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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Revolutionizing Lithium Storage Capabilities in TiO 2 by Expanding the Redox Range

TiO 2 is a widely recognized intercalation anode material for lithium-ion batteries (LIBs), yet its practical capacity is kinetically constrained due to sluggish lithium-ion diffusion, leading to a lithiation number of less than 1.0 Li + (336 mAh g -1 ). Here, the growth of TiO 2 crystallites is restrained by integrating Si into the TiO 2 framework, thereby enhancing the charge transfer and creating additional active sites potentially residing at grain boundaries for Li + storage. This strategy is corroborated by the expanded redox range of Ti, as thoroughly demonstrated via synchrotron radiation-based X-ray spectroscopy and Cs-corrected electron microscopy. Consequently, when deployed for lithium storage, the tailored material achieves an extraordinarily high reversible capacity of 559 mAh g -1 , 116% of the theoretical maximum of 483 mAh g -1 calculated based on all active species, while simultaneously retaining superior rate capability and robust cycling stability. Further, this work offers fresh perspectives on the revitalization of traditional electrode materials to achieve enhanced capacities.

25 ENERGY STORAGE↗
DOE OSTI2021

A Benchmark to Test Generalization Capabilities of Deep Learning Methods to Classify Severe Convective Storms in a Changing Climate

Abstract This is a test case study assessing the ability of deep learning methods to generalize to a future climate (end of 21st century) when trained to classify thunderstorms in model output representative of the present‐day climate. A convolutional neural network (CNN) was trained to classify strongly rotating thunderstorms from a current climate created using the Weather Research and Forecasting model at high‐resolution, then evaluated against thunderstorms from a future climate and found to perform with skill and comparatively in both climates. Despite training with labels derived from a threshold value of a severe thunderstorm diagnostic (updraft helicity), which was not used as an input attribute, the CNN learned physical characteristics of organized convection and environments that are not captured by the diagnostic heuristic. Physical features were not prescribed but rather learned from the data, such as the importance of dry air at mid‐levels for intense thunderstorm development when low‐level moisture is present (i.e., convective available potential energy). Explanation techniques also revealed that thunderstorms classified as strongly rotating are associated with learned rotation signatures. Results show that the creation of synthetic data with ground truth is a viable alternative to human‐labeled data and that a CNN is able to generalize a target using learned features that would be difficult to encode due to spatial complexity. Most importantly, results from this study show that deep learning is capable of generalizing to future climate extremes and can exhibit out‐of‐sample robustness with hyperparameter tuning in certain applications.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Non-topotactic reactions enable high rate capability in Li-rich cathode materials

High-rate cathode materials for Li-ion batteries require fast Li transport kinetics, which typically rely on topotactic Li intercalation/de-intercalation because it minimally disrupts Li transport pathways. In contrast to this conventional view, here we demonstrate that the rate capability in a Li-rich cation-disordered rocksalt cathode can be significantly improved when the topotactic reaction is replaced by a non-topotactic reaction. The fast non-topotactic lithiation reaction is enabled by facile and reversible transition metal octahedral-to-tetrahedral migration, which improves rather than impedes Li transport. Using this concept, we show that high-rate performance can be achieved in Mn- and Ni-based cation-disordered rocksalt materials when some of the transition metal content can reversibly switch between octahedral and tetrahedral sites. Overall, this study provides a new perspective on the design of high-performance cathode materials by demonstrating how the interplay between Li and transition metal migration in materials can be conducive to fast non-topotactic Li intercalation/de-intercalations.

25 ENERGY STORAGE↗
DOE OSTI2023

Twin-pulse seeding enables pump-probe capabilities in the EUV to soft X-ray spectrum at synchrotron light sources

Having previously reported that separating the two stages of echo-enabled harmonic generation (EEHG) with one or more bending magnet (BM) sections allows the BMs to serve as the desired source of momentum compaction, here we demonstrate that this arrangement can greatly reduce the total energy modulation required by any 4th generation synchrotron light source, leading to higher repetition rates as well as stronger coherent radiation output power, with significant benefits. Since the EEHG beamline performance is mainly determined by the momentum compaction, beam emittances and beta functions of a storage ring lattice, allowing for different separations between the two stages is a straightforward way to increase the momentum compaction of chicane 1. This also enables pump-probe capabilities in a novel context, where twin-pulse seeding on the same electron bunch would allow two distinct radiation pulses with an adjustable delay in the range of 0.1 to 10 ps. In the twin-pulse seeding scheme, the same electron bunch could undergo modulation from two distinct laser pulses. Later stages would produce independent harmonics in subsequent straight sections. There are two variations of this twin-pulse seeding scheme, supporting different scientific applications. With a common modulation in stage 1, the first option allows simultaneously two independent radiation sources, with a full coverage of the EUV (2.5 to 50 nm) to soft X-ray (1.25 to 2.5 nm) spectrum; for the second option, the same stage 2 undulator could generate two coherent pulses both fitting within the FEL bandwidth, or at distinct harmonics. We present particle tracking simulation studies based on the APS-U lattice, including quantum excitation and radiation damping. These simulations indicate that there is no degradation of the modulated longitudinal phase space even when the two stages are separated by as many as 10 BM sections.

36 MATERIALS SCIENCE↗
DOE OSTI2025

HunStat2 – a simple and low-cost potentiostat with electrochemical impedance spectroscopy capability

We have developed a low-cost (30 USD), simple do-it-yourself (DIY) potentiostat with cyclic voltammetry (CV), open circuit potential (OCP) and electrochemical impedance spectroscopy (EIS) capability. The HunStat2 potentiostat is based on Analog Devices' AD5941 Analog Front End chip, which significantly simplifies the construction of potentiostats for both direct and alternating current (DC and AC, respectively) techniques. Interested readers are provided with circuit diagrams and a bill of materials to build the potentiostat on their own. In addition, control software is also provided free of charge. The software enables acquisition and visualization of data. In summary, HunStat2 introduces a simple and low-cost DIY potentiostat recommended for both analytical and educational purposes.

Vamos, Istvan [Lajos Petrik Vocational Chemistry S↗
DOE OSTI2025

A new quinoline-based cobalt( II ) catalyst capable of bifunctional water splitting

We report on a new water-soluble cobalt( II ) complex capable of water splitting bifunctionality, i.e., water reduction and water oxidation. The species [Co II (L Qpy )H 2 O]ClO 4 (1), where L Qpy is the deprotonated form of the new tripodal ligand N 1 ,N 1 -bis(pyridin-2-ylmethyl)-N 2 -(quinolin-8-yl)benzene-1,2-diamine, HL Qpy , was developed aiming to replace an oxidation prone methylene group by a sturdy and redox stable quinoline. The molecular and electronic structures of 1 were evaluated by multiple spectroscopic, spectrometric, electrochemical and computational methods, and detailed pre- and post-catalytic studies were conducted to ascertain the molecular nature of the conversions. Complex 1 performs water reduction at a low onset overpotential (η) of 0.65 V at pH 7, reaching TON 3h 2900 (TOF 970 h −1 ) and TON 18h 12 100 (TOF 672 h −1 ) with up to 98% faradaic efficiency (FE). Species 1 also promotes water oxidation at η = 0.34 V under pH 8, achieving TON 3h 193 (TOF 64 h −1 ) at 84% FE. Experimental and DFT results enabled us to propose reaction intermediates and mechanisms.

Lucecki, Carlos A. [Wayne State University, Detroi↗
DOE OSTI2024

DIRAC current, upcoming and planned capabilities and technologies

DIRAC is the interware for building and operating large scale distributed computing systems. It is adopted by multiple collaborations from various scientific domains for implementing their computing models. DIRAC provides a framework and a rich set of ready-to-use services for Workload, Data and Production Management tasks of small, medium and large scientific communities having different computing requirements. The base functionality can be easily extended by custom components supporting community specific workflows. DIRAC is at the same time an aging project, and a new DiracX project is taking shape for replacing DIRAC in the long term. This contribution will highlight DIRAC’s current, upcoming and planned capabilities and technologies, and how the transition to DiracX will take place. Examples include, but are not limited to, adoption of security tokens and interactions with Identity Provider services, integration of Clouds and High Performance Computers, interface with Rucio, improved monitoring and deployment procedures.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Geospatial Capabilities to Couple Hazard and Social Vulnerability Data in Water Distribution Criticality Analysis

A resilience analysis of a water distribution system is greatly enhanced by the integration of up-to-date geospatial data describing the water system, hazards, and surrounding community. The Water Network Tool for Resilience (WNTR), an open-source Python package designed to simulate and analyze the resilience of water distribution systems, was recently updated to incorporate geographic information system (GIS) data into the resilience analysis. This paper describes the GIS capabilities and includes a case study using the drinking water distribution system model for a large city in Pennsylvania. The case study focuses on potential pipe damage from landslides and on pipes that are particularly difficult to repair. The analysis couples data on hazards, social vulnerability, and the location of emergency services to identify and prioritize high-impact critical infrastructure for mitigation. Results demonstrate that pipes can be prioritized for mitigation based on water shortage and vulnerable populations that are affected. In conclusion, the methods can be adopted for general use and are available as part of the WNTR software.

GIS, landslide↗
DOE OSTI2020

Developing a camera-based 3D momentum imaging system capable of 1 Mhits/s

A camera-based three-dimensional (3D) imaging system with a superb time-of-flight (TOF) resolution and multi-hit capability was recently developed for electron/ion imaging [Lee et al. J. Chem. Phys. 141, 221101 (2014)]. In this work, we report further improvement of the event rate of the system by adopting an event-driven camera, Tpx3Cam, for detecting the 2D positions of electrons, while a high-speed digitizer provides highly accurate (~30 ps) TOF information for each event at a rate approaching 1 Mhits/sec.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Multi-pulse time resolved gamma ray spectroscopy of the advanced radiographic capability using gas Cherenkov diagnostics

The advanced radiographic capability located at the National Ignition Facility (NIF) uses high intensity, short pulse lasers to create bright photon sources for diagnosing high energy density experiments. There are radiographic needs for a multi-frame time-resolved MeV gamma diagnostic for experiments on the NIF with sub-nanosecond resolution. A series of experiments demonstrated measurements of MeV x-ray spectra resolved with a time separation of a few nanoseconds through the use of gas Cherenkov detectors. In this work, a two-pulse radiographic experiment found a 30% reduction in > 2.8 MeV photon flux compared to the first frame exposure.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Simulations of wavelength-multiplexed holography for single-shot spatiotemporal characterization of NIF’s advanced radiographic capability (ARC) laser

We simulate the use of a newly developed single-shot wavelength-multiplexed holography-based diagnostic, STRIPED FISH, to fully characterize the as-delivered laser pulses of the National Ignition Facility’s Advanced Radiographic Capability (NIF-ARC) laser. To that end, we have performed simulations of the NIF-ARC pulse incorporating (a) a time-integrated spatial-profile measurement and a complete temporal-intensity-and-phase measurement using a frequency resolved optical gating, but without any spatiotemporal pulse characterizations, and (b) simulated first-order spatiotemporal distortions, which could be measured on a single shot if a STRIPED FISH device were deployed.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Extension of charged-particle spectrometer capabilities for diagnosing implosions on OMEGA, Z, and the NIF

New designs and a new analysis technique have been developed for an existing compact charged-particle spectrometer on the NIF and OMEGA. The new analysis technique extends the capabilities of this diagnostic to measure arbitrarily shaped ion spectra down to 1 MeV with yields as low as 10 6 . Three different designs are provided optimized for the measurement of DD protons, T 3 He deuterons, and 3 He 3 He protons. The designs are highly customizable, and a generalized framework is provided for optimizing the design for alternative applications. Additionally, the understanding of the detector’s response and uncertainties is greatly expanded upon. A new calibration procedure is also developed to increase the precision of the measurements.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Code-to-code comparison and validation of the radiation-hydrodynamics capabilities of the FLASH code using a laboratory astrophysical jet

The potential for laser-produced plasmas to yield fundamental insights into high energy density physics (HEDP) and deliver other useful applications can sometimes be frustrated by uncertainties in modeling the properties and behavior of these plasmas using radiation-hydrodynamics codes. In an effort to overcome this and to corroborate the accuracy of the HEDP capabilities in the publicly available FLASH radiation-hydrodynamics code, we present detailed code-to-code comparisons between FLASH and the HYDRA code developed at Lawrence Livermore National Laboratory using previously published HYDRA simulations from Grava et al. [Phys. Rev. E 78, 016403 (2008)]. That study describes a laser experiment that produced a jet-like feature that the authors compare to astrophysical jets. Importantly, the Grava et al. [Phys. Rev. E 78, 016403 (2008)] experiment included detailed x-ray interferometric measurements of electron number densities and a time-integrated measurement of the soft x-ray spectrum. Despite markedly different methods for treating the computational mesh, and different equations of state and opacity models, the FLASH results resemble the results from HYDRA and, most importantly, the experimental measurements of electron density. Having validated the FLASH code in this way, we use the code to further investigate and understand the formation of the jet seen in the Grava et al. [Phys. Rev. E 78, 016403 (2008)] experiment and discuss its relation to the Wan et al. [Phys. Rev. E 55, 6293 (1997)] experiment at the NOVA laser.

Orban, Chris (ORCID:0000000312004538)↗
DOE OSTI2022

The development of a high-resolution Eulerian radiation-hydrodynamics simulation capability for laser-driven Hohlraums

Hohlraums are hollow cylindrical cavities with high-Z material walls used to convert laser energy into uniform x-ray radiation drives for inertial confinement fusion capsule implosions and high energy density physics experiments. Credible computational modeling of hohlraums requires detailed modeling and coupling of laser physics, hydrodynamics, radiation transport, heat transport, and atomic physics. We report on improvements to Los Alamos National Laboratory's xRAGE radiation-hydrodynamics code in order to enable hohlraum modeling. xRAGE's Eulerian hydrodynamics and adaptive mesh refinement make it uniquely well suited to study the impacts of multiscale features in hohlraums. In order to provide confidence in this new modeling capability, we demonstrate xRAGE's ability to produce reasonable agreement with data from several benchmark hohlraum experiments. We also use xRAGE to perform integrated simulations of a recent layered high density carbon capsule implosion on the National Ignition Facility in order to evaluate the potential impacts of the capsule support tent, mixed cell conductivity methodologies, plasma transport, and cross-beam energy transfer (XBT). We find that XBT, seeded by plasma flows in the laser entrance hole (LEH), causes a slight decrease in energy coupling to the capsule and that all of these impact the symmetry of the x-ray drive such that they have an appreciable impact on the capsule implosion shape.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Characterization of a 1D-imaging high-energy x-ray backlighter driven by the National Ignition Facility Advanced Radiographic Capability laser

Plastic deformation of samples compressed to Mbar pressures at high strain rates at the National Ignition Facility (NIF) forms the basis of ongoing material strength experiments in conditions relevant to meteor impacts, geophysics, armor development, and inertial confinement fusion. Hard x-ray radiography is the primary means of measuring the evolution of these samples, typically employing a slit-collimated high-Z microdot driven by the NIF laser to generate >40 keV x rays [E. Gumbrell et al., Rev. Sci. Instrum. 89, 10G118 (2018) and C. M. Huntington et al., Rev. Sci. Instrum. 89, 10G121 (2018)]. Alternatively, a dysprosium “micro-flag” target driven by the Advanced Radiographic Capability laser (~2 kJ, 10 ps) can deliver significantly higher spatiotemporal resolution [M. P. Hill et al., Rev. Sci. Instrum. 92, 033535 (2021)], especially in high-opacity samples. Here, initial experiments revealed problematic brightness and spectral gradients from this source, but by radiographing a set of diamond-turned, 105 µm-thick Pb test objects and supported by simulations using the 3D Monte Carlo code GEANT4, these geometry-dependent gradients across the field of view are quantified and mitigation strategies are assessed. In addition to significantly enhancing the modulation transfer function compared to the existing system, image stacking from multiple layers of image plate is shown to almost double the signal to noise ratio that will reduce uncertainties in future dynamic strength experiments.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Development of a bright MeV photon source with compound parabolic concentrator targets on the National Ignition Facility Advanced Radiographic Capability (NIF-ARC) laser

Compound parabolic concentrator (CPC) targets are utilized at the National Ignition Facility Advanced Radiographic Capability (NIF-ARC) laser to enhance the acceleration of electrons and production of high energy photons, for laser durations of 10 ps and energies up to 2.4 kJ. A large enhancement of mean electron energy (>2 ×) and photon brightness (>10×) is found with CPC targets compared to flat targets. Using multiple diagnostic techniques at different spatial locations and scaling by gold activation spatial data, photon spectra are characterized for E photon = 0.5-30 MeV. Beam width and pointing variations are given. The efficient production of MeV photons at I laser ≈ 2 x 10 18 W/cm 2 with CPCs is observed, with doses of >10 rad in air at 1 m for E photon > 0.5 MeV; these exceed those previously reported with laser-driven sources. Using this source, sub-mm resolution radiographs are generated through large areal density radiograph objects. Hence these results are promising for the development of bright MeV x-ray and particle sources on Petawatt class laser systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

What next: Further implosion space exploration on the path to NIF extended yield capability

We present quantitative motivations and assessments of various proposed and ongoing directions to further improving yields and target gain of igniting indirect-drive implosions at the National Ignition Facility (NIF). These include increasing compression and confinement time, improving hohlraum and ablator efficiency, and further increasing peak power and laser energy. 1D hydroscaled simulations, augmented by analytic 1D theory, have been used to project yield improvements for each of these implosion optimization tracks, normalized to the best current performing 4 MJ shot. At current NIF capabilities of 2.2 MJ, 450 TW, we project several paths could reach 15 MJ yield levels. We also expect several key implosion physics questions will be addressed in attempting to reach this yield level. These include demonstrating to what extent lower adiabat designs leading to higher compression will increase gain and efficiency, and whether we can reduce residual kinetic energy and ablator-fuel mix that is probably limiting the current burn-up fraction. For an envisaged NIF upgrade to EL = 3 MJ at fixed 450 TW peak power, scaling capsule size and fuel thicknesses faster than pure hydroscaling should allow for yields that could reach up to 60–80 MJ, depending on the efficiency gains realized in increasing deuterium-tritium fuel thickness, reducing hohlraum losses, and switching to lower Z ablators. The laser-plasma instability and beam transmission scaling in these larger hohlraums is shown to be favorable if the spot size is increased with hohlraum scale.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Introducing new resonant soft x-ray scattering capability in SSRL

Resonant soft x-ray scattering (RSXS) is a powerful technique for probing both spatial and electronic structures within solid-state systems. Here, we present a newly developed RSXS capability at beamline 13-3 of the Stanford Synchrotron Radiation Lightsource, designed to enhance materials science research. This advanced setup achieves a base sample temperature as low as 9.8 K combined with extensive angular motions (azimuthal ϕ and flipping χ), enabling comprehensive exploration of reciprocal space. Two types of detectors—an Au/GaAsP Schottky photodiode and a charge-coupled device detector with over 95% quantum efficiency—are integrated to effectively capture scattered photons. Extensive testing has confirmed the enhanced functionality of this RSXS setup, including its temperature and angular performance. The versatility and effectiveness of the system have been demonstrated through studies of various materials, including superlattice heterostructures and high-temperature superconductors.

Kuo, Cheng-Tai [SLAC National Accelerator Laborato↗