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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Temperature Dependence of Structural Relaxation in Glass-Forming Liquids and Polymers

Understanding the microscopic mechanism of the transition of glass remains one of the most challenging topics in Condensed Matter Physics. What controls the sharp slowing down of molecular motion upon approaching the glass transition temperature T g , whether there is an underlying thermodynamic transition at some finite temperature below T g , what the role of cooperativity and heterogeneity are, and many other questions continue to be topics of active discussions. This review focuses on the mechanisms that control the steepness of the temperature dependence of structural relaxation (fragility) in glass-forming liquids. We present a brief overview of the basic theoretical models and their experimental tests, analyzing their predictions for fragility and emphasizing the successes and failures of the models. Special attention is focused on the connection of fast dynamics on picosecond time scales to the behavior of structural relaxation on much longer time scales. A separate section discusses the specific case of polymeric glass-forming liquids, which usually have extremely high fragility. We emphasize the apparent difference between the glass transitions in polymers and small molecules. We also discuss the possible role of quantum effects in the glass transition of light molecules and highlight the recent discovery of the unusually low fragility of water. At the end, we formulate the major challenges and questions remaining in this field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

A Survey of Multizone Airflow Simulation Software

H-Canyon simulates the building and process ventilation to ensure positive contamination control for any modifications as well as evaluating off-normal conditions. Simulations can also be used to identify air quality of personnel occupied areas. The models can be classified into two groups, single and multi-zone models. As the name states, a single zone model assumes that the building can be described by a single, well-mixed zone. Whereas large buildings have structures that must be described as multizone. Multizone airflow models deal with the difficulty of flows in a building by distinguishing the effects of internal flow restrictions. Several models have been developed that take internal partitions into account. CONTAM (currently used) is a multizone airflow program created by NIST to determine airflows including infiltration, exfiltration, wind pressures acting outside the building, buoyancy effects caused by the indoor and outdoor air temperature difference. COMIS is a multizone air infiltration, ventilation, and contaminant transport model that was developed at Lawrence Berkeley National Laboratory. COMIS deals with applied pressure distribution, airflow components, HVAC systems, schedules, and contaminant transport. EnergyPlus is designed by DOE. It supports flexible component level configuration of HVAC models and simulates sub-hourly time steps to control fast dynamic systems. The program features include providing accurate environmental performance data including energy consumption and carbon emissions, and reporting solar gains on surfaces. Heavent is used to model industrial ventilation systems to control airborne contaminants. It's designed based on the American Conference of Governmental Industrial Hygienists (ACGIH) Ventilation manual. DesignBuilder is the most recognized and advanced user interface to EnergyPlus. It gives access to all of the most frequently required simulation capabilities covering building fabric, thermal mass, glazing, shading renewables, and HVAC analysis. The objective of this study is to identify all relevant software available including commercially licensed, freely licensed, and open source, that can be used to simulate large, complex process facility ventilation systems. All discovered software tools are evaluated for salient features and compared to the software tool currently used to simulate the H-Canyon ventilation system. The design criteria of a ventilation system has two basic requirements: Supplying fresh air for the occupants and changing the air in the room sufficiently; therefore, the smells, fumes, and contaminants will be removed. In this study, first, whether the software simulates airflow (infiltration, natural ventilation, and interzonal) or considers them to be inputs is discussed. Second, if indoor contaminant levels are considered; and finally suggestions on how airflow analysis can be more appropriately accounted for when performing airflow simulation of a building. All of the airflow software reviewed for this study can account for constant infiltration and natural ventilation rates that are not affected by changes in indoor and outdoor conditions. Modelling infiltration in EnergyPlus or DesignBuilder are applicable for small buildings and not appropriate for larger buildings like the H-Canyon. The effect of wind on external pressures, infiltration, and natural and mechanical ventilation, can also be calculated using all of these software. These programs have control options to switch between natural to mechanical ventilation modes or both (hybrid). Interzonal airflow can be applied which means one zone can be specified to receive a fixed amount of air from another zone. The following ventilation modeling software is recommended for further testing: CONTAM, COMIS, Heavent. The next step in evaluating the software will consist of creating test facility simulations using evaluation copies of the software.

42 ENGINEERING↗
DOE OSTI2024

Radiation-induced transients on solid and molten Li and K iodides

The study, quantification, and monitoring of iodine in nuclear power generation systems have been paramount due to its environmental and health implications. Thorough speciation and transport studies strengthened the development and deployment of water reactors, which are now required for the new generation of Molten Salt Reactors (MSR), where the fuel and coolant are a complex liquid system of suitable halides. The speciation, radiation-induced chemistry, and transport of iodine (I-127, I-129 and I-131) under extreme conditions of temperature and ionizing radiation are among the challenges for the future implementation of MSR’s. In aqueous systems, the triiodide-iodine-iodide (I3--I2-I-) equilibrium is strongly dependent on the conditions of the medium. In molten iodides and chlorides, the triiodide detection (and its disproportionation) poses challenges due to the extreme conditions of temperature and radiation, but studies have shown a dependence on temperature, absorbed dose and salt composition. Through absorption spectroscopy techniques (diffuse reflectance and high-temperature UV-Vis), as well as resonance (Electron Paramagnetic Resonance) it is possible to identify primary transients induced by ionizing radiation trapped in the solid phase (Solid-state radiolysis), and steady-state main absorption components with a fast-acquisition real-time spectroscopy. The presence of heterogeneous phase (colloids), viscosity changes, and gas evolution are among the observed processes. A specific case of study is speciation in the presence of Ni. A corrosion product with magnetic properties due to unpaired electrons in its electronic structure. Ferromagnetic materials are monitored in solidified salts to identify aggregation and phase separation. Comparative studies of eutectic mixtures of LiI-KI and LiCl-KCl with known addition of dopants will be presented, with a perspective of radiation chemistry and its possible implications in complex systems.

36 - MATERIALS SCIENCE↗
DOE OSTI2026

MAS-CCD: New technique for measuring low-level charge content based on the multiple amplifier architecture

Low-noise detectors are a key technology for the next generation of astronomical instruments aimed at spectroscopy of faint objects and the search for exoplanets. In this context, the multiple-amplifier sensing charge-coupled device (MAS-CCD) emerges as a promising technology for future scientific instruments. A critical parameter affecting the performance of these devices is spurious charge, produced by the clocking of the gates. Its measurement is typically challenging with existing methods. In practice, the optimization of this parameter often relies on empirical procedures that require significant time and careful consideration of the trade-off with full-well capacity. In this work, we present a new technique to estimate spurious charge based on covariance analysis of the output amplifiers of the MAS-CCD, which measures the same charge packet in different amplifiers at different times. The method enables fast and precise measurements of spurious charge under operating conditions where conventional approaches are difficult to apply. We develop the theoretical framework of the method and validate the model through simulations. The results demonstrate the feasibility of this approach and suggest that it could serve as a basis for reliable large-scale characterization of sensor performance.

Gamero, Miqueas E. [Buenos Aires, CONICET; Fermila↗
DOE OSTI2020

Devising novel methods for the controlled synthesis with morphology and size control of scintillator materials

Nanoscale scintillators represent an important class of materials underlying the functioning of high resolution, high ‘light yield’ radiation detection equipment, applicable for medicine in addition to security and environmental monitoring. This current study has focused on the controlled synthesis of Cs 2 ZnX 4 (X = Cl, Br) not only due to its very fast and promising radioluminescence decay time but also because no reliable synthesis protocols have been reported for producing nanoscale motifs of this material, to date. Solution-based methods can be used to synthesize products, possessing different, discrete morphologies with the ability to dictate particle size and shape. Specifically, we have demonstrated that a hot injection technique can be used to fabricate nanoscale rods and plates. Using this method, we systematically studied the effect of varying reaction variables, such as (i) reaction temperature, (ii) surfactants, and (iii) reaction time. As synthesized nanorods of Cs 2 ZnCl 4 possessed lengths of 101.3 ± 24.4 nm with widths of 17.3 ± 4.5 nm, whereas Cs 2 ZnBr 4 , created under identical conditions, were characterized by lengths of 206 ± 50 nm and widths of 26.7 ± 12.6 nm. Ligand-assisted re-precipitation (LARP) was used to produce the corresponding micron-sized particles. Under these conditions, we successfully synthesized spindles and spherical particles of Cs 2 ZnCl 4 with sizes of 1.58 ± 0.16 μm and 1.03 ± 0.34 μm, respectively, whereas plates of Cs 2 ZnBr 4 were prepared with average sizes of 0.76 ± 0.21 μm. High resolution synchrotron mapping, using the hard X-ray nanoprobe at NSLS II, was used to confirm the expected spatial distribution of Cs, Zn, and Cl within the as-produced crystals. Nanorods of Cs 2 ZnCl 4 and Cs 2 ZnBr 4 were subsequently tested for scintillation light yield and decay times. Preliminary results showed that Cs 2 ZnCl 4 maintained a light yield of 100–300 photons per MeV with a fast decay component of 2.6 ns. Finally, the Cs 2 ZnBr 4 analogue did not give rise to any perceptible scintillation emission.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Developing a Consistent Travel-Time Framework for Comparing Three-Dimensional Velocity Models for Seismic Location Accuracy

Abstract Location algorithms have historically relied on simple, one-dimensional (1D) velocity models for fast seismic event locations. 1D models are generally used as travel-time lookup tables, one for each seismic phase, with travel-times pre-calculated for event distance and depth. These travel-time lookup tables are extremely fast to use and this fast computational speed makes them the preferred type of velocity model for operational needs. Higher-dimensional (i.e., three-dimensional—3D) seismic velocity models are becoming readily available and provide more accurate event locations over 1D models. The computational requirements of these 3D models tend to make their operational use prohibitive. Additionally, comparing location accuracy for 3D seismic velocity models tends to be problematic, as each model is determined using different ray-tracing algorithms. Attempting to use a different algorithm than the one used to develop a model usually results in poor travel-time prediction. We demonstrate and test a framework to create first-P and first-S 3D travel-time correction surfaces using an open-source framework ( PCalc + GeoTess , https://www.sandia.gov/salsa3d/software/geotess ) that easily stores 3D travel-time and uncertainty data. This framework produces fast travel-time and uncertainty predictions and overcomes the ray-tracing algorithm hurdle because the lookup tables can be generated using the exact ray-tracing algorithm that is preferred for a model.

3D velocity models↗
DOE OSTI2025

Time Resolution Characterization of 4H-SiC LGADs with a 90 Sr Source

This work presents timing measurements of 4H-SiC Low Gain Avalanche Detectors (4H-SiC LGADs) using beta particles from a 90Sr source. The 4H-SiC LGADs exhibit fast signal responses, and a time resolution of 61 ps was achieved, comparable to that of standard Si LGADs. The present limitation in the time resolution of 4H-SiC LGADs appears to stem from limited charge generation. Nevertheless, their higher voltage tolerance and faster carrier drift suggest that, with increased charge collection, their timing performance could approach or even surpass that of Si LGADs. Furthermore, these results demonstrate the strong potential of 4H-SiC LGADs as a robust platform for precision timing in future 4D tracking detectors, while also highlighting that signal charge is the dominant factor currently limiting their performance, indicating that further optimization of gain and drift structures will be essential for future development.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Importance of Site Diversity and Connectivity in Electrochemical CO Reduction on Cu

Electrochemical CO 2 reduction on Cu is a promising approach to produce value-added chemicals using renewable feedstocks, yet various Cu preparations have led to differences in activity and selectivity toward single and multicarbon products. Here, we find, surprisingly, that the effective catalytic activity toward ethylene improves when there is a larger fraction of less active sites acting as reservoirs of *CO on the surface of Cu nanoparticle electrocatalysts. In an adaptation of chemical transient kinetics to electrocatalysis, we measure the dynamic response of a gas diffusion electrode (GDE) cell when the feed gas is abruptly switched between Ar (inert) and CO. When switching from Ar to CO, CO reduction (COR) begins promptly, but when switching from CO to Ar, COR can be maintained for several seconds (delay time) despite the absence of the CO reactant in the gas phase. A three-site microkinetic model captures the observed dynamic behavior and shows that Cu catalysts exhibiting delay times have a less active *CO reservoir that exhibits fast diffusion to active sites. The observed delay times and the estimated *CO reservoir sizes are affected by catalyst preparation, applied potential, and microenvironment (electrolyte cation identity, electrolyte pH, and CO partial pressure). Notably, we estimate that the *CO reservoir surface coverage can be as high as 88 ± 7% on oxide-derived Cu (OD-Cu) at high overpotentials (–1.52 V vs SHE) and this increases in reservoir coverage coincide with increased turnover frequencies to ethylene. We also estimate that *CO can travel substantial distances (up to 10s of nm) prior to desorption or reaction. It appears that active C–C coupling sites by themselves do not control selectivity to C 2+ products in electrochemical COR; the supply of CO to those sites is also a crucial factor. More generally, the overall activity of Cu electrocatalysts cannot be approximated from linear combinations of individual site activities. Future designs must consider the diversity of the catalyst network and account for intersite transportation pathways.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

HOLISMOKES IX. Neural network inference of strong-lens parameters and uncertainties from ground-based images

Modeling of strong gravitational lenses is a necessity for further applications in astrophysics and cosmology. With the large number of detections in current and upcoming surveys, such as the Rubin Legacy Survey of Space and Time (LSST), it is pertinent to investigate automated and fast analysis techniques beyond the traditional and time-consuming Markov chain Monte Carlo sampling methods. Building upon our (simple) convolutional neural network (CNN), we present here another CNN, specifically a residual neural network (ResNet), that predicts the five mass parameters of a singular isothermal ellipsoid (SIE) profile (lens center x and y, ellipticity e x and e y , Einstein radius θ E ) and the external shear (γ ext, 1 , γ ext, 2 ) from ground-based imaging data. In contrast to our previous CNN, this ResNet further predicts the 1σ uncertainty for each parameter. To train our network, we use our improved pipeline to simulate lens images using real images of galaxies from the Hyper Suprime-Cam Survey (HSC) and from the Hubble Ultra Deep Field as lens galaxies and background sources, respectively. We find very good recoveries overall for the SIE parameters, especially for the lens center in comparison to our previous CNN, while significant differences remain in predicting the external shear. From our multiple tests, it appears that most likely the low ground-based image resolution is the limiting factor in predicting the external shear. Given the run time of milli-seconds per system, our network is perfectly suited to quickly predict the next appearing image and time delays of lensed transients. Therefore, we use the network-predicted mass model to estimate these quantities and compare to those values obtained from our simulations. Unfortunately, the achieved precision allows only a first-order estimate of time delays on real lens systems and requires further refinement through follow-up modeling. Nonetheless, our ResNet is able to predict the SIE and shear parameter values in fractions of a second on a single CPU, meaning that we are able to efficiently process the huge amount of galaxy-scale lenses expected in the near future.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Data mining of plug-in electric vehicles charging behavior using supply-side data

This paper aims to better understand the charging patterns of plug-in electric vehicles (PEVs) and identify factors that may significantly impact PEVs’ charging behavior. We collected 189,864 supply-side charging session data over 13 months from 821 charging stations in Illinois from ChargePoint. Through descriptive and regression analyses, we characterize the distributions of key charging behavior indicators, including charging location, dwell time, and battery start state of charge (SOC), and quantify the impacts of closely related factors on these charging behaviors. In this work, we find that: (1) PEVs are more likely to charge in the morning at multifamily commercial locations with a lower start SOC compared with single family residential locations; (2) Weekday and morning sessions are more likely to utilize workplace charging and have shorter dwell time compared with weekend and afternoon sessions; (3) Single family residential area and locations with Levels 1/2 chargers have a higher start SOC and longer dwell time compared with other locations and DC fast chargers (DCFCs). These findings provide policy insights to identify potential time and locations to incentivize PEVs for grid services, as well as identify critical location categories for further charging infrastructure investment to better reduce range anxiety and promote PEV adoption.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Quasilinear critical gradient model for Alfven eigenmode driven energetic particle transport with intermittency

Abstract A simplified quasilinear critical gradient model (QLCGM) for Alfven eigenmode (AE) driven energetic particle (EP) transport is used to treat the intermittency (burstiness) of the transport. Here intermittency is defined as the ratio of the root mean square deviation from mean flow to the mean flow. The model posits that the intermittency results from the micro-turbulent noise induced in the thermal plasma damping rate for the AE. The model is embedded in a time-dependent EP density transport code to generate the transport-flow time traces from typical critical gradient and slowing down density profiles. The QLCGM appears to be in reasonable agreement with the level and characteristics of the intermittency observed in the DIII-D fast particle loss detector flow time traces: high kurtosis [ O (40)] of the burstiness with the intermittency O (1–2) increasing with the level of mean flow.

Physics↗
DOE OSTI2022

A Fast and Accurate Transient Stability Assessment Method Based on Deep Learning: WECC Case Study

Transient stability is one of the critical aspects of power system stability assessment. The increasing integration of inverter-based resources and the retirement of conventional synchronous generators result in the decreasing system inertia and growing complexity of system operating conditions. Using a few selected typical operating conditions cannot guarantee system transient stability in all operating conditions, and the time-domain simulation of all operating conditions requires tremendous time and is often infeasible. This paper proposes a more efficient transient stability assessment method based on deep learning. The binary search method is used to determine the critical clearing time (CCT) in creating training databased by time-domain simulation. This method is fast and accurate with 1 ms resolution. The buses whose CCTs are lower than 200 ms are considered critical buses. Buses close to each other are grouped based on their mutual admittance matrix to reduce the search space of the critical buses. This paper also proposes the generator feature normalization based on the physical model. Case study on the reduced 240-bus WECC system model demonstrates that the proposed method can predict CCT accurately and efficiently.

critical clearing time↗
DOE OSTI2024

Overview of High-Power Wireless Charging Systems and Analysis of Polyphase Wireless Charging System Phase Winding and Resonant Tuning Network Connection Configurations

In spite of the high energy efficiency and environmental benefits of electric vehicles (EVs), adoption rates are increasing at a relatively slow pace, primarily because of EVs’ limited range and long charging durations. To reduce EV charging times to be comparable to refueling times of conventional vehicles, extreme fast charging systems are required. Such charging systems would reduce drivers’ range anxiety and enable long-distance interstate travel with EVs. Here, this substantial target in charging rates with 15–20 minutes of recharging times, requires research and development from grid to batteries with advanced charging systems. Wireless power transfer systems for EV charging applications are flexible, convenient, and highly efficient, and they allow automated charging. This paper reviews the power electronics and winding and resonant tuning network configurations for polyphase wireless power transfer systems for high-power wireless charging applications.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Semi-Implicit Computation of Fast Modes in a Scheme Integrating Slow Modes by a Leapfrog Method Based on a Selective Implicit Time Filter

Abstract A scheme for integration of atmospheric equations containing terms with differing time scales is developed. The method employs a filtered leapfrog scheme utilizing a fourth-order implicit time filter with one function evaluation per time step to compute slow-propagating phenomena such as advection and rotation. The terms involving fast-propagating modes are handled implicitly with an unconditionally stable method that permits application of larger time steps and faster computations compared to fully explicit treatment. Implementation using explicit and recurrent formulation is provided. Stability analysis demonstrates that the method is conditionally stable for any combination of frequencies involved in the slow and fast terms as they approach the origin. The implicit filter used in the method damps the computational modes without noticeably sacrificing the accuracy of the physical mode. TheO[(Δt 4 )] accuracy for amplitude errors achieved by the implicitly filtered leapfrog is preserved in applications where terms responsible for fast propagation are integrated with a semi-implicit method. Detailed formulation of the method for soundproof nonhydrostatic anelastic equations is provided. Procedures for implementation in global spectral shallow-water models are also given. Examples comparing numerical and analytical solutions for linear gravity waves demonstrate the accuracy of the scheme. The performance is also shown in more practical nonlinear applications, where numerical solutions accomplished by the method are evaluated against those computed from a scheme where the slow terms are handled by the third-order Runge–Kutta scheme. It demonstrates that the method is able to accurately resolve fine-scale dynamics of Kelvin–Helmholtz shear instabilities, the evolution of density current, and nonlinear drifts of twin tropical cyclones.

Meteorology & Atmospheric Sciences↗
DOE OSTI2022

Fast Solution of Fully Implicit Runge--Kutta and Discontinuous Galerkin in Time for Numerical PDEs, Part II: Nonlinearities and DAEs

Fully implicit Runge--Kutta (IRK) methods have many desirable accuracy and stability properties as time integration schemes, but high-order IRK methods are not commonly used in practice with large-scale numerical PDEs because of the difficulty of solving the stage equations. This paper introduces a theoretical and algorithmic framework for solving the nonlinear equations that arise from IRK methods (and discontinuous Galerkin discretizations in time) applied to nonlinear numerical PDEs, including PDEs with algebraic constraints. Several new linearizations of the nonlinear IRK equations are developed, offering faster and more robust convergence than the often-considered simplified Newton, as well as an effective preconditioner for the true Jacobian if exact Newton iterations are desired. Inverting these linearizations requires solving a set of block 2 x 2 systems. Under quite general assumptions, it is proven that the preconditioned 2 x 2 operator's condition number is bounded by a small constant close to one, independent of the spatial discretization, spatial mesh, and time step, and with only weak dependence on the number of stages or integration accuracy. Moreover, the new method is built using the same preconditioners needed for backward Euler-type time stepping schemes, so can be readily added to existing codes. The new methods are applied to several challenging fluid flow problems, including the compressible Euler and Navier--Stokes equations, and the vorticity-streamfunction formulation of the incompressible Euler and Navier--Stokes equations. Up to 10th-order accuracy is demonstrated using Gauss IRK, while in all cases fourth-order Gauss IRK requires roughly half the number of preconditioner applications as required by standard Singly diagonally implicit Runge--Kutta methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Fast quantum ghost imaging with a single-photon-sensitive time-stamping camera

Quantum ghost imaging (QGI) leverages correlations between entangled photon pairs to reconstruct an image using light that has never physically interacted with an object. Despite extensive research interest, this technique has long been hindered by slow acquisition speeds, due to the use of raster-scanned detectors or the slow response of intensified cameras. Here, we utilize a single-photon-sensitive time-stamping camera to perform QGI at ultra-low-light levels with rapid data acquisition and processing times, achieving high-resolution and high-contrast images in under 1 min. Our work addresses the trade-off between image quality, optical power, data acquisition time, and data processing time in QGI, paving the way for practical applications in biomedical and quantum-secured imaging.

Mavian, Alex (ORCID:0000000279448830)↗
DOE OSTI2020

Performance and Feature Improvements in Parareal-based Power System Dynamic Simulation

In recent years, a novel Parareal-based approach has been developed for fast transient simulations of large power system interconnections. Parareal belongs to the class of Parallel-in-time algorithms for solution of systems of differential-algebraic equations in parallel over an interval of time. The selection of a reasonably fast and accurate coarse solution is crucial to improve the performance of Parareal algorithm. Semi-analytical solution methods are one promising approach to achieve this goal. They have been investigated, and some preliminary results are presented here. In addition, Parareal-based simulator has been expanded to enable co-simulation with OpenDSS, a widely used open-source distribution system simulator. Preserving the parallel nature of the Parareal approach and taking advantage of the parallel capabilities of the latest versions of OpenDSS, each distribution system can be solved in their entirety on different processors in parallel within the main Parareal simulator. This paper also presents the structure of the transmission and distribution co-simulation and some results with different dynamic models of inverter-based resources in the distribution systems.

Park, Byungkwon↗