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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

SU-F-19A-09: Propagation of Organ at Risk Contours for High Dose Rate Brachytherapy Planning for Cervical Cancer: A Deformable Image Registration Comparison

Purpose: To compare the performance of two deformable image registration (DIR) algorithms for contour propagation and to evaluate the accuracy of DIR for use with high dose rate (HDR) brachytherapy planning for cervical cancer. Methods: Five patients undergoing HDR ring and tandem brachytherapy were included in this retrospective study. All patients underwent CT simulation and replanning prior to each fraction (3–5 fractions total). CT-to-CT DIR was performed using two commercially available software platforms: SmartAdapt, Varian Medical Systems (Demons) and Velocity AI, Velocity Medical Solutions (B-spline). Fraction 1 contours were deformed and propagated to each subsequent image set and compared to contours manually drawn by an expert clinician. Dice similarity coefficients (DSC), defined as, DSC(A,B)=2(AandB)/(A+B) were calculated to quantify spatial overlap between manual (A) and deformed (B) contours. Additionally, clinician-assigned visual scores were used to describe and compare the performance of each DIR method and ultimately evaluate which was more clinically acceptable. Scoring was based on a 1–5 scale—with 1 meaning, “clinically acceptable with no contour changes” and 5 meaning, “clinically unacceptable”. Results: Statistically significant differences were not observed between the two DIR algorithms. The average DSC for the bladder, rectum and rectosigmoid were 0.82±0.08, 0.67±0.13 and 0.48±0.18, respectively. The poorest contour agreement was observed for the rectosigmoid due to limited soft tissue contrast and drastic anatomical changes, i.e., organ shape/filling. Two clinicians gave nearly equivalent average scores of 2.75±0.91 for SmartAdapt and 2.75±0.94 for Velocity AI—indicating that for a majority of the cases, more than one of the three contours evaluated required major modifications. Conclusion: Limitations of both DIR algorithms resulted in inaccuracies in contour propagation in the pelvic region, thus hampering the clinical utility of this technology. Further work is required to optimize these algorithms and take advantage of the potential of DIR for HDR brachytherapy planning.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

A Convenient and Versatile Method To Control the Electrode Microstructure toward High-Energy Lithium-Ion Batteries

Control over porous electrode microstructure is critical for the continued improvement of electrochemical performance of lithium ion batteries. This paper describes a convenient and economical method for controlling electrode porosity, thereby enhancing material loading and stabilizing the cycling performance. Sacrificial NaCl is added to a Si-based electrode, which demonstrates an areal capacity of ~4 mAh/cm 2 at a C/10 rate (0.51 mA/cm 2 ) and an areal capacity of 3 mAh/cm 2 at a C/3 rate (1.7 mA/cm 2 ), one of the highest material loadings reported for a Si-based anode at such a high cycling rate. X-ray microtomography confirmed the improved porous architecture of the SiO electrode with NaCl. The method developed here is expected to be compatible with the state-of-the-art lithium ion battery industrial fabrication processes and therefore holds great promise as a practical technique for boosting the electrochemical performance of lithium ion batteries without changing material systems.

25 ENERGY STORAGE↗
DOE OSTI2017

A comparative study of different methods for calculating electronic transition rates

We present a comprehensive comparison of the following mixed quantum-classical methods for calculating electronic transition rates: (1) nonequilibrium Fermi’s golden rule, (2) mixed quantum-classical Liouville method, (3) mean-field (Ehrenfest) mixed quantum-classical method, and (4) fewest switches surface-hopping method (in diabatic and adiabatic representations). The comparison is performed on the Garg-Onuchic-Ambegaokar benchmark charge-transfer model, over a broad range of temperatures and electronic coupling strengths, with different nonequilibrium initial states, in the normal and inverted regimes. Under weak to moderate electronic coupling, the nonequilibrium Fermi’s golden rule rates are found to be in good agreement with the rates obtained via the mixed quantum-classical Liouville method that coincides with the fully quantum-mechanically exact results for the model system under study. Furthermore our results suggest that the nonequilibrium Fermi’s golden rule can serve as an inexpensive yet accurate alternative to Ehrenfest and the fewest switches surface-hopping methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

MATLAB/Simulink Framework for Modeling Complex Coolant Flow Configurations of Advanced Automotive Thermal Management Systems

The National Renewable Energy Laboratory's (NREL's) CoolSim MATLAB/Simulink modeling framework was extended by including a newly developed coolant loop solution method aimed at reducing the simulation effort for arbitrarily complex thermal management systems. The new approach does not require the user to identify specific coolant loops and their flow. The user only needs to connect the fluid network elements in a manner consistent with the desired schematic. Using the new solution method, a model of NREL's advanced combined coolant loop system for electric vehicles was created that reflected the test system architecture. This system was built using components provided by the MAHLE Group and included both air conditioning and heat pump modes. Validation with test bench data and verification with the previous solution method were performed for 10 operating points spanning a range of ambient temperatures between -2 degrees C and 43 degrees C. The largest root mean square difference between pressure, temperature, energy and mass flow rate data and simulation results was less than 7%.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2015

Analysis of calibration data for the uranium active neutron coincidence counting collar with attention to errors in the measured neutron coincidence rate

The declared linear density of 238 U and 235 U in fresh low enriched uranium light water reactor fuel assemblies can be verified for nuclear safeguards purposes using a neutron coincidence counter collar in passive and active mode, respectively. The active mode calibration of the Uranium Neutron Collar - Light water reactor fuel (UNCL) instrument is normally performed using a non-linear fitting technique. The fitting technique relates the measured neutron coincidence rate (the predictor) to the linear density of 235 U (the response) in order to estimate model parameters of the nonlinear Parte equation, which traditionally is used to model the calibration data. Alternatively, following a simple data transformation, the fitting can also be performed using standard linear fitting methods. This article compares performance of the nonlinear technique to the linear technique, using a range of possible error variance magnitudes in the measured neutron coincidence rate. We develop the required formalism and then apply the traditional (nonlinear) and alternative approaches (linear) to the same experimental and corresponding simulated representative datasets. Here, we find that, in this context, because of the magnitude of the errors in the predictor, it is preferable not to transform to a linear model, and it is preferable not to adjust for the errors in the predictor when inferring the model parameters.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Methods—Kintsugi Imaging of Battery Electrodes: Distinguishing Pores from the Carbon Binder Domain using Pt Deposition

The mesostructure of porous electrodes used in lithium-ion batteries strongly influences cell performance. Accurate imaging of the distribution of phases in these electrodes would allow this relationship to be better understood through simulation. However, imaging the nanoscale features in these components is challenging. While scanning electron microscopy is able to achieve the required resolution, it has well established difficulties imaging porous media. This is because the flat imaging planes prepared using focused ion beam milling will intersect with the pores, which makes the images hard to interpret as the inside walls of the pores are observed. It is common to infiltrate porous media with resin prior to imaging to help resolve this issue, but both the nanoscale porosity and the chemical similarity of the resins to the battery materials undermine the utility of this approach for most electrodes. In this study, a technique is demonstrated which uses in situ infiltration of platinum to fill the pores and thus enhance their contrast during imaging. Reminiscent of the Japanese art of repairing cracked ceramics with precious metals, this technique is referred to as the kintsugi method. The images resulting from applying this technique to a conventional porous cathode are presented and then segmented using a multi-channel convolutional method. We show that while some cracks in active material particles were empty, others appear to be filled (perhaps with the carbon binder phase), which will have implications for the rate performance of the cell. Energy dispersive X-ray spectroscopy was used to validate the distribution of phases resulting from image analysis, which also suggested a graded distribution of the binder relative to the carbon additive. The equipment required to use the kintsugi method is commonly available in major research facilities and so we hope that this method will be rapidly adopted to improve the imaging of electrode materials and porous media in general.

25 ENERGY STORAGE↗
DOE OSTI2016

SU-F-T-32: Evaluation of the Performance of a Multiple-Array-Diode Detector for Quality Assurance Tests in High-Dose-Rate Brachytherapy with Ir-192 Source

Purpose: To evaluate the performance of a two-dimensional (2D) array-diode- detector for geometric and dosimetric quality assurance (QA) tests of high-dose-rate (HDR) brachytherapy with an Ir-192-source. Methods: A phantom setup was designed that encapsulated a two-dimensional (2D) array-diode-detector (MapCheck2) and a catheter for the HDR brachytherapy Ir-192 source. This setup was used to perform both geometric and dosimetric quality assurance for the HDR-Ir192 source. The geometric tests included: (a) measurement of the position of the source and (b) spacing between different dwell positions. The dosimteric tests include: (a) linearity of output with time, (b) end effect and (c) relative dose verification. The 2D-dose distribution measured with MapCheck2 was used to perform the previous tests. The results of MapCheck2 were compared with the corresponding quality assurance testes performed with Gafchromic-film and well-ionization-chamber. Results: The position of the source and the spacing between different dwell-positions were reproducible within 1 mm accuracy by measuring the position of maximal dose using MapCheck2 in contrast to the film which showed a blurred image of the dwell positions due to limited film sensitivity to irradiation. The linearity of the dose with dwell times measured from MapCheck2 was superior to the linearity measured with ionization chamber due to higher signal-to-noise ratio of the diode readings. MapCheck2 provided more accurate measurement of the end effect with uncertainty < 1.5% in comparison with the ionization chamber uncertainty of 3%. Although MapCheck2 did not provide absolute calibration dosimeter for the activity of the source, it provided accurate tool for relative dose verification in HDR-brachytherapy. Conclusion: The 2D-array-diode-detector provides a practical, compact and accurate tool to perform quality assurance for HDR-brachytherapy with an Ir-192 source. The diodes in MapCheck2 have high radiation sensitivity and linearity that is superior to Gafchromic-films and ionization chamber used for geometric and dosimetric QA in HDR-brachytherapy, respectively.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Validation of a novel robot-assisted 3DUS system for real-time planning and guidance of breast interstitial HDR brachytherapy

Purpose: In current clinical practice, there is no integrated 3D ultrasound (3DUS) guidance system clinically available for breast brachytherapy. In this study, the authors present a novel robot-assisted 3DUS system for real-time planning and guidance of breast interstitial high dose rate (HDR) brachytherapy treatment. Methods: For this work, a new computer controlled robotic 3DUS system was built to perform a hybrid motion scan, which is a combination of a 6 cm linear translation with a 30° rotation at both ends. The new 3DUS scanner was designed to fit on a modified Kuske assembly, keeping the current template grid configuration but modifying the frame to allow the mounting of the 3DUS system at several positions. A finer grid was also tested. A user interface was developed to perform image reconstruction, semiautomatic segmentation of the surgical bed as well as catheter reconstruction and tracking. A 3D string phantom was used to validate the geometric accuracy of the reconstruction. The volumetric accuracy of the system was validated with phantoms using magnetic resonance imaging (MRI) and computed tomography (CT) images. In order to accurately determine whether 3DUS can effectively replace CT for treatment planning, the authors have compared the 3DUS catheter reconstruction to the one obtained from CT images. In addition, in agarose-based phantoms, an end-to-end procedure was performed by executing six independent complete procedures with both 14 and 16 catheters, and for both standard and finer Kuske grids. Finally, in phantoms, five end-to-end procedures were performed with the final CT planning for the validation of 3DUS preplanning. Results: The 3DUS acquisition time is approximately 10 s. A paired Student t-test showed that there was no statistical significant difference between known and measured values of string separations in each direction. Both MRI and CT volume measurements were not statistically different from 3DUS volume (Student t-test: p > 0.05) and they were significantly correlated to 3DUS measurement (Pearson test: MRI p < 0.05 and CT p < 0.001). The mean angular separation distance between catheter trajectories segmented from 3DUS and CT images was 0.42° ± 0.24°, while the maximum and mean trajectory separations were 0.51 ± 0.19 and 0.37 ± 0.17 mm, respectively. Overall, the new finer grid has performed significantly better in terms of dosimetric indices. The planning target volume dosimetric indices were not found statistically different between 3DUS and CT planning (Student t-test, p > 0.05). Both the skin and the pectoral muscle dosimetric indices were within ABS guidelines. Conclusions: A novel robot-assisted 3DUS system was designed and validated. To their knowledge, this is the first system capable of performing real-time guidance and planning of breast multicatheter HDR brachytherapy treatments. Future investigation will test the feasibility of using the system in the clinic and for permanent breast brachytherapy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

The SRG/eROSITA All-Sky Survey: Dark Energy Survey year 3 weak gravitational lensing by eRASS1 selected galaxy clusters

Context. Number counts of galaxy clusters across redshift are a powerful cosmological probe if a precise and accurate reconstruction of the underlying mass distribution is performed – a challenge called mass calibration. With the advent of wide and deep photometric surveys, weak gravitational lensing (WL) by clusters has become the method of choice for this measurement. Aims. We measured and validated the WL signature in the shape of galaxies observed in the first three years of the Dark Energy Survey (DES Y3) caused by galaxy clusters and groups selected in the first all-sky survey performed by SRG (Spectrum Roentgen Gamma)/eROSITA (eRASS1). These data were then used to determine the scaling between the X-ray photon count rate of the clusters and their halo mass and redshift. Methods. We empirically determined the degree of cluster member contamination in our background source sample. The individual cluster shear profiles were then analyzed with a Bayesian population model that self-consistently accounts for the lens sample selection and contamination and includes marginalization over a host of instrumental and astrophysical systematics. To quantify the accuracy of the mass extraction of that model, we performed mass measurements on mock cluster catalogs with realistic synthetic shear profiles. This allowed us to establish that hydrodynamical modeling uncertainties at low lens redshifts (z < 0.6) are the dominant systematic limitation. At high lens redshift, the uncertainties of the sources’ photometric redshift calibration dominate. Results. With regard to the X-ray count rate to halo mass relation, we determined its amplitude, its mass trend, the redshift evolution of the mass trend, the deviation from self-similar redshift evolution, and the intrinsic scatter around this relation. Conclusions. The mass calibration analysis performed here sets the stage for a joint analysis with the number counts of eRASS1 clusters to constrain a host of cosmological parameters. We demonstrate that WL mass calibration of galaxy clusters can be performed successfully with source galaxies whose calibration was performed primarily for cosmic shear experiments, opening the way for the cluster cosmological exploitation of future optical and NIR surveys like Euclid and LSST.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

The dissolution behavior of borosilicate glasses in far-from equilibrium conditions

In far-from-equilibrium conditions, the dissolution of borosilicate glasses used to immobilize nuclear waste is known to be a function of both temperature and pH. The aim of this paper is to study effects of these variables on three model waste glasses (SON68, ISG, AFCI). To do this, experiments were conducted at temperatures of 23, 40, 70, and 90 °C and pH(RT) values of 9, 10, 11, and 12 with the single-pass flow-through (SPFT) test method. The results from these tests were then used to parameterize a kinetic rate model based on transition state theory. Both the absolute dissolution rates and the rate model parameters are compared with previous results. Discrepancies in the absolute dissolution rates as compared to those obtained using other test methods are discussed. Rate model parameters for the three glasses studied here are nearly equivalent within error and in relative agreement with previous studies. The results were analyzed with a linear multivariate regression (LMR) and a nonlinear multivariate regression performed with the use of the Glass Corrosion Modeling Tool (GCMT), which is capable of providing a robust uncertainty analysis. This robust analysis highlights the high degree of correlation of various parameters in the kinetic rate model. As more data are obtained on borosilicate glasses with varying compositions, the effect of glass composition on the rate parameter values could possibly be obtained. This would allow for the possibility of predicting the forward dissolution rate of glass based solely on composition

Neeway, James J.↗
DOE OSTI2024

Protein–Protein Interaction Networks Derived from Classical and Machine Learning-Based Natural Language Processing Tools

The study of protein-protein interactions (PPIs) provides insight into various biological mechanisms, including the binding of antibodies to antigens, enzymes to inhibitors or promoters, and receptors to ligands. Recent studies of PPIs have led to significant biological breakthroughs. For example, the study of PPIs involved in the human:SARS-CoV-2 viral infection mechanism aided in the development of the SARS-CoV-2 vaccines. Though several databases exist for the manual curation of PPI networks, text mining methods have been routinely demonstrated as useful alternatives for newly studied or understudied species where databases are incomplete. Here, the relationship extraction (RE) performance of several open-source classical text processing, machine learning (ML)-based natural language processing (NLP), and large language model (LLM)-based NLP tools were compared. Overall, our results indicated that networks derived from classical methods tend to have high true positive rates at the expense of having overconnected-networks, ML-based NLP methods have lower true positive rates but networks with the closest structures to the target network, and LLM-based NLP methods tend to exist in-between the two other approaches, with variable performances. Finally, the selection of a specific NLP approach should be tied to the needs of a study and text availability, as models varied in performance due to the amount of text provided.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Evaluation of KDP Estimation Algorithm Performance in Rain Using a Known-Truth Framework

Accurate estimation of specific differential phase ( K DP ) is necessary for rain rate estimation, attenuation correction, and hydrometeor classification algorithms. There are numerous published methods to process polarimetric radar observations of propagation differential phase shift (Φ DP ) and estimate K DP , but the corresponding K DP estimate uncertainty is unquantified. This study provides guidance on how commonly used K DP estimation algorithms perform in various environments. Here, we create numerous synthetic (“true”) K DP profiles, integrate over them to obtain “smoothed” Φ DP , and then add noise typical of S-band operational weather radar measurements. Each algorithm is applied to our noisy Φ DP profiles and compared to the true K DP profile such that the errors and uncertainty are quantified. The synthetic K DP profiles are Gaussian in shape, which allows systematic variations in their magnitude and width to determine how each algorithm performs in smooth, slowly changing K DP profiles, as well as steep profiles. Results demonstrate that algorithm performance is dependent on the Φ DP field received. These results are further supported by an error analysis of each algorithm for two more complicated synthetic K DP profiles. Some K DP algorithms allow users to change various tuning parameters; a subset of these tuning parameters is tested to provide guidance on how changing these parameters impacts algorithm performance. We then provide evidence that our known-truth framework provides insight into algorithm performance in observed data through two case studies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Low-Overhead In Situ Visualization Using Halo Replay

In situ visualization and analysis is of increasing importance as the compute and I/O gap further widens with the advance to exascale capable computing. Yet, in situ methods impose resource constraints leading to the difficult task of balancing simulation code performance and the quality of analysis. Applications with tightly-coupled in situ visualization often achieve performance through spatial and temporal downsampling, a tradeoff which risks not capturing transient phenomena at sufficient fidelity. Determining a priori visualization parameters such as sampling rate is difficult without time and resource intensive experimentation. We present a method for reducing resource contention between in situ visualization and stencil codes on heterogeneous systems. This method permits full resolution replay through recording halos and the communication-free reconstruction of interior values uncoupled from the main simulation. We apply this method in the computational fluid dynamics (CFD) code HARVEY [1] on the Summit supercomputer. We demonstrate minimal-overhead, in situ visualization relative to simulation alone, and compare the Halo Replay performance to tightly-coupled in situ approaches.

Ames, Jeff↗
DOE OSTI2015

SU-E-T-607: Performance Quantification of the Nine Detectors Used for Dosimetry Measurements in Advanced Radiation Therapy Treatments

Purpose: The purpose of this study was to quantify performance of the nine detectors used for dosimetry measurements in advanced radiation therapy treatments. Methods: The 6 MV beam was utilized for measurements of the field sizes with the lack of lateral charge particle equilibrium. For dose fidelity aspect, energy dependence was studied by measuring PDD and profiles at different depths. The volume effect and its influence on the measured dose profiles have been observed by measuring detector’s response function. Output factor measurements with respect to change in energy spectrum have been performed and collected data has been analyzed. The linearity of the measurements with the dose delivered has been evaluated and relevant comparisons were done. Results: The measured values of the output factors with respect to change in energy spectrum indicated presence of the energy dependence. The detectors with active volume size ≤ 0.3 mm3 maximum deviation from the mean is 5.6% for the field size 0.5 x 0.5 cm2 while detectors with active volume size > 0.3 mm3 have maximum deviation from the mean 7.1%. Linearity with dose at highest dose rate examined for diode detectors showed maximum deviation of 4% while ion chambers showed maximum deviation of 2.2%. Dose profiles showed energy dependence at shallow depths (surface to dmax) influenced by low energy particles with 12 % maximum deviation from the mean for 5 mm2 field size. In relation to Monte Carlo calculation, the detector’s response function σ values were between (0.42±0.25) mm and (1.2±0.25) mm. Conclusion: All the detectors are appropriate for the dosimetry measurements in advanced radiation therapy treatments. The choice of the detectors has to be determined by the application and the scope of the measurements in respect to energy dependence and ability to accurately resolve dose profiles as well as to it’s intrinsic characteristics.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2014

CALiPER Retail Lamps Study RRL3.2 Lumen and Chromaticity Maintenance of LED A lamps Operated in Steady-State Conditions

The lumen depreciation and color shift of 17 different A lamps (15 LED, 1 CFL, 1 halogen) was monitored in the automated long-term test apparatus (ALTA) for more than 7,500 hours. Ten samples of each lamp model were tested, with measurements recorded on a weekly basis. The lamps were operated continuously at an ambient temperature of 45°C (-1°C). Importantly, the steady-state test conditions were not optimized for inducing catastrophic failure for any of the lamp technologies—to which thermal cycling is a strong contributor— and are not typical of normal use patterns—which usually include off periods where the lamp cools down. Further, the test conditions differ from those used in standardized long-term test methods (i.e., IES LM-80, IES LM-84), so the results should not be directly compared. On the other hand, the test conditions are similar to those used by ENERGY STAR (when elevated temperature testing is called for). Likewise, the conditions and assumptions used by manufacturers to generated lifetime claims may vary; the CALiPER long-term data is informative, but cannot necessarily be used to discredit manufacturer claims. The test method used for this investigation should be interpreted as one more focused on the long-term effects of elevated temperature operation, at an ambient temperature that is not uncommon in luminaires. On average, the lumen maintenance of the LED lamps monitored in the ALTA was better than benchmark lamps, but there was considerable variation from lamp model to lamp model. While three lamp models had average lumen maintenance above 99% at the end of the study period, two products had average lumen maintenance below 65%, constituting a parametric failure. These two products, along with a third, also exhibited substantial color shift, another form of parametric failure. While none of the LED lamps exhibited catastrophic failure—and all of the benchmarks did—the early degradation of performance is concerning, especially with a new technology trying to build a reputation with consumers. Beyond the observed parametric failures nearly half of the products failed to meet early-life thresholds for lumen maintenance, which were borrowed from ENERGY STAR specifications. That is, the lumen maintenance was sufficiently low at 6,000 hours that seven of the products are unlikely to have lumen maintenance above 70% at their rated lifetime (which was usually 25,000 hours). Given the methods used for this investigation—most notably continuous operation—the results should not be interpreted as indicative of a lamp’s performance in a typical environment. Likewise, these results are not directly relatable to manufacturer lifetime claims. This report is best used to understand the variation in LED product performance, compare the robustness of LED lamps and benchmark conventional lamps, and understand the characteristics of lumen and chromaticity change. A key takeaway is that the long-term performance of LED lamps can vary greatly from model to model (i.e., the technology is not homogenous), although the lamp-to-lamp consistency within a given model is relatively good. Further, operation of LED lamps in an enclosed luminaire (or otherwise in high ambient temperatures), can induce parametric failure of LEDs much earlier than their rated lifetime; manufacturer warnings about such conditions should be followed if performance degradation is unacceptable.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2017

Hydrothermal synthesis of hollow SnO{sub 2} spheres with excellent electrochemical performance for anodes in lithium ion batteries

Highlights: • Hollow SnO{sub 2} spheres were synthesized by NaF via employing hydrothermal method. • The microstructure of hollow spheres can be judiciously controlled by adjusting the amount of NaF. • Their high capacity reversibility and long-term cycling stability were demonstrated. • Their excellent rate performance was also exhibited. - Abstract: Hollow SnO{sub 2} spheres with oriented cone-like SnO{sub 2} nanoparticle shells were synthesized by a one-step hydrothermal process using NaF as the morphology controlling agent. The resulting hollow SnO{sub 2} sphere electrode exhibits high reversible capacity (initial charge and discharge capacities of 1342.9 and 1947.6 mAh/g at 0.1 C and 1235.4 and 1741.3 mAh/g at 1 C) and good cycling stability (discharge capacities maintained 758.1 and 449.6 mAh/g after 100 cycles at 0.1 C and 1 C, respectively). Good rate performance was also obtained (1234.5 mAh/g at 0.1 C, 884.2 mAh/g at 0.2 C, 692.4 mAh/g at 0.5 C, 497.6 mAh/g at 1 C, 315.8 mAh/g at 2 C and 80.6 mAh/g at 5 C, and more importantly, when the current density returns to 0.1 C, a capacity of 869.6 mAh/g can be recovered. The observed electrochemical performance can attributed to the hollow structure, the use of NaF for morphology control and the unique oriented cone-like shell of the particles.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Formation of 2D nanoparticles with block structure in simultaneous electric explosion of conductors

A molecular dynamics simulation of nanoparticle formation in simultaneous electric explosion of conductors is performed. Interatomic interaction is described using potentials calculated in the framework of the embedded atom method. High-rate heating results in failure of the conductors with the formation of nanoparticles. The influence of the heating rate, temperature distribution over the specimen cross-section and the distance between simultaneously exploded conductors on the structure of formed nanoparticles is studied. The calculation results show that the electric explosion of conductors allows the formation of nanoparticles with block structure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗