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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 793 records · Page 44

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NASA NTRS1999

Signal generation and mixing electronics for frequency-domain lifetime and spectral fluorometry

The present invention additionally comprises a method and apparatus for generating and mixing signals for frequency-domain lifetime and spectral fluorometry. The present invention comprises a plurality of signal generators that generate a plurality of signals where the signal generators modulate the amplitude and/or the frequency of the signals. The present invention uses one of these signals to drive an excitation signal that the present invention then directs and transmits at a target mixture, which absorbs the energy from the excitation signal. The property of fluorescence causes the target mixture to emit an emitted signal that the present invention detects with a signal detector. The present invention uses a plurality of mixers to produce a processor reference signal and a data signal. The present invention then uses a processor to compare the processor reference signal with the data signal by analyzing the differences in the phase and the differences in the amplitude between the two signals. The processor then extracts the fluorescence lifetime and fluorescence spectrum of the emitted signal from the phase and amplitude information using a chemometric analysis.

Cruce, Tommy C.↗

NASA NTRS2007

Signal generation and mixing electronics for frequency-domain lifetime and spectral fluorometry

Cruce, Tommy Clay↗

DOE OSTI2020

Fast GPU 3D diffeomorphic image registration

3D image registration is one of the most fundamental and computationally expensive operations in medical image analysis. Here, we present a mixed-precision, Gauss–Newton–Krylov solver for diffeomorphic registration of two images. Our work extends the publicly available CLAIRE library to GPU architectures. Despite the importance of image registration, only a few implementations of large deformation diffeomorphic registration packages support GPUs. Our contributions are new algorithms to significantly reduce the run time of the two main computational kernels in CLAIRE: calculation of derivatives and scattered-data interpolation. Additionally, we deploy (i) highly-optimized, mixed-precision GPU-kernels for the evaluation of scattered-data interpolation, (ii) replace Fast-Fourier-Transform (FFT)-based first-order derivatives with optimized 8th-order finite differences, and (iii) compare with state-of-the-art CPU and GPU implementations. As a highlight, we demonstrate that we can register clinical images in less than 6 s on a single NVIDIA Tesla V100. This amounts to over 20 speed-up over the current version of CLAIRE and over 30 speed-up over existing GPU implementations.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

SU-E-T-567: A Three-Field Mono-Isocentric Inverse Treatment Planning Method for the Patients with Larger Breasts

Purpose: The purpose of this study is to develop a three-field monoisocentric inverse breast treatment planning technique without the use of half-beam block. Methods: Conventional three-field breast treatment with supraclavicular half-beam blocked requires two isocenters when the breast is too large to be contained within half-beam. The inferior border of the supraclavicular field and superior borders of the breast fields are matched on patient's skin with the light field. This method causes a large dose variation in the matching region due to daily setup uncertainties and requires a longer treatment setup time. We developed a three-field mono-isocentric planning method for the treatment of larger breasts. The three fields share the same isocenter located in the breast. Beam matching is achieved by rotating collimator, couch and gantry. Furthermore, we employed a mixed open-IMRT inverse optimization method to improve dose uniformity and coverage. Results: Perfect geometric beam matching was achieved by rotating couch, collimator and gantry together. Treatment setup time was significantly reduced without light-field matching during treatment deliveries. Inverse mixed open-IMRT optimization method achieved better dose uniformity and PTV coverage while keeping sufficient air flash to compensate setup and breast shape changes in daily treatments. Conclusion: By eliminating light field matching, the three-field mono-isocentric treatment method can significantly reduce setup time and uncertainty for large breast patients. Plan quality is further improved by inverse IMRT planning.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2018

Raman Lidar Water Vapor Mixing Ratio and Temperature Value-Added Products

This report describes the methods used to estimate profiles of water vapor mixing ratio (WVMR) and temperature from the U.S. Department of Energy’s Atmospheric Radiation Measurement (ARM) user facility Raman lidars (RL). This includes a description of the equations and the calibration methods that are used, as well as the output datastreams and variable names. We begin with an overview of the ARM RL systems, with a focus on the detection channels used for the WVMR and temperature measurements.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Physics-Informed Machine Learning Models for Predicting the Progress of Reactive-Mixing

This paper presents a physics-informed machine learning (ML) framework to construct reduced-order models (ROMs) for reactive-transport quantities of interest (QoIs) based on high-fidelity numerical simu-lations. QoIs include species decay, product yield, and degree of mixing. The ROMs for QoIs are applied to quantify and understand how the chemical species evolve over time. First, high-resolution datasets for constructing ROMs are generated by solving anisotropic reaction-di?usion equations using a non-negative finite element formulation for di?erent input parameters. The reactive-mixing model input parameters are: time-scale associated with flipping of velocity, spatial-scale controlling small/large vortex structures of velocity, perturbation parameter of the vortex-based velocity, anisotropic dispersion strength/contrast, and molecular diffusion. Second, random forests, F-test, and mutual information criterion are used to evaluate the importance of model inputs/features with respect to QoIs. We observed that anisotropic dispersion strength/contrast is the most important feature and time-scale associated with flipping of velocity is the least important feature. Third, Support Vector Machines (SVM) and Support Vector Regression (SVR) are used to construct ROMs based on the model inputs. The constructed SVR-ROMs are then used to predict scaling of QoIs. We also present estimates and inequalities on the QoIs, which inform that the species decay, mix, and produce in an exponential fashion. These inequalities also inform that a radial basis function is the most suitable kernel for the SVM/SVR models for QoIs. It is observed that R2-score for SVR-ROMs on unseen data is greater than 0.9, implying that the SVR-ROMs are able to predict the reaction-diffusion system state reasonably well. Finally, in terms of the computational cost, the proposed SVM-ROMs are O(107) times faster than running a high-fidelity finite element simulation for evaluating QoIs. This makes the proposed ML-based ROMs attractive for reactive-transport sensing and real-time monitoring applications as they are significantly faster yet reasonably accurate.

Mudunuru, Maruti K.↗

DOE OSTI2021

The nth-plant scenario for blended feedstock conversion and preprocessing nationwide: biorefineries and depots

The sustainability of the biofuel industry depends on the development of a mature conversion technology on a national level that can take advantage of the economies of scale: the nth-plant. Defining the future location and supply logistics of conversion plants is imperative to ultimately transform the nation’s renewable biomass resources into cost-competitive, high-performance feedstock for production of biofuels and bioproducts. Since the US has put restrictions on production levels of conventional biofuels from edible resources, the nation needs to plan for the widespread accessibility and development of the cellulosic biofuel scenario. Conventional feedstock supply systems will be unable to handle cellulosic biomass nationwide, making it essential to expand the industry with an advanced feedstock supply system incorporating a distributed network of preprocessing depots and conversion plants, or biorefineries. Current studies are mostly limited to designing supply systems for specific regions of the country. We developed a national database with potential locations for depots and biorefineries to meet the nation’s target demand of cellulosic biofuel. Blended feedstock with switchgrass and corn stover (harvested by either a two- or three-pass method) are considered in a Mixed Integer Linear Programming model to deliver on-spec biomass that considers both, a desired quantity and quality at the biorefinery. A total delivered feedstock cost that is less than $79.07/dt (2016$) is evaluated for years 2022, 2030, and 2040. In 2022, 124 depots and 59 biorefineries could be supplied with 42.8 million dt of corn stover and switchgrass. In 2030 and 2040, the total accessible biomass could increase to 215% and 393% respectively when compared to 2022. However, an $8/dry tons reduction in targeted delivery cost could reduce total accessible biomass by 67%. Kansas, Nebraska, South Dakota and Texas were identified as potential states with a strong biofuel economy given that they had six or more biorefineries located in all scenarios. In some scenarios, Colorado, Alabama, Georgia, Minnesota, Mississippi and South Carolina would greatly benefit from a depot network as these could only deliver to a biorefinery in a nearby state. To elaborate the impact of a nationwide consideration, the findings were compared with existing literature for different US regions. We also present results for biorefinery capacities that are double, triple, and quadruple in size.

09 BIOMASS FUELS↗

DOE OSTI2019

Mixed structures of optical breather and rogue wave for a variable coefficient inhomogeneous fiber system

Breathers and rogue waves are two special types of soliton and play significant role in optical fibers. In this work, the mixed breather and rogue wave solution is constructed for a variable coefficient inhomogeneous fiber system via the Darboux transformation method. The impacts on the mixed wave of the first- and second-order group velocity dispersions (GVD), are discussed, respectively. The spectral eigenvalue parameter control is also studied. The pulse wave width, amplitude and wave density can be controlled by the variable GVD functions and spectral eigenvalue parameter. Especially, two types of rogue wave solutions can be derived from the mixed solution.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2018

Neutron scattering measurement of water content and chemical composition of alkali-glass powder reacted gel

Highlights: • Water absorption ability of alkali-glass powder reacted gel was largely reduced comparing other reported alkali-silica gels. • Both SAXS and SANS results showed similar internal structures of samples prepared with different H2O:D2O mixing ratios. • Neutron scattering method was developed to non-destructively determine gel water content and mass density of reacted gels. • Neutron scattering methods (based on scattering length density) on gel water content was validated with TGA measurement. - Abstract: Recent studies demonstrated that the added glass powder with high-alumina content could significantly reduce Alkali-Silica Reaction (ASR) damage in cement concrete. This paper aims to investigate the gel water content, chemical composition and expansion behavior of the alkali-glass powder reacted gel by using neutron scattering and other characterization techniques. Three types of samples were prepared with glass powder, sodium oxide and deuteroxide/hydrogen water with different molar ratios. The swelling potential of this alkali-glass powder reacted gel was much lower than that of the reported alkali-silica reacted gel. The gel water content and chemical compositions were characterized with small-angle neutron scattering (SANS) technique, supported by small-angle X-ray scattering (SAXS), prompt-gamma ray neutron activation analysis (PGAA) measurement. The SAXS test results showed the close scattering intensities, and thus similar internal microstructures among these samples. The elemental molar ratios of gels were obtained from the PGAA test results. Then the gel water molar ratio and mass density were determined by neutron scattering contrast calculation. The determined gel water content from neutron scattering analysis was validated with zero contrast analysis and TGA experimental measurement. Overall, this paper demonstrated the feasibility of using SANS technique to determine the water content of alkali-glass powder reacted gel.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Nuclear-Electronic Orbital Ehrenfest Dynamics

The recently developed real-time nuclear-electronic orbital (RT-NEO) approach provides an elegant framework for treating electrons and selected nuclei, typically pro- tons, quantum mechanically in nonequilibrium dynamical processes. However, the RT-NEO approach neglects the motion of the other nuclei, preventing a complete de- scription of the coupled nuclear-electronic dynamics and spectroscopy. In this work, we describe the dynamical interaction between the other nuclei and the electron-proton subsystem with the mixed quantum-classical Ehrenfest dynamics method. The NEO- Ehrenfest approach propagates the electrons and quantum protons in a time-dependent variational framework, while the remaining nuclei move classically on the correspond- ing average electron-proton vibronic surface. This approach includes the non-Born- Oppenheimer eects between the electrons and quantum protons with RT-NEO and between the classical nuclei and the electron-proton subsystem with Ehrenfest dynam- ics. Spectral features for vibrational modes involving both quantum and classical nuclei are resolved from the time-dependent dipole moments. Moreover, nuclear quantum ef- fects are included directly in nonadiabatic dynamics simulations. The excited state intramolecular proton transfer in the o-hydroxybenzaldehyde molecule is shown to be faster and to exhibit a larger kinetic isotope eect with NEO-Ehrenfest compared to classical Ehrenfest dynamics. This work shows that the NEO-Ehrenfest method is a powerful tool to study dynamical processes with coupled electronic and nuclear degrees of freedom.

Zhao, Luning↗

DOE OSTI2012

Preparation of uniform nanoparticles of ultra-high purity metal oxides, mixed metal oxides, metals, and metal alloys

In preferred embodiments, metal nanoparticles, mixed-metal (alloy) nanoparticles, metal oxide nanoparticles and mixed-metal oxide nanoparticles are provided. According to embodiments, the nanoparticles may possess narrow size distributions and high purities. In certain preferred embodiments, methods of preparing metal nanoparticles, mixed-metal nanoparticles, metal oxide nanoparticles and mixed-metal nanoparticles are provided. These methods may provide tight control of particle size, size distribution, and oxidation state. Other preferred embodiments relate to a precursor material that may be used to form nanoparticles. In addition, products prepared from such nanoparticles are disclosed.

36 MATERIALS SCIENCE↗

NASA NTRS1988

An approach to probabilistic finite element analysis using a mixed-iterative formulation

An efficient algorithm for computing the response sensitivity of finite element problems based on a mixed-iterative formulation is proposed. This method does not involve explicit differentiation of the tangent stiffness array and can be used with formulations for which a consistent tangent stiffness is not readily available. The method has been successfully applied to probabilistic finite element analysis of problems using the proposed mixed formulation, and this exercise has provided valuable insights regarding the extension of the method to a more general class of problems to include material and geometric nonlinearities.

Dias, J. B.↗

NASA NTRS1971

Mixing of supersonic jets including the effects of supersonic jets including the effects of transverse pressure gradient using difference methods

The usual boundary-layer equations describing the steady-state mixing of parallel jets are supplemented by the momentum equation in the direction normal to the flow. This allows detailed computation of the flow field in the mixing region and simultaneous computation of the outer inviscid flow. An explicit and an implicit finite difference scheme have been developed and applied in several illustrative examples. The examples include mixing of planar and axisymmetric supersonic jets of different composition with both matched and unmatched static pressures. Numerical results were compared with available experimental data obtained for the unmatched pressure case.

Kurkov, A. P.↗

DOE OSTI2023

Hybrid Data‐Driven Discovery of High‐Performance Silver Selenide‐Based Thermoelectric Composites

Optimizing material compositions often enhances thermoelectric performances. However, the large selection of possible base elements and dopants results in a vast composition design space that is too large to systematically search using solely domain knowledge. To address this challenge, a hybrid data-driven strategy that integrates Bayesian optimization (BO) and Gaussian process regression (GPR) is proposed to optimize the composition of five elements (Ag, Se, S, Cu, and Te) in AgSe-based thermoelectric materials. Data is collected from the literature to provide prior knowledge for the initial GPR model, which is updated by actively collected experimental data during the iteration between BO and experiments. Within seven iterations, the optimized AgSe-based materials prepared using a simple high-throughput ink mixing and blade coating method deliver a high power factor of 2100 µW m −1 K −2 , which is a 75% improvement from the baseline composite (nominal composition of Ag 2 Se 1 ). In conclusion, the success of this study provides opportunities to generalize the demonstrated active machine learning technique to accelerate the development and optimization of a wide range of material systems with reduced experimental trials.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Direct Recycling of Blended Cathode Materials by Froth Flotation

We report that direct Li-ion battery recycling involves separating cathode active materials in the solid phase while preserving their electrochemical performance. To reuse the recycled ones in new batteries, it is necessary to separate individual cathode components, which would typically occur prior to the rejuvenation and any compositional reformulation processes. Herein, a froth flotation process is developed to separate pristine lithium nickel-manganese-cobalt oxide (LiNi 0.333 Mn 0.333 Co 0.333 O 2 , NMC111) and lithium manganese oxide (LMO) materials. The flotation results show that with multiple stages of the separation processes, a satisfactory separation is achieved with 95% grade or above of NMC111 in the froth product and 95% grade of LMO in the tailing product. The electrochemistry results show that the flotation chemicals have negligible impact on the electrochemical performance of recycled active materials, whereas the NMC111 exhibits a minor capacity fade after being in contact with deionized water at 2% solid concentration. An improvement in both the rate and cycling performance is achieved at 10% solid concentration or higher. It is found that there is little compositional and structural change to the aqueous recycled NMC111 powders. An effective and low-cost separation method for direct recycling mixed cathode compositions is demonstrated.

25 ENERGY STORAGE↗

DOE OSTI2019

Virtual monoenergetic reconstruction of contrast-enhanced CT scans of the abdomen and pelvis at 40 keV improves the detection of peritoneal metastatic deposits

Purpose: To evaluate the role of virtual monoenergetic imaging (VMI) in the detection of peritoneal metastatic disease in contrast-enhanced computed tomography (CT) of the abdomen and pelvis and to compare this technique to the conventional 120 kV mixed dataset. Materials and methods: Institutional review board approval was obtained with no informed consent required for this retrospective analysis. 43 consecutive patients with histopathologically confirmed peritoneal disease were scanned using a standard protocol on a 128-section dual-source, dual-energy CT system (100/140 keV). Scans were retrospectively reconstructed at VMI energy levels from 40–110 keV in 10 keV increments and were analyzed both quantitatively and qualitatively. CNR values for peritoneal metastatic deposits were recorded using region of interest (ROI) analysis at each energy level for all VMI datasets. Subjective analysis was performed by two independent fellowship-trained readers with combined experience of greater than 15 years. Qualitative parameters included diagnostic acceptability, subjective noise, and contrast resolution and confidence. Results: The contrast-to-noise ratios (CNRs) for peritoneal metastatic deposits at the different VMI energy levels were compared using a one-way ANOVA with Tukey Post Test, and the optimal CNR was observed at 40 keV (p < 0.0001). Qualitative parameters were compared using a Paired T Test. Subjective noise, diagnostic acceptability, and contrast resolution was significantly better on the conventional images, but readers reported increased confidence on VMI at 40 keV (p < 0.001). Conclusion: VMI reconstruction of contrast-enhanced dual-energy CT scans of the abdomen and pelvis at 40 keV maximizes the conspicuity of metastatic peritoneal deposits and improves radiologists’ diagnostic confidence compared with conventional CT images. We recommend using virtual monoenergetic datasets at 40 keV as a tool for improving the detection of these lesions in routine clinical practice.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2022

Synthesis of americium trichloride via chlorination of americium oxide using zirconium tetrachloride in LiCl-KCl molten salt

To better inform electrorefining operations of used nuclear fuel, a fundamental understanding of the electrochemical properties of each actinide in the molten salt electrolyte is needed. Access to actinide chlorides is thus required to support measurement of these properties. In this work, we synthesized americium trichloride through a novel pathway comprising chlorination of Am2O3 with ZrCl4 in a LiCl-KCl molten salt at 500 degrees C. The formation of AmCl3 was confirmed by cyclic voltammetry and gamma spectroscopy. This chlorination method does not produce mixed hazardous-radioactive waste and the byproduct, ZrO2, is not electrochemically active and does not affect the actinide electrodeposition reaction.

actinide chloride synthesis↗

DOE OSTI2019

First order formulation of the Yang–Mills theory in a background field

The background gauge renormalization of the first order formulation of the Yang–Mills theory is studied by using the BRST identities. Together with the background symmetry, these identities allow for an iterative proof of renormalizability to all orders in perturbation theory. However, due to the fact that certain improper diagrams which violate the BRST symmetry should be removed, the renormalizability must be deduced indirectly. The recursive method involves rescalings and mixings of the fields, which lead to a renormalized effective action for the background field theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗