibrium reconstructions from 727 discharges during the initial operation of the NSTX-U spherical tokamak is analyzed to develop a statistically robust model of the plasma vertical position for real-time control. A variety of regression models are developed and tested, ranging in complexity from linear models to deep neural networks, and including input signals ranging from the four pairs of flux loops used historically on NSTX-U up to the full set of 389 real-time signals available to the plasma control system. A linear model based on 140 real-time magnetics signals is found to offer excellent accuracy, with a coefficient of determination R 2 = 0.906. The robustness of this model to limited training data, new operating scenarios, and signal errors is tested, and a procedure is demonstrated to tune the model parameters to optimize its robustness. A time-dependent plasma equilibrium solver, TokaMaker, is used to simulate vertical stability control in NSTX-U, demonstrating that it should be possible to iteratively tune the parameters of a linear vertical position model to stabilize both positive and negative triangularity plasmas in future experiments.

magnetic diagnostics↗
DOE OSTI2025

Bio‐Inspired In Situ Tuning of the Hydrophobic Environment Around Catalytically Active Organic Ligand‐Stabilized Ruthenium Nanoparticles

Abstract The organic ligand environment surrounding enzymatic and homogeneous catalytic active sites often determines catalytic activity. Ruthenium nanoparticles, ≤1 nm in diameter, are synthesized using monodentate thiol, monodentate phosphine, and bidentate bisphosphine ligands. Even though some of the ruthenium surface is blocked by the ligands, catalytic activity is still observed for CO oxidation and H 2 O 2 decomposition. All three ligand‐stabilized ruthenium nanoparticles have similar CO oxidation rates; however, the bisphosphine‐stabilized Ru nanoparticles are approximately 2.5 times less active than the monothiol‐stabilized and monophosphine‐stabilized ruthenium nanoparticles for H 2 O 2 decomposition. It is observed that the organic ligand environment is modulated in situ during nanoparticle synthesis via partial oxidation of the bisphosphine as confirmed by 31 P NMR measurements. We hypothesize that bisphosphine‐bound Ru nanoparticles consist of a Ru core with some of the ligands bound in a monodentate manner where the other P atom is oxidized and not bound to the Ru surface leading to a thicker hydrophobic layer around the Ru nanoparticles. The increase in hydrophobicity is confirmed via contact angle and zeta potential measurements. H 2 O 2 decomposition rates are known to decrease with increasing hydrophobicity, and this work illustrates a pathway for increasing hydrophobicity in situ using ligand‐bound metallic nanoparticles.

Sufyan, Sayed Abu [Department of Chemical Engineer↗
DOE OSTI2025

A Spatially Resolved Evaluation of Accelerated Environmental Aging on Emerging Polypropylene-Based Photovoltaic Backsheets Using Raman Spectroscopy

For this work, accelerated aging was used to assess environmental degradation in emerging co-extruded polypropylene (PP)-based backsheets under three different environmental conditions (65°C/20% relative humidity (RH), 75°C/20% RH, and 75°C/50% RH). Although differential scanning calorimetry did not measure crystallinity changes with exposure, spatially resolved Raman spectroscopy identified crystallinity increases in the core layer of aged samples, indicating a heterogeneous postcrystallization process. The Raman results were in agreement with synchrotron-based microfocused wide-angle X-ray scattering measurements. Cross-sectional nanoindentation was used to correlate localized crystallinity shifts with changes in Young's modulus. A similar trend was found where increased modulus was measured in the core layer, supporting the relationship between modulus and crystallinity. Finally, dielectric characterization was used to assess the impact of these material property changes on performance. While changes in the backsheet material properties and dielectric performance were observed with accelerated aging, these shifts generally equilibrated with time, indicating overall stability in response to environmental stressors. Additionally, the identified heterogeneous material property changes indicate that spatially resolved crystallinity measurements may be a valuable early failure indicator to be used in the assessment of PV backsheet long-term durability.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Multi‐Objective Optimization for Rapid Identification of Novel Compound Metals for Interconnect Applications

Abstract Interconnect materials play the critical role of routing energy and information in integrated circuits. However, established bulk conductors, such as copper, perform poorly when scaled down beyond 10 nm, limiting the scalability of logic devices. Here, a multi‐objective search is developed, combined with first‐principles calculations, to rapidly screen over 15,000 materials and discover new interconnect candidates. This approach simultaneously optimizes the bulk electronic conductivity, surface scattering time, and chemical stability using physically motivated surrogate properties accessible from materials databases. Promising local interconnects are identified that have the potential to outperform ruthenium, the current state‐of‐the‐art post‐Cu material, and also semi‐global interconnects with potentially large skin depths at the GHz operation frequency. The approach is validated on one of the identified candidates, CoPt, using both ab initio and experimental transport studies, showcasing its potential to supplant Ru and Cu for future local interconnects.

Chemistry↗