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At least 1,693 records · Page 94

High-temperature electrochemical performance of low-cost La–Ni–Fe based hydrogen storage alloys with different preparation methods

Highlights: • Effects of four different preparation processes were studied at 20/60 °C. • All NS + HT, RS and RS + HT processes can optimize the thermodynamic performance. • The HT process can provoke the precipitation of A{sub 2}B{sub 7} and leads to a poor cycling life. • Al exhibits the most remarkable dissolution for all the alloys, especially at 60 °C. - Abstract: In order to optimize the microstructure and high temperature electrochemical performances of low-cost AB{sub 5}-type Ml(NiMnAl){sub 4.2}Co{sub 0.3}Fe{sub 0.5} hydrogen storage electrode alloys, four different preparation methods including normal solidification (NS), normal solidification and 900 °C heat treatment (NS + HT), rapid solidification (RS), rapid solidification and 900 °C heat treatment (RS + HT) were adopted in this work. All alloys exhibit CaCu{sub 5} type hexagonal structure and there is a small amount of A{sub 2}B{sub 7} phase in NS + HT and RS + HT alloys. It is found the using of HT process can decrease the hydrogen equilibrium plateau pressure, the plateau slope and hysteresis at 40, 60 and 80 °C. The NS + HT and RS + HT alloys also possess better activation, high rate discharge performance, larger discharge capacity, but poor cycling performance due to the existence of A{sub 2}B{sub 7} phase which can accelerate dissolution of Ni, Mn and Fe elements in KOH alkaline electrolyte. The RS process can make alloy exhibit the best cycling performance especially at 60 °C.

36 MATERIALS SCIENCE↗

MO-AB-BRA-03: Development of Novel Real Time in Vivo EPID Treatment Verification for Brachytherapy

Purpose: High Dose Rate (HDR) brachytherapy treatments are employed worldwide to treat a wide variety of cancers. However, in vivo dose verification remains a challenge with no commercial dosimetry system available to verify the treatment dose delivered to the patient. We propose a novel dosimetry system that couples an independent Monte Carlo (MC) simulation platform and an amorphous silicon Electronic Portal Imaging Device (EPID) to provide real time treatment verification. Methods: MC calculations predict the EPID response to the photon fluence emitted by the HDR source by simulating the patient, the source dwell positions and times, and treatment complexities such as tissue compositions/densities and different applicators. Simulated results are then compared against EPID measurements acquired with ∼0.14s time resolution which allows dose measurements for each dwell position. The EPID has been calibrated using an Ir-192 HDR source and experiments were performed using different phantoms, including tissue equivalent materials (PMMA, lung and bone). A source positioning accuracy of 0.2 mm, without including the afterloader uncertainty, was ensured using a robotic arm moving the source. Results: An EPID can acquire 3D Cartesian source positions and its response varies significantly due to differences in the material composition/density of the irradiated object, allowing detection of changes in patient geometry. The panel time resolution allows dose rate and dwell time measurements. Moreover, predicted EPID images obtained from clinical treatment plans provide anatomical information that can be related to the patient anatomy, mostly bone and air cavities, localizing the source inside of the patient using its anatomy as reference. Conclusion: Results obtained show the feasibility of the proposed dose verification system that is capable to verify all the brachytherapy treatment steps in real time providing data about treatment delivery quality and also applicator/structure motion during or between treatments.

60 APPLIED LIFE SCIENCES↗

A Novel Form of Breast Intraoperative Radiation Therapy With CT-Guided High-Dose-Rate Brachytherapy: Results of a Prospective Phase 1 Clinical Trial

Purpose: Existing intraoperative radiation therapy (IORT) techniques are criticized for the lack of image guided treatment planning and energy deposition with, at times, poor resultant dosimetry and low radiation dose. We pioneered a novel method of IORT that incorporates customized, computed tomography (CT)-based treatment planning and high-dose-rate (HDR) brachytherapy to overcome these drawbacks: CT-HDR-IORT. Methods and Materials: A phase 1 study was conducted to demonstrate the feasibility and safety of CT-HDR-IORT. Eligibility criteria included age ≥50 years, invasive or in situ breast cancer, tumor size <3 cm, and N0 disease. Patients were eligible before or within 30 days of breast-conserving surgery (BCS). BCS was performed, and a multilumen balloon catheter was placed. CT images were obtained, a customized HDR brachytherapy plan was created, and a dose of 12.5 Gy was delivered to 1-cm depth from the balloon surface. The catheter was removed, and the skin was closed. The primary endpoints were feasibility and acute toxicity. Feasibility was defined as IORT treatment interval (time from CT acquisition until IORT completion) ≤90 minutes. The secondary endpoints included dosimetry, cosmetic outcome, quality of life, and late toxicity. Results: Twenty-eight patients were enrolled. The 6-month follow-up assessments were completed by 93% of enrollees. The median IORT treatment interval was 67.2 minutes (range, 50-108 minutes). The treatment met feasibility criteria in 26 women (93%). The dosimetric goals were met in 22 patients (79%). There were no Radiation Therapy Oncology Group grade 3+ toxicities; 6 patients (21%) experienced grade 2 events. Most patients (93%) had good/excellent cosmetic outcomes at the last follow-up visit. Conclusions: CT-HDR-IORT is feasible and safe. This promising approach for a conformal, image-based, higher-dose breast IORT is being evaluated in a phase 2 trial.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

An Analytical Solution for Yaw Maneuver Optimization on the International Space Station and Other Orbiting Space Vehicles

This paper presents a new method for optimizing yaw maneuvers, which are the most common large maneuvers on the International Space Station (ISS). The goal of the maneuver optimization is to find a maneuver trajectory with minimal torques acting on the vehicle during the maneuver. Therefore, the thruster firings necessary to perform the maneuver are minimized. Reduction of thruster firings saves propellant and decreases structural loads and contamination of the vehicle critical elements, thus saving the service life of the thrusters and the vehicle itself. Equations describing the pitch and roll motion needed to counteract the major torques during a yaw maneuver are obtained. Also, a yaw rate profile is suggested. In the obtained optimized case, the torques are significantly reduced. The proposed approximate analytical solution does not require extensive computer resources and, therefore, can be implemented using software onboard the ISS. As a result, the maneuver execution will be automatic. This is one of the major benefits of the simplified solution presented in this paper with respect to existing computational approaches. The suggested maneuver optimization method can be used not only for the ISS, but for other space vehicles as well.

Dobrinskaya, Tatiana↗

A Remote, Human-in-the-Loop Evaluation of a Multiple-Drone Delivery Operation

Over time, advances in unmanned aircraft systems (UAS) have enabled a shift in the operational paradigm from one operator managing one aircraft to that of multiple operators working together to manage multiple aircraft. This shift has highlighted the need for effective human-autonomy teaming methods to maintain manageable workload levels for operators as well as high standards of system performance and safety. This paper presents a study aimed at evaluating whether automation can help operators manage workload during small UAS (sUAS) package delivery scenarios featuring contingency situations. These contingency situations, resulting from unplanned UAS Volume Reservations (UVRs), required flight path reroutes for multiple aircraft simultaneously. The study manipulated the number of aircraft affected by the UVRs and the level of automation support. The presence of terrain conflicts was also controlled within each scenario. Due to the COVID-19 pandemic, subjects were not able to gain direct access to the Ground Control System (GCS). Therefore, the study was conducted using a subject-surrogate paradigm that required subjects to relay commands through a verbal protocol from remote locations outside of the lab to a researcher surrogate who had direct control of the GCS interfaces at the lab location. Results show that the automated support condition was associated with faster reroute response times, more efficient reroute maneuvers, and significantly lower levels of perceived workload than the manual reroute condition. However, the automation support level did not significantly impact pilots’ ability to avoid the UVR successfully; pilots were overwhelmingly capable of avoiding the UVR in all conditions. The presence of terrain conflicts primarily impacted pilot performance by leading to multiple uploads per vehicle, which was not typically required when pilots only needed to maneuver laterally. Although subjects did not have direct control over the GCS, subjective ratings indicate that the displays under test provided them with sufficient information to manage their aircraft and promptly respond to the unplanned UVRs. Overall, the objective and subjective data strongly suggest that the verbal protocol and subject-surrogate paradigm were effective methods for collecting data remotely amid the COVID-19 pandemic.

multi-UAS↗

A COMPARISON OF FLARE FORECASTING METHODS. I. RESULTS FROM THE “ALL-CLEAR” WORKSHOP

Solar flares produce radiation that can have an almost immediate effect on the near-Earth environment, making it crucial to forecast flares in order to mitigate their negative effects. The number of published approaches to flare forecasting using photospheric magnetic field observations has proliferated, with varying claims about how well each works. Because of the different analysis techniques and data sets used, it is essentially impossible to compare the results from the literature. This problem is exacerbated by the low event rates of large solar flares. The challenges of forecasting rare events have long been recognized in the meteorology community, but have yet to be fully acknowledged by the space weather community. During the interagency workshop on “all clear” forecasts held in Boulder, CO in 2009, the performance of a number of existing algorithms was compared on common data sets, specifically line-of-sight magnetic field and continuum intensity images from the Michelson Doppler Imager, with consistent definitions of what constitutes an event. We demonstrate the importance of making such systematic comparisons, and of using standard verification statistics to determine what constitutes a good prediction scheme. When a comparison was made in this fashion, no one method clearly outperformed all others, which may in part be due to the strong correlations among the parameters used by different methods to characterize an active region. For M-class flares and above, the set of methods tends toward a weakly positive skill score (as measured with several distinct metrics), with no participating method proving substantially better than climatological forecasts.

79 ASTRONOMY AND ASTROPHYSICS↗

Robust Period Estimation Using Mutual Information for Multiband Light Curves in the Synoptic Survey Era

The Large Synoptic Survey Telescope (LSST) will produce an unprecedented amount of light curves using six optical bands. Robust and efficient methods that can aggregate data from multidimensional sparsely sampled time-series are needed. Here, we present a new method for light curve period estimation based on quadratic mutual information (QMI). The presented method does not assume a particular model for the light curve nor its underlying probability density and it is robust to non-Gaussian noise and outliers. By combining the QMI from several bands the true period can be estimated even when no single-band QMI yields the period. Period recovery performance as a function of average magnitude and sample size is measured using 30,000 synthetic multiband light curves of RR Lyrae and Cepheid variables generated by the LSST Operations and Catalog simulators. The results show that aggregating information from several bands is highly beneficial in LSST sparsely sampled time-series, obtaining an absolute increase in period recovery rate up to 50%. We also show that the QMI is more robust to noise and light curve length (sample size) than the multiband generalizations of the Lomb–Scargle and AoV periodograms, recovering the true period in 10%–30% more cases than its competitors. A python package with efficient Cython implementations of the QMI and other methods is provided.

79 ASTRONOMY AND ASTROPHYSICS↗

Temperature-dependent Battery Performance of a Na 3 V 2 (PO 4 ) 2 F 3 @MWCNT Cathode and In-situ Heat Generation on Cycling

Excellent structural stability, high operating voltage, and high capacity have made Na 3 V 2 (PO 4 ) 2 F 3 a promising cathode material for sodium-ion batteries. However, high-temperature battery performances and heat generation measurements have not been systematically reported yet. Carbon-coated Na 3 V 2 (PO 4 ) 2 F 3 @MWCNT (multi-walled carbon nanotube) samples are fabricated by a hydrothermal-assisted sol-gel method and the electrochemical performances are evaluated at three different temperatures (25, 45, and 55 °C). Furthermore, the well-crystallized Na 3 V 2 (PO 4 ) 2 F 3 @MWCNT samples exhibit good cycling stability at both low and high temperatures; they deliver an initial discharge capacity of 120–125 mAhg -1 at a 1 C rate with a retention of 53 % capacity after 1,400 cycles with 99 % columbic efficiency. The half-cell delivers a capacity of 100 mAhg -1 even at a high rate of 10 C at room temperature. Furthermore, the Na 3 V 2 (PO 4 ) 2 F 3 @MWCNT samples show good long-term durability; the capacity loss is an average of 0.05 % per cycle at a 1 C rate at 55 °C. Additionally, ionic diffusivity and charge transfer resistance are evaluated as functions of state of charge, and they explain the high electrochemical performance of the Na 3 V 2 (PO 4 ) 2 F 3 @MWCNT samples. In-situ heat generation measurements reveal reversible results upon cycling owing to the high structural stability of the material. Excellent electrochemical performances are also demonstrated in the full-cell configuration with hard carbon as well as antimony Sb/C anodes.

25 ENERGY STORAGE↗

Laboratory-Based Micro-X-ray Computed Tomography of Energy Materials at Idaho National Laboratory

Abstract The Idaho National Laboratory (INL) has implemented laboratory-based micro-X-ray computed tomography in a laboratory equipped for the examination of highly radioactive samples. This capability provides nondestructive three-dimensional volumetric information on samples to inform subsequent traditional destructive examinations as well as real-world inputs for high-fidelity scientific modeling. Samples can be imaged with spatial resolutions ranging from several hundred nm/voxel up to ~ 100 µm/voxel. The best usable spatial resolution achieved to date is 384 nm/voxel with this instrument, while the highest radiological dose rate of a sample imaged is ~ 60 R/h β/γ on contact. Advanced data analysis, including custom tomographic reconstruction and segmentation methods, have also been developed to support this capability. In addition to traditional digital X-ray radiography and tomography, this instrument is also able to visualize in situ tensile and compression testing as well as perform diffraction contrast tomography. This work describes the X-ray computed tomography post-irradiation examination capabilities at INL, as well as detailing a variety of applications this instrument has examined.

36 MATERIALS SCIENCE↗

Modeling residence-time distribution in horizontal screw hydrolysis reactors

The dilute-acid thermochemical hydrolysis step used in the production of liquid fuels from lignocellulosic biomass requires precise residence-time control to achieve high monomeric sugar yields. Difficulty has been encountered reproducing residence times and yields when small batch reaction conditions are scaled up to larger pilot-scale horizontal auger-tube type continuous reactors. A commonly used naive model estimated residence times of 6.2-16.7 min, but measured mean times were actually 1.4-2.2 the estimates. Here, this study investigated how reactor residence-time distribution (RTD) is affected by reactor characteristics and operational conditions, and developed a method to accurately predict the RTD based on key parameters. Screw speed, reactor physical dimensions, throughput rate, and process material density were identified as major factors affecting both the mean and standard deviation of RTDs. The general shape of RTDs was consistent with a constant value determined for skewness. The Peclet number quantified reactor plug-flow performance, which ranged between 20 and 357.

09 BIOMASS FUELS↗

Effect of particle size on thermodynamics and lithium ion transport in electrodes made of Ti 2 Nb 2 O 9 microparticles or nanoparticles

This study compares the charging mechanisms, thermodynamics, lithium ion transport, and operando isothermal calorimetry in lithium-ion battery electrodes made of Ti 2 Nb 2 O 9 microparticles or nanoparticles synthesized by solid-state or sol-gel methods, respectively. First, electrochemical testing showed that electrodes made of Ti 2 Nb 2 O 9 nanoparticles exhibited larger specific capacity, smaller polarization, and better capacity retention at large currents than those made of Ti 2 Nb 2 O 9 microparticles. Furthermore, potentiometric entropy measurements revealed that electrodes made of either Ti 2 Nb 2 O 9 microparticles or nanoparticles showed similar thermodynamics behavior governed by lithium intercalation in solid solution, as confirmed by in situ XRD measurements. However, electrodes made of Ti 2 Nb 2 O 9 nanoparticles featured smaller overpotential and faster lithium ion transport than those made of Ti 2 Nb 2 O 9 microparticles. In fact, operando isothermal calorimetry revealed smaller instantaneous and time-averaged irreversible heat generation rates at electrodes made of Ti 2 Nb 2 O 9 nanoparticles, highlighting their smaller resistive losses and larger electrical conductivity. Finally, the measured total heat generation over a charging/discharging cycle matched the measured net electrical energy loss. Overall, Ti 2 Nb 2 O 9 nanoparticles synthesized by the novel sol-gel method displayed excellent cycling performance and reduced heat generation as a fast-charging lithium-ion battery anode material. These features present major advantages for actual battery systems including larger energy and power densities, simpler thermal management, and enhanced safety.

25 ENERGY STORAGE↗

A predictive discrete-continuum multiscale model of plasticity with quantified uncertainty

Multiscale models of materials, consisting of upscaling discrete simulations to continuum models, are unique in their capability to simulate complex materials behavior. The fundamental limitation in multiscale models is the presence of uncertainty in the computational predictions delivered by them. In this work, a sequential multiscale model has been developed, incorporating discrete dislocation dynamics (DDD) simulations and a strain gradient plasticity (SGP) model to predict the size effect in plastic deformations of metallic micro-pillars. The DDD simulations include uniaxial compression of micro-pillars with different sizes and over a wide range of initial dislocation densities and spatial distributions of dislocations. An SGP model is employed at the continuum level that accounts for the size-dependency of flow stress and hardening rate. Sequences of uncertainty analyses have been performed to assess the predictive capability of the multiscale model. The variance-based global sensitivity analysis determines the effect of parameter uncertainty on the SGP model prediction. The multiscale model is then constructed by calibrating the continuum model using the data furnished by the DDD simulations. A Bayesian calibration method is implemented to quantify the uncertainty due to microstructural randomness in discrete dislocation simulations (density and spatial distribution of dislocations) on the macroscopic continuum model prediction (size effect in plastic deformation). Here, the outcomes of this study indicate that the discrete-continuum multiscale model can accurately simulate the plastic deformation of micro-pillars, despite the significant uncertainty in the DDD results. Additionally, depending on the macroscopic features represented by the DDD simulations, the SGP model can reliably predict the size effect in plasticity responses of the micropillars with below 10% of error.

36 MATERIALS SCIENCE↗

First 3D vector tracking of helium recoils for fast neutron measurements at Super$\mathrm{KEKB}$

Here we present results from the first deployment of novel, high definition, compact gas Time Projection Chambers (TPCs) with pixel chip readout as part of the BEAST II beam background measurement project at SuperKEKB. The TPCs provide detailed 3D imaging of ionization from neutron-induced nuclear recoils in a helium and carbon dioxide target gas mixture at standard temperature and pressure. We present the TPC performance and the neutron backgrounds observed during the initial stage of collider commissioning. We find excellent electron background rejection, leading to background-free nuclear recoil measurements above 50 keV ee , despite the extreme high-background environment. We measure an angular resolution better than 20° for recoil tracks longer than 1.7 mm, corresponding to an average ionization energy of approximately 100 keV ee . We also obtain the full 3D vector direction of helium recoils by utilizing charge profile measurements along the recoil axis, with a correct head/tail assignment efficiency of approximately 80%. With this performance, we present comparisons between measured and simulated event rates, recoil energy spectra, and directional distributions originating from beam–gas and Touschek beam losses at SuperKEKB. We utilize head/tail recognition to distinguish neutron components traveling with positive radial velocity in the Belle II coordinate system from those traveling in the opposite direction. Finally, we present a novel method of discriminating beam–gas interactions from Touschek beam losses that can eliminate the need for dedicated accelerator runs for background measurements. This method is still statistics-limited. However, future studies should be able to verify this method, which in turn could lead to neutron background analysis runs symbiotic with normal Belle II operation. The capabilities demonstrated here also suggest that high definition recoil imaging in gas TPCs is applicable to low energy, low-background experiments, such as directional dark matter searches.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Deep learning at the edge enables real-time streaming ptychographic imaging

Abstract Coherent imaging techniques provide an unparalleled multi-scale view of materials across scientific and technological fields, from structural materials to quantum devices, from integrated circuits to biological cells. Driven by the construction of brighter sources and high-rate detectors, coherent imaging methods like ptychography are poised to revolutionize nanoscale materials characterization. However, these advancements are accompanied by significant increase in data and compute needs, which precludes real-time imaging, feedback and decision-making capabilities with conventional approaches. Here, we demonstrate a workflow that leverages artificial intelligence at the edge and high-performance computing to enable real-time inversion on X-ray ptychography data streamed directly from a detector at up to 2 kHz. The proposed AI-enabled workflow eliminates the oversampling constraints, allowing low-dose imaging using orders of magnitude less data than required by traditional methods.

36 MATERIALS SCIENCE↗

Hydrogen-induced degradation dynamics in silicon heterojunction solar cells via machine learning

Abstract Among silicon-based solar cells, heterojunction cells hold the world efficiency record. However, their market acceptance is hindered by an initial 0.5% per year degradation of their open circuit voltage which doubles the overall cell degradation rate. Here, we study the performance degradation of crystalline-Si/amorphous-Si:H heterojunction stacks. First, we experimentally measure the interface defect density over a year, the primary driver of the degradation. Second, we develop SolDeg, a multiscale, hierarchical simulator to analyze this degradation by combining Machine Learning, Molecular Dynamics, Density Functional Theory, and Nudged Elastic Band methods with analytical modeling. We discover that the chemical potential for mobile hydrogen develops a gradient, forcing the hydrogen to drift from the interface, leaving behind recombination-active defects. We find quantitative correspondence between the calculated and experimentally determined defect generation dynamics. Finally, we propose a reversed Si-density gradient architecture for the amorphous-Si:H layer that promises to reduce the initial open circuit voltage degradation from 0.5% per year to 0.1% per year.

14 SOLAR ENERGY↗

Pyrene hydrogel for promoting direct bioelectrochemistry: ATP-independent electroenzymatic reduction of N 2

Enzymatic bioelectrocatalysis often requires an artificial redox mediator to observe significant electron transfer rates. The use of such mediators can add a substantial overpotential and obfuscate the protein's native kinetics, which limits the voltage of a biofuel cell and alters the analytical performance of biosensors. Herein, we describe a material for facilitating direct electrochemical communication with redox proteins based on a novel pyrene-modified linear poly(ethyleneimine). This method was applied for promoting direct bioelectrocatalytic reduction of O 2 by laccase and, by immobilizing the catalytic subunit of nitrogenase (MoFe protein), to demonstrate the ATP-independent direct electroenzymatic reduction of N 2 to NH 3 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Rosette-scan video-rate atomic force microscopy: Trajectory patterning and control design

We introduce an analysis and a systematic design methodology for a novel nonraster scan method based on a rosette pattern and demonstrate its application in video-rate atomic force microscopy. This pattern is traced when the lateral axes of a parallel kinematic scanner are commanded to follow a combination of two sinusoids with identical amplitudes and different frequencies. We create an internal-model-based controller to enhance the tracking performance of this pattern and implement the scheme on a microelectromechanical system scanner. The conclusions reveal high-precision tracking of the rosette pattern in order to acquire time-lapsed atomic force microscope images at the rate of 10 frames/s.

42 ENGINEERING↗