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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Proppant embedment in coal and shale: Impacts of stress hardening and sorption

During methane production in CBM reservoirs, the influence of proppant embedment and permeability damage cannot be neglected – especially where the wall-rock is soft. Effective stresses are elevated during methane recovery, increasing both normal loading stress and confinement and simultaneously overprinting sorption-induced volumetric strains. Experiments and analytic modeling are conducted to define key mechanisms controlling these competitive effects. We independently measure overall sample compaction (external LVDT) and local strain (strain gauge) in the matrix to deconvolve proppant embedment in a propped fracture for different conditions of confining stress. The results show symptomatic behaviors of elastic (shale) and elastoplastic (coal) responses of embedment. Different from shale, the evolution of embedment is convex upwards with increased stress where indented depth increases more rapidly as loading stress increases under constant confinement. In addition, a stress-hardening effect is found to play a pivotal role in determining the characteristics of indentation, which are examined in terms of evolution profiles, deformation regimes, embedment slopes, curvatures, yield points and irreversible indentations. Based on the experimental observations a semianalytical model predicts indentation and the evolution of propped permeability under recreated in-situ stress conditions. A simplified case study is conducted to further illustrate the evolution of aperture and permeability of a propped fracture in CBM reservoirs. The modeling results suggest that proppant embedment is significantly overestimated if the variable stress-hardening (VSH) effect is neglected, especially when effective stress is large. Moreover, a decrease in indentation depth possibly occurs during late stage methane production, resulting in a reversal/recovery in fracture closure. This is because desorption-induced shrinkage becomes the predominant effect, causing an increase in aperture and a reduction in the indented volume of proppant. The resulting recovery in permeability implies that the propped coal fracture has the potential to optimally facilitate methane production as a pathway, even at high closure stresses generated by methane drainage.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

The microstructure and He + ion irradiation behavior of novel low-activation W-Ta-Cr-V refractory high entropy alloy for nuclear applications

Microstructure and nanohardness of a nearly equimolar W-Ta-Cr-V high entropy alloy (HEA), as well as its irradiation response under He + irradiation, were investigated. The single-phase body-centered cubic nanostructured alloy with a 1 µm thick layer was fabricated on a silicon substrate using a magnetron sputtering method. The HEA film has a complex microstructure consisting of micrometric domains that exhibit internal nanostructure controlled by their crystal orientation. The measured nanohardness of the W-Ta-Cr-V alloy is 13 ± 2 GPa, which significantly exceeds the hardness of nanocrystalline tungsten as a result of the high solid-solution strengthening effect. In order to evaluate the irradiation resistance of the HEA film, the material was irradiated with 200 keV He + ions at room temperature, with two different ion fluences: 1 × 10 16 and 5 × 10 16 ions/cm 2 . Using transmission electron microscopy, a high density of extremely fine He bubbles is observed that were uniformly distributed in the matrix. The increase of He + ion fluence increased the density of bubbles, whereas their size remained at a similar level, which indicates that the damage proceeds by the nucleation of additional He bubbles, not by their growth.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Direct computation of magnetic surfaces in Boozer coordinates and coil optimization for quasisymmetry

We propose a new method to compute magnetic surfaces that are parametrized in Boozer coordinates for vacuum magnetic fields. We also propose a measure for quasisymmetry on the computed surfaces and use it to design coils that generate a magnetic field that is quasisymmetric on those surfaces. The rotational transform of the field and complexity measures for the coils are also controlled in the design problem. Using an adjoint approach, we are able to obtain analytic derivatives for this optimization problem, yielding an efficient gradient-based algorithm. Starting from an initial coil set that presents nested magnetic surfaces for a large fraction of the volume, our method converges rapidly to coil systems generating fields with excellent quasisymmetry and low particle losses. In particular for low complexity coils, we are able to significantly improve the performance compared with coils obtained from the standard two-stage approach, e.g. reduce losses of fusion-produced alpha particles born at half-radius from $17.7\,\%$ to $6.6\,\%$ . We also demonstrate 16-coil configurations with alpha loss ${<}1\,\%$ and neoclassical transport magnitude $\epsilon _{\text {eff}}^{3/2}$ less than approximately $5\times 10^{-9}$ .

Physics↗
DOE OSTI2023

Proton Dissociation and Delocalization under Stepwise Hydration of Zeolite HZSM-5

The protonation behavior of zeolite Brønsted acid sites (BAS) in the presence of water is important for the performance of these widely used catalysts. Despite extensive study, the number of water molecules necessary for deprotonation is not well understood, in large part because experiments have been unable to access this information. In this work, we report experimental evidence for full deprotonation of the BAS in the presence of two or more water molecules, with a deprotonation energy of 1.6 kcal/mol. Linear IR absorption and 2D IR spectra were measured over a wide range of controlled hydration levels from 0.5 to 8.0 equivalents of H 2 O/Al at a constant temperature. Distinct spectral signatures of the protonated BAS and excess proton are identified, and their hydration dependence is analyzed quantitatively. Using the experiment as a benchmark, ab initio molecular dynamics simulations are reported that reproduce the experimental trends in the protonation state and IR spectra. The proton charge position and delocalization are quantified in clusters of 1–8 H 2 O molecules using the recently developed rCEC method. This analysis provides insight into the proton structure in confined water clusters, showing that the excess charge remains relatively localized between two oxygen atoms across the hydration range.

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

Time of Flight Secondary Ion Mass Spectrometry for Characterization of Pt-Coated Porous Transport Layers in PEM Water Electrolyzers

Titanium-based porous transport layers (PTLs) and iridium-based catalyst layers (CLs) are two main components of proton exchange membrane water electrolyzers (PEMWEs). PTLs are typically coated with platinum to minimize interfacial losses and to support long-term operation. Optimizing coatings and the PTL-CL interface requires comprehensive characterization. This study establishes time-of-flight secondary ion mass spectrometry (ToF-SIMS) as a valuable technique for PTL characterization, addressing capabilities and limitations related to PTL morphology. A methodology was developed that uses a Cs + sputter beam for dynamic depth profiling, with data collected in both positive-ion (MCs + ) and negative-ion modes to generate depth profiles, 2D ion maps, and 3D ion reconstructions. ToF-SIMS detected relative differences in platinum-layer thickness between samples; these trends were validated by cross-sectional scanning transmission electron microscope (STEM) measurements and flat-titanium substrate controls. Interfacial oxide layers are identified in both ion modes, with enhanced oxide sensitivity in negative mode. The technique’s high sensitivity enables detection of nanometer-scale coatings and trace impurities within the bulk PTL structure. These results provide a methodological framework for analyzing Pt-coated PTLs, with the potential to extend to other components in PEMWEs and other electrolyzer systems.

36 MATERIALS SCIENCE↗
DOE OSTI2023

High-Resolution Near-Surface Imaging at the Basin Scale Using Dark Fiber and Distributed Acoustic Sensing: Toward Site Effect Estimation in Urban Environments

Near-surface seismic structure, particularly the shear wave velocity (V s ), can strongly affect local site response, and should be accurately estimated for ground motion prediction during seismic hazard assessment. The Imperial Valley (California), occupying the southern end of the Salton Trough, is a seismically active basin with thick surficial lacustrine sedimentary deposits. In this study, we utilize ambient noise records and local earthquake events for high-resolution near-surface characterization and site effect estimation with an unlit fiber-optic telecommunication infrastructure (dark fiber) in Imperial Valley by using the distributed acoustic sensing (DAS) technique. We apply ambient noise interferometry to retrieve coherent surface waves from DAS records, and evaluate performances of three different surface wave methods on DAS ambient noise dispersion imaging. We develop a quality control workflow to improve the dispersion measurement of noisy portions of the DAS data set by using a data selection strategy. Using the joint inversion of both the fundamental mode and higher overtones of Rayleigh waves, a high resolution two-dimensional (2D) V s structure down to 70 m depth is obtained. We successfully achieve an improved V s 30 (the time-averaged shear-wave velocity in the top 30 m) model with higher spatial-resolution and reliability compared to the existing community model for the area. We also explore the potential for utilizing DAS earthquake events for site amplification estimation. The preliminary results reveal a clear anti-correlation between the approximated site response and the V s 30 profile. In conclusion, our results indicate the potential utility of DAS deployed on dark fiber for near-surface characterization in appropriate contexts.

58 GEOSCIENCES↗
DOE OSTI2023

Polarization-controlled volatile ferroelectric and capacitive switching in Sn 2 P 2 S 6

Abstract Smart electronic circuits that support neuromorphic computing on the hardware level necessitate materials with memristive, memcapacitive, and neuromorphic- like functional properties; in short, the electronic response must depend on the voltage history, thus enabling learning algorithms. Here we demonstrate volatile ferroelectric switching of Sn 2 P 2 S 6 at room temperature and see that initial polarization orientation strongly determines the properties of polarization switching. In particular, polarization switching hysteresis is strongly imprinted by the original polarization state, shifting the regions of non-linearity toward zero-bias. As a corollary, polarization switching also enables effective capacitive switching, approaching the sought-after regime of memcapacitance. Landau–Ginzburg–Devonshire simulations demonstrate that one mechanism by which polarization can control the shape of the hysteresis loop is the existence of charged domain walls (DWs) decorating the periphery of the repolarization nucleus. These walls oppose the growth of the switched domain and favor back-switching, thus creating a scenario of controlled volatile ferroelectric switching. Although the measurements were carried out with single crystals, prospectively volatile polarization switching can be tuned by tailoring sample thickness, DW mobility and electric fields, paving way to non-linear dielectric properties for smart electronic circuits.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

High-dimensional maximum-entropy phase space tomography using normalizing flows

Particle accelerators generate charged-particle beams with tailored distributions in six-dimensional position-momentum space (phase space). Knowledge of the phase space distribution enables model-based beam optimization and control. In the absence of direct measurements, the distribution must be tomographically reconstructed from its projections. In this paper, we highlight that such problems can be severely underdetermined and that entropy maximization is the most conservative solution strategy. We leverage —invertible generative models—to extend maximum-entropy tomography to six-dimensional phase space and perform numerical experiments to validate the model's performance. Our numerical experiments demonstrate consistency with exact two-dimensional maximum-entropy solutions and the ability to fit complicated six-dimensional distributions to large measurement sets in reasonable time. Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Millimeter-Wave Superconducting Qubit

Manipulating the electromagnetic spectrum at the single-photon level is fundamental for quantum experiments. In the visible and infrared ranges, this can be accomplished with atomic quantum emitters, and with superconducting qubits such control is extended to the microwave range (below 10 GHz). Meanwhile, the region between these two energy ranges presents an unexplored opportunity for innovation. We bridge this gap by scaling up a superconducting qubit to the millimeter-wave range (near 100 GHz). Working in this energy range greatly reduces sensitivity to thermal noise compared to microwave devices, enabling operation at significantly higher temperatures, up to 1 K. This has many advantages by removing the dependence on rare 3⁢ He for refrigeration, simplifying cryogenic systems, and providing orders-of-magnitude higher cooling power, lending the flexibility needed for novel quantum sensing and hybrid experiments. Using low-loss niobium trilayer junctions, we realize a qubit at 72 GHz cooled to 0.87 K using only 4 ⁢He. We perform Rabi oscillations to establish control over the qubit state, and measure relaxation and dephasing times of 15.8 and 17.4 ns, respectively. This demonstration of a millimeter-wave quantum emitter offers exciting prospects for enhanced sensitivity thresholds in high-frequency photon detection, provides new options for quantum transduction and for scaling up and speeding up quantum computing, enables integration of quantum systems where 3 ⁢He refrigeration units are impractical, and, importantly, paves the way for quantum experiments exploring a novel energy range.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

An Alternative Timing and Synchronization Approach for Situational Awareness and Predictive Analytics

Accurate and synchronized timing information is required by power system operators for controlling the grid infrastructure (relays, Phasor Measurement Units (PMUs), etc.) and determining asset positions. Satellite-based global positioning system (GPS) is the primary source of timing information. However, GPS disruptions today (both intentional and unintentional) can significantly compromise the reliability and security of our electric grids. A robust alternate source for accurate timing is critical to serve both as a deterrent against malicious attacks and as a redundant system in enhancing the resilience against extreme events that could disrupt the GPS network. To achieve this, we rely on the highly accurate, terrestrial atomic clock-based network for alternative timing and synchronization. In this paper, we discuss an experimental setup for an alternative timing approach. The data obtained from this experimental setup is continuously monitored and analyzed using various time deviation metrics. We also use these metrics to compute deviations of our clock with respect to the National Institute of Standards and Technologys (NIST) GPS data. The results obtained from these metric computations are elaborately discussed. Finally, we discuss the integration of the procedures involved, like real-time data ingestion, metric computation, and result visualization, in a novel microservices-based architecture for situational awareness.

Chinthavali, Supriya↗
DOE OSTI2020

Real-World Distribution System Modeling Framework for Transmission-and-Distribution Cosimulation: Preprint

This paper presents a modeling methodology for realistic distribution system simulation and analysis. The methodology involves three major approaches: utility model conversion, feeder load modeling, and feeder model validation. The feeder models obtained from the utility are converted to the format that is more flexible for analysis and algorithm development. The load profiles down to each node are modeled in detail using advanced metering infrastructure data and supervisory control and data acquisition (SCADA) system measured load data. Then the distribution system models are validated by comparing the simulated feeder-head voltage results and SCADA measured voltage data. To better understand the bulk system operations and the interactions between transmission and distribution systems, the modeled realistic distribution systems are integrated into a transmission-and-distribution cosimulation framework to perform the system simulation from the bulk system down to each node in the distribution system.

load modeling↗
DOE OSTI2025

Quench Simulation and Validation for EIC Direct Wind Magnets

The Electron-Ion Collider (EIC), a new facility to be built in the United States at the U.S. Department of Energy’s Brookhaven National Laboratory in collaboration with Thomas Jefferson National Accelerator Facility-will be the only new particle collider in the U.S. for the next 10∼20 years. The EIC project will investigate the origin of mass and building blocks of the Universe. It will accelerate and collide beams of electrons with protons and nuclei. Unlike any collider that has ever existed before, both EIC’s particle beams will be polarized, meaning their spins will be aligned in a controlled way to allow for precision measurements. Different types of new superconducting magnets will be required near the interaction region (IR) of EIC. A 6-around-1 NbTi cable will be used for some of those new superconducting magnets. Given the relatively smaller conductors used for those direct wind magnets, the overall engineering current density will be 2–3 times higher in comparison to traditional collared superconducting magnets in other accelerator magnets. This is technically challenging and potentially represents high risks for quench protection. Here, in this paper we use different tools and methods for quench simulation for several EIC direct wind magnets. We also present results of a sensitivity study, exploring different material properties and Jc curves. This paper also discusses and validates the quench simulation results with measurement results from a small-scale serpentine magnet tested at BNL in October 2024.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Total-Ionizing-Dose Effects on Read Noise of MLC 3-D NAND Memories T

This paper analyzes the total ionizing dose (TID) effects on noise characteristics of commercial multi-level-cell (MLC) 3-D NAND memory technology during the read operation. Additionally, the chips were exposed to a Co-60 gamma-ray source for up to 100 krad(Si) of TID. We find that the number of noisy cells in the irradiated chip increases with TID. Bit-flip noise was more dominant for cells in an erased state during irradiation compared to programmed cells.

3-D NAND Flash↗
DOE OSTI2022

Mild hybridisation of turboprop engine with high-power-density integrated electric drives

Here this paper shares with the aerospace community a case study of turboprop mild hybridisation using a recently developed integrated drive system in the University of Nottingham, UK, within the ACHIEVE project under EU H2020 CleanSky 2 program (project No. 737814). The developed drive system enables green taxiing of a turboprop aircraft while on the ground with its engine off, and as an electrical generator when the turboprop is in the air. The entire system is designed to be able to integrate within the power auxiliary gear box (PAGB) of a turboprop aircraft. Some of the key features of the developed system include a high-speed permanent magnet machine (up to 14,200rpm) with dual three-phase design, SiC-based high power density (11.8kW/L for the power converter, 35.3kW/L and 7.2kW/kg for the machine active parts), integrated cooling design for high-temperature operation (>130°C ambient temperature), fault tolerance consideration with dual channel operation capabilities and sensorless control for entire operational conditions. This paper is giving an overview of the design process of the electrical machine, power converters, and its cooling of the entire drive. Numerical analysis (FEM and CFD) and some experimental results are presented to demonstrate the effectiveness and the desired performance of the developed integrated drive system.

42 ENGINEERING↗
DOE OSTI2020

Accelerating Large-Format Metal Additive Manufacturing: How Controls R&D is Driving Speed, Scale, and Efficiency

This article highlights work at Oak Ridge National Laboratory’s Manufacturing Demonstration Facility to develop closed-loop, feedback control for laser-wire based Directed Energy Deposition, a form of metal Big Area Additive Manufacturing (m-BAAM), a process being developed in partnership with GKN Aerospace specifically for the production of Ti-6Al-4V pre-forms for aerospace components. A large-scale structural demonstrator component is presented as a case-study in which not just control, but the entire 3D printing workflow for m-BAAM is discussed in detail, including design principles for large-format metal AM, toolpath generation, parameter development, process control, and system operation, as well as post-print net-shape geometric analysis and finish machining. In terms of control, a multi-sensor approach has been utilized to measure both layer height and melt pool size, and multiple modes of closed-loop control have been developed to manipulate process parameters (laser power, print speed, deposition rate) to control these variables. Layer height control and melt pool size control have yielded excellent local (intralayer) and global (component-level) geometry control, and the impact of melt pool size control in particular on thermal gradients and material properties is the subject of continuing research. Further, these modes of control have allowed the process to advance to higher deposition rates (exceeding 7.5 lb/hr), larger parts (1-meter scale), shorter build times, and higher overall efficiency. The control modes are examined individually, highlighting their development, demonstration, and lessons learned, and it is shown how they operate concurrently to enable the printing of a large-scale, near net shape Ti-6Al-4V component.

Gibson, Brian↗
DOE OSTI2020

XPS guide: Charge neutralization and binding energy referencing for insulating samples

This guide deals with methods to control surface charging during XPS analysis of insulating samples and approaches to extracting useful binding energy information. Furthermore, the guide summarizes the causes of surface charging, how to recognize when it occurs, approaches to minimize charge buildup, and methods used to adjust or correct XPS photoelectron binding energies when charge control systems are used. Additionally, there are multiple ways to control surface charge buildup during XPS measurements and examples of systems on advanced XPS instruments are described. There is no single, simple, and foolproof way to extract binding energies on insulating material, but advantages and limitations of several approaches are described. Because of the variety of approaches and limitations of each it is critical for researchers to accurately describe the procedures that have been applied in research reports and publications.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Scanning Probe Microscopy in the Information Age

Scanning probe microscopy (SPM) has brought scientific exploration, visualization, and control to nanoscale. A plethora of measurement approaches and techniques devised around SPM enabled probing structure and functionalities crucial for virtually all areas of science. While high-resolution electron microscopy techniques preceded scanning probes, SPM effectively opened the door to probing the structure–property relationship on length scales spanning 100s of micrometers down to a single atom. As the complexity of the material systems and the scientific questions increased, so too did the SPM techniques. Substantial efforts have been dedicated toward the development of better instrumentation platforms, probes, and novel spectroscopic measurements; however, many opportunities related to data processing and acquisition in SPM are just being realized now. This chapter will describe the recent progress in data-driven SPM by giving a broad overview of the field, the foundation of the scanning tunneling microscope (STM) and the atomic force microscope (AFM), as well as a description behind the operating principles and dynamic modes. A comprehensive overview of the multi-frequency techniques, Band excitation, and general acquisition mode SPM is given, setting the context for the application of big data, machine learning, and artificial intelligence in the field of dynamic SPM.

Collins, Liam↗
DOE OSTI2020

Quandary

Quandary numerically simulates and optimizes the time-evolution of open quantum systems. The underlying dynamics are modelled by Lindblad's master equation, a linear ordinary differential equation (ODE) describing quantum systems interacting with the environment. Quandary solves this ODE numerically by applying a time-stepping integration scheme, and utilizes a gradient-based optimization approach to determine optimal control pulses that drive the quantum system to a desired target state. Two optimization objectives are considered: (a) Unitary gate optimization that finds controls to realize a unitary gate transformation, and (b) optimal reset that aims to drive the quantum system to the ground states. Gradient-based optimization schemes utilizing Petsc's Tao optimization package are applied to generate control pulses that minimize the respective measure. To evaluate the gradient of the objective function, the discrete adjoint method is used while leveraging techniques from Algorithmic Differentiation to produce exact and consistent gradients. To mitigate excessive execution run times, the software can be build together with the XBraid software library which provides a parallelization strategy to distribute the time-evolution of the underlying dynamics onto multiple processor.

Petersson, NilsA.↗