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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Microwave-assisted synthesis of Co{sub 3}O{sub 4}–graphene sheet-on-sheet nanocomposites and electrochemical performances for lithium ion batteries

Highlights: • Co{sub 3}O{sub 4}–graphene nanocomposites are prepared by microwave irradiation method. • Co{sub 3}O{sub 4} nanosheets exhibit porous structure with the pore sizes of 3–6 nm. • The porous Co{sub 3}O{sub 4}–graphene nanocomposites show excellent electrochemical performance. • Synergistic effects of Co{sub 3}O{sub 4} and graphene improve the electrochemical performance. - Abstract: Porous Co{sub 3}O{sub 4} nanosheets anchored on graphene nanosheets were synthesized by microwave irradiation method. The obtained Co{sub 3}O{sub 4}–graphene sheet-on-sheet nanocomposite as an anode material for LIBs demonstrates a high initial discharge capacity of 1359.6 mAh g{sup −1} with a Columbic efficiency of 72.7% at a rate of 100 mA g{sup −1}. Moreover, a significantly enhanced reversible capacity of ∼1036.9 mAh g{sup −1} is retained after 50 cycles, and the capacity can reincrease to 1068 mAh g{sup −1} when the current density returns back to 100 mA g{sup −1} after cycled at various rates for 50 cycles. The improved electrochemical performance is attributed to the unique architectures of the porous Co{sub 3}O{sub 4} nanosheets and the incorporation of graphene nanosheets. Therefore, this nanocomposite is widely considered to be an attractive candidate as an anode material for next-generation LIBs.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Infections in patients using ventricular-assist devices: Comparison of the diagnostic performance of {sup 18}F-FDG PET/CT scan and leucocyte-labeled scintigraphy

Background: The usage of left-ventricular-assist device (LVAD) is increasing in patients presenting with advanced heart failure. However, device-related infections are a challenge to recognize and to treat, with an important morbidity and mortality rate. The role of nuclear medicine imaging remains not well established for LVAD infections. The present study compared the accuracy of positron emission tomography/computed tomography with {sup 18}F-fludeoxyglucose ({sup 18}F-FDG PET/CT) and radiolabeled leucocyte scintigraphy for the diagnosis of infections in patients supported with a continuous-flow LVAD. Methods: From a prospectively maintained database, we retrospectively analyzed the diagnostic performance of radiolabeled leucocyte scintigraphy and {sup 18}F-FDG PET/CT in 24 patients who had a LVAD with a suspected device-related infection. Both examinations were routinely performed in all patients. Infection was assessed by the International Society for Heart and Lung Transplantation criteria. Results: Twenty-four patients were included: 15 had a specific VAD infection (5 cardiac-LVAD and 10 driveline), 6 had a VAD-related infection, while 3 patients had a non-VAD-related infection. Sensitivity, specificity, positive predictive value, negative predictive value, and accuracy were 95.2%, 66.7%, 95.2%, 66.7%, and 91.6%, respectively, for {sup 18}F-FDG-PET; and 71.4%, 100%, 100%, 33.3%, and 75%, respectively, for leucocyte scintigraphy. {sup 18}F-FDG PET/CT showed significantly higher sensitivity (P = 0.01) than leucocyte scintigraphy. Conclusion: {sup 18}F-FDG PET/CT and radiolabeled leucocyte scintigraphy single-photon emission computed tomography carry high performance in the diagnostic of LVAD infections. {sup 18}F-FDG PET/CT shows significantly higher sensitivity and could be proposed as first-line nuclear medicine procedure. [French] French Abstract: Contexte: L’utilisation du dispositif d’assistance ventriculaire gauche (DAVG) est en utilisation croissante chez les patients avec insuffisance cardiaque avancée. Cependant, les infections liées au dispositif sont un défi à reconnaître et à traiter en raison d’ un taux de morbidité et de mortalité important. Le rôle de l’imagerie de médecine nucléaire n’est pas encore bien établi pour les infections secondaires au DAVG. La présente étude compare la précision de la tomographie par émission de positrons / tomodensitométrie au 18F-fluorodéoxyglucose (18F-FDG TEP/TDM) et la scintigraphie leucocytaire radio-marquée pour le diagnostic d’infections chez des patients porteurs par un DAVG à flux continu. Méthodes: A partir d’une base de données complétée de manière prospective nous avons analysé rétrospectivement les performances diagnostiques de la scintigraphie leucocytaire radio-marquée et de la TEP / TDM au 18F-FDG chez 24 patients ayant un DAVG avec une infection suspectée liée à l’appareillage. Les deux types d’examens scintigraphiques ont été systématiquement réalisé chez tous les patients. Le diagnostic d’infection fut établi selon les critères ISHLT. Résultats: Parmi les 24 patients inclus, 15 avaient une infection spécifique de l’appareillage AVG (5 au niveau de la pompe et/ou canule d’insertion myocardique) et 10 au niveau du driveline, 6 avaient une infection indirectement liée à l’appareillage AVG, tandis que 3 patients avaient une infection non liée au DAVG. La sensibilité, la spécificité, la valeur prédictive positive, la valeur prédictive négative et la précision étaient de 95,2%, 66,7%, 95,2%, 66,7% et 91,6%, respectivement, pour le 18F-FDG-PET et 71,4%, 100%, 100%, 33,3 %, et 75%, respectivement, pour la scintigraphie leucocytaire. La TEP / TDM au 18F-FDG a montré une sensitivité significativement plus élevée (p = 0,01) que la scintigraphie leucocytaire. Conclusion: 18F-FDG TEP/TDM et scintigraphie leucocytaire radio-marquée SPECT s’avèrent très efficaces pour le diagnostic des infections à DVAG. La TEP/TDM au 18F-FDG montre une sensibilité significativement plus élevée et pourrait être proposée en tant que la procédure de médecine nucléaire de premier choix. [Spanish] Spanish Abstract: Antecedentes: El uso de dispositivos de asistencia ventricular izquierda (DAVI) está incrementando en pacientes con insuficiencia cardiaca avanzada. Sin embargo, las infecciones relacionadas al dispositivo representan un reto diagnóstico y de tratamiento, con una importante tasa de morbilidad y mortalidad. El papel de los estudios de imagen de medicina nuclear en las infecciones de DAVI no se ha establecido claramente. El presente estudio comparó la precisión de la tomografía por emisión de positrones/tomografía computada con {sup 18}F-fluorodesoxiglucosa ({sup 18}F-FDG PET/CT) y la gammagrafía con leucocitos marcados para el diagnóstico de infecciones en pacientes utilizando un DAVI de flujo continuo. Métodos: Desde una base de datos obtenida de manera prospectiva, analizamos de manera retrospectiva el rendimiento diagnóstico de la gammagrafía de leucocitos marcados y del {sup 18}F-FDG PET/CT en 24 pacientes quienes tenían un DAVI con sospecha de infección relacionada al dispositivo. Ambos estudios fueron realizados rutinariamente en todos los pacientes. Se determinó la presencia de infección mediante los criterios de la ISHTL. Resultados: Se incluyeron veinticuatro pacientes, de los cuales 15 tuvieron una infección específica de DAV (5 con infecciones DAVI, y 10 con infección del driveline), 6 tuvieron una infección relacionada al DAV, y 3 pacientes tuvieron una infección no relacionada al DAV. La sensibilidad, especificidad, valor predictivo positivo, valor predictivo negativo y precisión diagnóstica fueron 95.2%, 66.7%, 95.2%, 66.7% y 91.6%, respectivamente para {sup 18}F-FDG PET/CT, y 71.4%, 100%, 100%, 33.3% y 75%, respectivamente para la gammagrafía de leucocitos marcados. El {sup 18}F-FDG PET/CT mostró una significativa mayor sensibilidad (p=0.01) que la gammagrafía con leucocitos marcados. Conclusión: El {sup 18}F-FDG PET/CT y la gammagrafía de leucocitos marcados tienen un alto desempeño en el diagnóstico de infecciones de DAVI. El {sup 18}F-FDG PET/CT muestra una significativa mayor sensibilidad y podría ser propuesto como el procedimiento de medicina nuclear de primera línea. [Chinese] Chinese Abstract: 背景: 左心室辅助装置 (LVAD) 越来越多的应用于重度心力衰竭患者。然而, 设备相关的感染有着重要的发病率和死亡率, 并且对其诊断和治疗均是一项挑战。对于 LVAD 相关感染, 核医学影像可扮演的角色一直没有完善。本研究针对装备有连续流式 LVAD 的感染病人,对比了 {sup 18}F-FDG PET/CT 造影术和放射性标记白细胞闪烁扫描法对感染诊断的准确性。 方法: 从一个前瞻性的数据库, 入选了24名疑似设备感染的 LVAD 病人, 并回顾性的分析了放射性标记白细胞闪烁扫描法和 {sup 18}F-FDG PET/CT 的诊断表现。所有病人都常规进行了上述两种检查。利用 ISHLT 标准对感染情况进行评估。 结果: 在入选的 24 名病人中, 15 名有明确的 VAD 感染 (5 名心脏的 LVAD 和 10 名动力传动系统装置), 6 名有 VAD 相关的感染,另外3名有 VAD 无关的感染。对于 {sup 18}F-FDG PET/CT 诊断方法,其敏感性,特异性,阳性预测值,阴性预测值和准确率分别为: 95.2%, 66.7%, 95.2%, 66.7%, 和 91.6%; 而对于白细胞闪烁扫描诊断方法, 其敏感性, 特异性, 阳性预测值,阴性预测值和准确率分别为: 71.4%, 100%, 100%, 33.3% 和 75%。相比于白细胞闪烁扫描, {sup 18}F-FDG PET/CT 明显展现出较高的敏感性 (p=0.01)。 结论: {sup 18}F-FDG PET/CT 和白细胞闪烁扫描 SPECT 对于 LVAD 感染的诊断具有很好的表现。{sup 18}F-FDG PET/CT 展现出较高的敏感性,可以作为核医学的首要检查。.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2013

Real-time catheter tracking for high-dose-rate prostate brachytherapy using an electromagnetic 3D-guidance device: A preliminary performance study

Purpose: In order to increase the accuracy and speed of catheter reconstruction in a high-dose-rate (HDR) prostate implant procedure, an automatic tracking system has been developed using an electromagnetic (EM) device (trakSTAR, Ascension Technology, VT). The performance of the system, including the accuracy and noise level with various tracking parameters and conditions, were investigated. Methods: A direct current (dc) EM transmitter (midrange model) and a sensor with diameter of 1.3 mm (Model 130) were used in the trakSTAR system for tracking catheter position during HDR prostate brachytherapy. Localization accuracy was assessed under both static and dynamic analyses conditions. For the static analysis, a calibration phantom was used to investigate error dependency on operating room (OR) table height (bottom vs midposition vs top), sensor position (distal tip of catheter vs connector end of catheter), direction [left-right (LR) vs anterior-posterior (AP) vs superior-inferior (SI)], sampling frequency (40 vs 80 vs 120 Hz), and interference from OR equipment (present vs absent). The mean and standard deviation of the localization offset in each direction and the corresponding error vectors were calculated. For dynamic analysis, the paths of five straight catheters were tracked to study the effects of directions, sampling frequency, and interference of EM field. Statistical analysis was conducted to compare the results in different configurations. Results: When interference was present in the static analysis, the error vectors were significantly higher at the top table position (3.3 {+-} 1.3 vs 1.8 {+-} 0.9 mm at bottom and 1.7 {+-} 1.0 mm at middle, p < 0.001), at catheter end position (3.1 {+-} 1.1 vs 1.4 {+-} 0.7 mm at the tip position, p < 0.001), and at 40 Hz sampling frequency (2.6 {+-} 1.1 vs 2.4 {+-} 1.5 mm at 80 Hz and 1.8 {+-} 1.1 at 160 Hz, p < 0.001). So did the mean offset errors in the LR direction (-1.7 {+-} 1.4 vs 0.4 {+-} 0.5 mm in AP and 0.8 {+-} 0.8 mm in SI directions, p < 0.001). The error vectors were significantly higher with surrounding interference (2.2 {+-} 1.3 mm) vs without interference (1.0 {+-} 0.7 mm, p < 0.001). An accuracy of 1.6 {+-} 0.2 mm can be reached when using optimum configuration (160 Hz at middle table position). When interference was present in the dynamic tracking, the mean tracking errors in LR direction (1.4 {+-} 0.5 mm) was significantly higher than that in AP direction (0.3 {+-} 0.2 mm, p < 0.001). So did the mean vector errors at 40 Hz (2.1 {+-} 0.2 mm vs 1.3 {+-} 0.2 mm at 80 Hz and 0.9 {+-} 0.2 mm at 160 Hz, p < 0.05). However, when interference was absent, they were comparable in the both directions and at all sampling frequencies. An accuracy of 0.9 {+-} 0.2 mm was obtained for the dynamic tracking when using optimum configuration. Conclusions: The performance of an EM tracking system depends highly on the system configuration and surrounding environment. The accuracy of EM tracking for catheter reconstruction in a prostate HDR brachytherapy procedure can be improved by reducing interference from surrounding equipment, decreasing distance from transmitter to tracking area, and choosing appropriated sampling frequency. A calibration scheme is needed to further reduce the tracking error when the interference is high.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2016

WE-AB-BRA-09: Registration of Preoperative MRI to Intraoperative Radiographs for Automatic Vertebral Target Localization

Purpose: Accurate localization of target vertebrae is essential to safe, effective spine surgery, but wrong-level surgery occurs with surprisingly high frequency. Recent research yielded the “LevelCheck” method for 3D-2D registration of preoperative CT to intraoperative radiographs, providing decision support for level localization. We report a new method (MR-LevelCheck) to perform 3D-2D registration based on preoperative MRI, presenting a solution for the increasingly common scenario in which MRI (not CT) is used for preoperative planning. Methods: Direct extension of LevelCheck is confounded by large mismatch in image intensity between MRI and radiographs. The proposed method overcomes such challenges with a simple vertebrae segmentation. Using seed points at centroids, vertebrae are segmented using continuous max-flow method and dilated by 1.8 mm to include surrounding cortical bone (inconspicuous in T2w-MRI). MRI projections are computed (analogous to DRR) using segmentation and registered to intraoperative radiographs. The method was tested in a retrospective IRB-approved study involving 11 patients undergoing cervical, thoracic, or lumbar spine surgery following preoperative MRI. Registration accuracy was evaluated in terms of projection-distance-error (PDE) between the true and estimated location of vertebrae in each radiograph. Results: The method successfully registered each preoperative MRI to intraoperative radiographs and maintained desirable properties of robustness against image content mismatch, and large capture range. Segmentation achieved Dice coefficient = 89.2 ± 2.3 and mean-absolute-distance (MAD) = 1.5 ± 0.3 mm. Registration demonstrated robust performance under realistic patient variations, with PDE = 4.0 ± 1.9 mm (median ± iqr) and converged with run-time = 23.3 ± 1.7 s. Conclusion: The MR-LevelCheck algorithm provides an important extension to a previously validated decision support tool in spine surgery by extending its utility to preoperative MRI. With initial studies demonstrating PDE <5 mm and 0% failure rate, the method is now in translation to larger scale prospective clinical studies. S. Vogt and G. Kleinszig are employees of Siemens Healthcare.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Versailles Project on Advanced Materials and Standards interlaboratory study on intensity calibration for x-ray photoelectron spectroscopy instruments using low-density polyethylene

We report the results of a Versailles Project on Advanced Materials and Standards interlaboratory study on the intensity scale calibration of x-ray photoelectron spectrometers using low-density polyethylene (LDPE) as an alternative material to gold, silver, and copper. An improved set of LDPE reference spectra, corrected for different instrument geometries using a quartz-monochromated Al Kα x-ray source, was developed using data provided by participants in this study. Using these new reference spectra, a transmission function was calculated for each dataset that participants provided. When compared to a similar calibration procedure using the NPL reference spectra for gold, the LDPE intensity calibration method achieves an absolute offset of ~3.0% and a systematic deviation of ±6.5% on average across all participants. For spectra recorded at high pass energies (≥90 eV), values of absolute offset and systematic deviation are ~5.8% and ±5.7%, respectively, whereas for spectra collected at lower pass energies (<90 eV), values of absolute offset and systematic deviation are ~4.9% and ±8.8%, respectively; low pass energy spectra perform worse than the global average, in terms of systematic deviations, due to diminished count rates and signal-to-noise ratio. Differences in absolute offset are attributed to the surface roughness of the LDPE induced by sample preparation. We further assess the usability of LDPE as a secondary reference material and comment on its performance in the presence of issues such as variable dark noise, x-ray warm up times, inaccuracy at low count rates, and underlying spectrometer problems. In response to participant feedback and the results of the study, we provide an updated LDPE intensity calibration protocol to address the issues highlighted in the interlaboratory study. Finally, we also comment on the lack of implementation of a consistent and traceable intensity calibration method across the community of x-ray photoelectron spectroscopy (XPS) users and, therefore, propose a route to achieving this with the assistance of instrument manufacturers, metrology laboratories, and experts leading to an international standard for XPS intensity scale calibration.

36 MATERIALS SCIENCE↗
DOE OSTI2021

On the computational solution of vector-density based continuum dislocation dynamics models: A comparison of two plastic distortion and stress update algorithms

Continuum dislocation dynamics models of mesoscale plasticity consist of dislocation transport-reaction equations coupled with crystal mechanics equations. The coupling between these two sets of equations is such that dislocation transport gives rise to the evolution of plastic distortion (strain), while the evolution of the latter fixes the stress from which the dislocation velocity field is found via a mobility law. Earlier solutions of these equations employed a staggered solution scheme for the two sets of equations in which the plastic distortion was updated via time integration of its rate, as found from Orowan's law. In this work, we show that such a direct time integration scheme can suffer from accumulation of numerical errors. We introduce an alternative scheme based on field dislocation mechanics that ensures consistency between the plastic distortion and the dislocation content in the crystal. The new scheme is based on calculating the compatible and incompatible parts of the plastic distortion separately, and the incompatible part is calculated from the current dislocation density field. Stress field and dislocation transport calculations were implemented within a finite element based discretization of the governing equations, with the crystal mechanics part solved by a conventional Galerkin method and the dislocation transport equations by the least squares method. A simple test was first performed to show the accuracy of the two schemes for updating the plastic distortion, which shows that the solution method based on field dislocation mechanics is more accurate. This method then was used to simulate an austenitic steel crystal under uniaxial loading and multiple slip conditions. By considering dislocation interactions caused by junctions, a hardening rate similar to discrete dislocation dynamics simulation results was obtained. Finally, the simulations show that dislocations exhibit some self-organized structures as the strain is increased.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Microkinetic Modeling: A Tool for Rational Catalyst Design

The design of heterogeneous catalysts relies on understanding the fundamental surface kinetics that controls catalyst performance, and microkinetic modeling is a tool that can help the researcher in streamlining the process of catalyst design. Microkinetic modeling is used to identify critical reaction intermediates and rate-determining elementary reactions, thereby providing vital information for designing an improved catalyst. In this review, we summarize general procedures for developing microkinetic models using reaction kinetics parameters obtained from experimental data, theoretical correlations, and quantum chemical calculations. We examine the methods required to ensure the thermodynamic consistency of the microkinetic model. We describe procedures required for parameter adjustments to account for the heterogeneity of the catalyst and the inherent errors in parameter estimation. We discuss the analysis of microkinetic models to determine the rate determining reactions using the degree of rate control and reversibility of each elementary reaction. We introduce incorporation of Brønsted–Evans–Polanyi relations and scaling relations in microkinetic models and the effects of these relations on catalytic performance and formation of volcano curves. We review the analysis of reaction schemes in terms of the maximum rate of elementary reactions, and we outline a procedure to identify kinetically significant transition states and adsorbed intermediates. Here, we explore the application of generalized rate expressions for the prediction of optimal binding energies of important surface intermediates and to estimate the extent of potential rate improvement. We also explore the application of microkinetic modeling in homogeneous catalysis, electro-catalysis, and transient reaction kinetics. We conclude by highlighting the challenges and opportunities in the application of microkinetic modeling for catalyst design.

42 ENGINEERING↗
DOE OSTI2019

Geodesic interpolation for reaction pathways

The development of high throughput reaction discovery methods such as the ab initio nanoreactor demands massive numbers of reaction rate calculations through the optimization of minimum energy reaction paths. These are often generated from interpolations between the reactant and product endpoint geometries. Unfortunately, straightforward interpolation in Cartesian coordinates often leads to poor approximations that lead to slow convergence. In this work, we reformulate the problem of interpolation between endpoint geometries as a search for the geodesic curve on a Riemannian manifold. We show that the perceived performance difference of interpolation methods in different coordinates is the result of an implicit metric change. Accounting for the metric explicitly allows us to obtain good results in Cartesian coordinates, bypassing the difficulties caused by redundant coordinates. Using only geometric information, we are able to generate paths from reactants to products which are remarkably close to the true minimum energy path. In conclusion, we show that these geodesic paths are excellent starting guesses for minimum energy path algorithms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

A Step-Down Test Procedure for Wavelet Shrinkage Using Bootstrapping

Wavelet thresholding (or shrinkage) attempts to remove the noises existing in the signals while preserving inherent pattern characteristics in the reconstruction of true signals. For data-denoising purpose, we present a new wavelet thresholding procedure which employs the step-down testing idea of identifying active contrasts in unreplicated fractional factorial experiments. The proposed method employs bootstrapping methods to a step-down test for thresholding wavelet coefficients. By introducing the concept of a false discovery error rate in testing wavelet coefficients, we shrink the wavelet coefficients with p -values higher than the error rate. The error rate controls the expected proportion of wrongly accepted coefficients among chosen wavelet coefficients. Bootstrap samples are used to approximate the p -value for computational efficiency. We also present some guidelines for selecting the values of hyper-parameters which affect the performance in the step-down thresholding procedure. Based on some common testing signals and an air-conditioner sounds example, the comparison of our proposed procedure with other thresholding methods in the literature is performed. The analytical results show that the proposed procedure has a potential in data-denoising and data-reduction in a variety of signal reconstruction applications.

42 ENGINEERING↗
DOE OSTI2020

Prediction of Climate-Specific Degradation Rate for Photovoltaic Encapsulant Discoloration

Encapsulant discoloration is a well-known field degradation mode of crystalline-silicon photovoltaic modules, particularly in the hot climate zones. The discoloration rate is influenced by several weathering factors, such as UV light, module temperature, and humidity, as well as the permeability of oxygen into the module. Here, a rate dependence model employing the modified Arrhenius equations to predict the degradation rate for encapsulant discoloration in different climates is presented. Two modeling approaches are introduced, which utilize the field and accelerated UV testing degradation data in conjunction with the field meteorological data to determine the acceleration factor for encapsulant browning. A novel method of accelerated UV stress testing at three simultaneous module temperatures in a single environmental chamber test run is implemented to estimate the activation energy for browning. The test was performed on three field-retrieved modules to capture the wear-out failure mechanism. The degradation in short-circuit current Isc rather than maximum power is used as a decisive parameter for the discoloration analysis. Furthermore, the developed model has been used to predict the Isc degradation rate for the Arizona field characterized by a hot and dry climate and is validated against the field-measured value. It has also been applied to other climate types, e.g., the cold and dry climate of New York.

14 SOLAR ENERGY↗
DOE OSTI2012

Radiation-Induced Alterations in Mouse Brain Development Characterized by Magnetic Resonance Imaging

Purpose: The purpose of this study was to identify regions of altered development in the mouse brain after cranial irradiation using longitudinal magnetic resonance imaging (MRI). Methods and Materials: Female C57Bl/6 mice received a whole-brain radiation dose of 7 Gy at an infant-equivalent age of 2.5 weeks. MRI was performed before irradiation and at 3 time points following irradiation. Deformation-based morphometry was used to quantify volume and growth rate changes following irradiation. Results: Widespread developmental deficits were observed in both white and gray matter regions following irradiation. Most of the affected brain regions suffered an initial volume deficit followed by growth at a normal rate, remaining smaller in irradiated brains compared with controls at all time points examined. The one exception was the olfactory bulb, which in addition to an early volume deficit, grew at a slower rate thereafter, resulting in a progressive volume deficit relative to controls. Immunohistochemical assessment revealed demyelination in white matter and loss of neural progenitor cells in the subgranular zone of the dentate gyrus and subventricular zone. Conclusions: MRI can detect regional differences in neuroanatomy and brain growth after whole-brain irradiation in the developing mouse. Developmental deficits in neuroanatomy persist, or even progress, and may serve as useful markers of late effects in mouse models. The high-throughput evaluation of brain development enabled by these methods may allow testing of strategies to mitigate late effects after pediatric cranial irradiation.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2015

Inverse Planned High-Dose-Rate Brachytherapy for Locoregionally Advanced Cervical Cancer: 4-Year Outcomes

Purpose: Evaluate the efficacy and toxicity of image guided brachytherapy using inverse planning simulated annealing (IPSA) high-dose-rate brachytherapy (HDRB) boost for locoregionally advanced cervical cancer. Methods and Materials: From December 2003 through September 2009, 111 patients with primary cervical cancer were treated definitively with IPSA-planned HDRB boost (28 Gy in 4 fractions) after external radiation at our institution. We performed a retrospective review of our experience using image guided brachytherapy. Of the patients, 70% had a tumor size >4 cm, 38% had regional nodal disease, and 15% had clinically evident distant metastasis, including nonregional nodal disease, at the time of diagnosis. Surgical staging involving pelvic lymph node dissection was performed in 15% of patients, and 93% received concurrent cisplatin-based chemotherapy. Toxicities are reported according to the Common Terminology Criteria for Adverse Events version 4.0 guidelines. Results: With a median follow-up time of 42 months (range, 3-84 months), no acute or late toxicities of grade 4 or higher were observed, and grade 3 toxicities (both acute and late) developed in 8 patients (1 constitutional, 1 hematologic, 2 genitourinary, 4 gastrointestinal). The 4-year Kaplan-Meier estimate of late grade 3 toxicity was 8%. Local recurrence developed in 5 patients (4 to 9 months after HDRB), regional recurrence in 3 (6, 16, and 72 months after HDRB), and locoregional recurrence in 1 (4 months after HDR boost). The 4-year estimates of local, locoregional, and distant control of disease were 94.0%, 91.9%, and 69.1%, respectively. The overall and disease-free survival rates at 4 years were 64.3% (95% confidence interval [CI] of 54%-73%) and 61.0% (95% CI, 51%-70%), respectively. Conclusions: Definitive radiation by use of inverse planned HDRB boost for locoregionally advanced cervical cancer is well tolerated and achieves excellent local control of disease. However, overall survival continues to be limited by the high rates of distant metastasis.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

Photoluminescent and Thermoluminescent Studies of Dy{sup 3+} and Eu{sup 3+} Doped Y{sub 2}O{sub 3} Phosphors

Eu{sup 3+} doped and Dy{sup 3+} codoped yttrium oxide (Y{sub 2}O{sub 3}) phosphors have been prepared using solid-state reaction technique (SSR). The prepared phosphors were characterized by X-ray diffractometer (XRD), energy dispersive X-ray (EDX) spectroscopy, scanning electron microscopy (SEM) and Fourier transforms infrared spectroscopy (FTIR) techniques. Photoluminescence (PL) and Thermoluminescence (TL) properties were studied in detail. PL emission spectra were recorded for prepared phosphors under excitation wavelength 254 nm, which show a high intense peak at 613 nm for Y{sub 2}O{sub 3}:Dy{sup 3+}, Eu{sup 3+} (1:1.5 mol %) phosphor. The correlated color temperature (CCT) and CIE analysis have been performed for the synthesized phosphors. TL glow curves were recorded for Eu{sup 3+}doped and Dy{sup 3+}codoped phosphors to study the heating rate effect and dose response. The kinetic parameters were calculated using peak shape method for UV and γ exposures through computerized glow curve deconvolution (CGCD) technique. The phosphors show second order kinetics and activation energies varying from 5.823 × 10{sup − 1} to 18.608 × 10{sup − 1} eV.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Image processing tools for petabyte-scale light sheet microscopy data

Light sheet microscopy is a powerful technique for high-speed three-dimensional imaging of subcellular dynamics and large biological specimens. However, it often generates datasets ranging from hundreds of gigabytes to petabytes in size for a single experiment. Conventional computational tools process such images far slower than the time to acquire them and often fail outright due to memory limitations. To address these challenges, we present PetaKit5D, a scalable software solution for efficient petabyte-scale light sheet image processing. This software incorporates a suite of commonly used processing tools that are optimized for memory and performance. Notable advancements include rapid image readers and writers, fast and memory-efficient geometric transformations, high-performance Richardson–Lucy deconvolution and scalable Zarr-based stitching. These features outperform state-of-the-art methods by over one order of magnitude, enabling the processing of petabyte-scale image data at the full teravoxel rates of modern imaging cameras. The software opens new avenues for biological discoveries through large-scale imaging experiments.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Hybrid CuO/SnO{sub 2} nanocomposites: Towards cost-effective and high performance binder free lithium ion batteries anode materials

Hybrid CuO/SnO{sub 2} nanocomposites are synthesized by a facile thermal annealing method on Cu foils. Compared to pristine CuO and SnO{sub 2} nanostructures, hybrid CuO/SnO{sub 2} nanocomposites exhibit the enhanced electrochemical performances as the anode material of lithium ion batteries (LIBs) with high specific capacity and excellent rate capability. The binder free CuO/SnO{sub 2} nanocomposites deliver a specific capacity of 718 mA h g{sup −1} at a current density of 500 mA g{sup −1} even after 200 cycles. The enhanced electrochemical performances are attributed to the synergistic effect between SnO{sub 2} nanoparticles and CuO nanoarchitectures. Such hybrid CuO/SnO{sub 2} nanocomposites could open up a new route for the development of next-generation high-performance and cost-effective binder free anode material of LIBs for mass production.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Experimental validation of wireless communication with chaos

The constraints of a wireless physical media, such as multi-path propagation and complex ambient noises, prevent information from being communicated at low bit error rate. Surprisingly, it has only recently been shown that, from a theoretical perspective, chaotic signals are optimal for communication. It maximises the receiver signal-to-noise performance, consequently minimizing the bit error rate. This work demonstrates numerically and experimentally that chaotic systems can in fact be used to create a reliable and efficient wireless communication system. Toward this goal, we propose an impulsive control method to generate chaotic wave signals that encode arbitrary binary information signals and an integration logic together with the match filter capable of decreasing the noise effect over a wireless channel. The experimental validation is conducted by inputting the signals generated by an electronic transmitting circuit to an electronic circuit that emulates a wireless channel, where the signals travel along three different paths. The output signal is decoded by an electronic receiver, after passing through a match filter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

High-performance strategies for the recent MRSF-TDDFT in GAMESS

Multiple ERI (Electron Repulsion Integral) tensor contractions (METC) with several matrices are ubiquitous in quantum chemistry. In response theories, the contraction operation, rather than ERI computations, can be the major bottleneck, as its computational demands are proportional to the multiplicatively combined contributions of the number of excited states and the kernel pre-factors. Here, this paper presents several high-performance strategies for METC. Optimal approaches involve either the data layout reformations of interim density and Fock matrices, the introduction of intermediate ERI quartet buffer, and loop-reordering optimization for a higher cache hit rate. The combined strategies remarkably improve the performance of the MRSF (mixed reference spin flip)-TDDFT (time-dependent density functional theory) by nearly 300%. The results of this study are not limited to the MRSF-TDDFT method and can be applied to other METC scenarios.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗