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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Heterolytic Cleavage of H2 by Bifunctional Manganese(I) Complexes: Impact of Ligand Dynamics, Electrophilicity, and Base Positioning

We report the synthesis, characterization, and reactivity with H2 of a series of MnI complexes of the type [(P-P)Mn(L2)CO]+ (L2 = dppm, bppm, or (CO)2; P-P = PPhNMePPh or PPh2 NBn2 ) that bear pendant amine ligands designed to function as proton relays. The pendant amine was found to function as a hemilabile ligand; its binding strength is strongly affected by the ancillary ligand environment around Mn. Tuning the electrophilicity of the Mn center leads to systems capable of reversible heterolytic cleavage of the H-H bond. The strength of pendant amine binding can be balanced to protect the Mn center while still leading to facile reactivity with H2. Neutral amine-bearing MnIH species were found to react with one-electron oxidants and, after proton and electron transfer reactions, regenerate MnI cationic species. The reactivity presented herein indicate that the Mn complexes we have developed are a promising platform for Mn-based H2 oxidation electrocatalyst development. The research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for DOE.

electrochemistry↗
DOE OSTI2021

Propagation of positive discharges in an air bubble having an embedded water droplet

Low temperature plasmas generated inside gas bubbles immersed in water is an effective method of rapidly transferring plasma generated reactive species to the water for applications in biomedicine, agriculture and environment. Reactive species are generally produced in the gas phase plasma and then solvate into the liquid. The large surface-to-volume ratio (SVR) of the bubble accelerates this process. In generating bubbles in water, aerosols and droplets are also contained within the bubble. These droplets also have a large SVR and so can be rapidly plasma activated. However, the presence of the droplets can also impact the propagation of the plasma in the bubble. In this paper, results are discussed from computational and experimental investigations of the formation and evolution of discharges in an air bubble immersed in water with an embedded water droplet. The computations were performed with a two-dimensional plasma hydrodynamics model. Experiments were performed with a quasi-2D bubble apparatus. In bubbles having a droplet, a plasma filament typically bridges from the powered electrode to the droplet, and then from the droplet to the bubble surface. A surface-hugging streamer also occurs on the inner bubble surface and on the surface of the droplet. Both surface streamers result in part from surface charge accumulation and can dominate the formation of reactive species that transport into the droplet. Increasing droplet conductivity suppresses propagation of the surface discharge and leads to a lower density of aqueous reactive species. Increasing conductivity of the surrounding water does not change the overall structure of the discharge but does slightly elevate the discharge intensity. Finally, the size and shape of the embedded droplet can significantly affect the formation and propagation of the streamer.

2D fluid modelling↗
DOE OSTI2016

Fiducial marker application method for position alignment of in situ multimodal X-ray experiments and reconstructions

An evolving suite of X-ray characterization methods are presently available to the materials community, providing a great opportunity to gain new insight into material behavior and provide critical validation data for materials models. Two critical and related issues are sample repositioning during an in situ experiment and registration of multiple data sets after the experiment. To address these issues, a method is described which utilizes a focused ion-beam scanning electron microscope equipped with a micromanipulator to apply gold fiducial markers to samples for X-ray measurements. The method is demonstrated with a synchrotron X-ray experiment involving in situ loading of a titanium alloy tensile specimen.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Special Nuclear Material Characterization Using Digital 3-D Position Sensitive CdZnTe Detectors and High Purity Germanium Spectrometers

Special nuclear material (SNM) monitoring often requires high resolution gamma-ray spectroscopy for material characterization. Portable systems and rapid deployment are also highly valued for some applications. Deployable gamma-ray imaging spectrometers using pixelated CdZnTe semiconductor detectors have become commercially available within the past three years to meet these requirements. CdZnTe systems have demonstrated room-temperature energy resolutions below 0.5% FWHM at 662 keV using single pixel events and below 0.7% FWHM at 662 keV using all events. The systems are able to go from storage to measurement in less than two minutes. Special nuclear materials were measured at the Y-12 National Security Complex and at the Device Assembly Facility at the Nevada National Security Site. The use of a CdZnTe system to measure uranium enrichment was demonstrated and uranium spectral features were compared to a commercially available high purity germanium (HPGe) spectrometer. The use of passive gamma ray spectroscopy techniques to estimate plutonium grade using CdZnTe detectors was demonstrated for the first time.

CdZnTe detectors, gamma-ray imaging, gamma-ray spe↗
DOE OSTI2016

An online x-ray based position validation system for prostate hypofractionated radiotherapy

Purpose: Accurate positioning of the target volume during treatment is paramount for stereotactic body radiation therapy (SBRT). In this work, the authors present the development of an in-house software tool to verify target position with an Elekta-Synergy linear accelerator using kV planar images acquired during treatment delivery. Methods: In-house software, SeedTracker, was developed in MATLAB to perform the following three functions: 1. predict intended seed positions in a planar view perpendicular to any gantry angle, simulating a portal imaging device, from the 3D seed co-ordinates derived from the treatment planning system; 2. autosegment seed positions in kV planar images; and 3. report the position shift based on the seed positions in the projection images. The performance of SeedTracker was verified using a CIRS humanoid phantom (CIRS, VA, USA) implanted with three Civco gold seed markers (Civco, IA, USA) in the prostate. The true positive rate of autosegmentation (TPR{sub seg}) and the accuracy of the software in alerting the user when the isocenter position was outside the tolerance (TPR{sub trig}) were studied. Two-dimensional and 3D static position offsets introduced to the humanoid phantom and 3D dynamic offsets introduced to a gel phantom containing gold seeds were used for evaluation of the system. Results: SeedTracker showed a TPR{sub seg} of 100% in the humanoid phantom for projection images acquired at all angles except in the ranges of 80°–100° and 260°–280° where seeds are obscured by anatomy. This resulted in a TPR{sub trig} of 88% over the entire treatment range for considered 3D static offsets introduced to the phantom. For 2D static offsets where the position offsets were only introduced in the anterior–posterior and lateral directions, the TPR{sub trig} of SeedTracker was limited by both seed detectability and positional offset. SeedTracker showed a false positive trigger in the projection angle range between 130°–170° and 310°–350° (a maximum of 24% of treatment time) due to limited information that can be derived from monoscopic images. The system accurately determined the dynamic trajectory of the isocenter position in the superior and inferior direction for the studied dynamic offset scenarios based on the seed position in monoscopic images. Conclusions: The developed software has been shown to accurately autosegment the seed positions in kV planar images except for two 20° arcs where seeds are obscured by anatomical structures. The isocenter trajectories determined by the system, based on the monoscopic images, provide useful information for monitoring the prostate position. The developed system has potential application for monitoring prostate position during treatment delivery in linear accelerator based SBRT.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2015

SU-E-T-254: Development of a HDR-BT QA Tool for Verification of Source Position with Oncentra Applicator Modeling

Purpose: To develop a High Dose Rate Brachytherapy (HDR-BT) quality assurance (QA) tool for verification of source position with Oncentra applicator modeling, and to report the results of radiation source positions with this tool. Methods: We developed a HDR-BT QA phantom and automated analysis software for verification of source position with Oncentra applicator modeling for the Fletcher applicator used in the MicroSelectron HDR system. This tool is intended for end-to-end tests that mimic the clinical 3D image-guided brachytherapy (3D-IGBT) workflow. The phantom is a 30x30x3 cm cuboid phantom with radiopaque markers, which are inserted into the phantom to evaluate applicator tips and reference source positions; positions are laterally shifted 10 mm from the applicator axis. The markers are lead-based and scatter radiation to expose the films. Gafchromic RTQA2 films are placed on the applicators. The phantom includes spaces to embed the applicators. The source position is determined as the distance between the exposed source position and center position of two pairs of the first radiopaque markers. We generated a 3D-IGBT plan with applicator modeling. The first source position was 6 mm from the applicator tips, and the second source position was 10 mm from the first source position. Results: All source positions were consistent with the exposed positions within 1 mm for all Fletcher applicators using in-house software. Moreover, the distance between source positions was in good agreement with the reference distance. Applicator offset, determined as the distance from the applicator tips at the first source position in the treatment planning system, was accurate. Conclusion: Source position accuracy of applicator modeling used in 3D-IGBT was acceptable. This phantom and software will be useful as a HDR-BT QA tool for verification of source position with Oncentra applicator modeling.

60 APPLIED LIFE SCIENCES↗