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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Simulation of Bubble Behavior in a Water Physical Model of an Aluminum Degassing Ladle Unit Employing Compound Technique of Rotary Blowing and Ultrasonic

A two-dimensional volume of fluid (VOF) model was developed to simulate the behavior of bubbles in a physical model of the aluminum degassing unit employing the compound technique of rotary blowing and ultrasonic. The effect of rotation speed on bubble behavior under rotating flow field, and the effects of ultrasonic parameters including the amplitude, length, and position of ultrasonic end-face on bubble behavior under compound field were analyzed according to the simulation results, respectively. The experiment shows the simulation results for the bubble shape and trajectory agree well with the experimental observations. Under single rotating flow field, the rotation speed has a strong impact upon bubble trajectory and the optimal speed is 450 rpm. Under compound field, ultrasonic can increase the number of broken bubbles, and push bubbles to further area, which is beneficial to strengthen the bubble distribution and improve the degassing effect. The appropriate amplitude, length, and position of ultrasonic end-face are 23 μm, 50 mm, and 185 mm.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Highly Ordered Mesoporous Bimetallic Phosphides as Efficient Oxygen Evolution Electrocatalysts

Oxygen evolution from water using earth abundant transition metal based catalysts is of importance for the commercialization of water electrolyzer. Herein, we report a novel hard templating method to synthesize transition metal phosphides with uniform shape and size. By virtue of the structural feature, synergistic effect among metals and the in situ formed active species, the as-prepared phosphides with optimized composition present enhanced electrocatalytic performance towards oxygen evolution reaction in alkaline solution. In details, the most efficient catalyst reaches a current density of 10 mA/cm2 at a potential of 1.511 V vs reversible hydrogen electrode, which is much lower than that of commercial RuO2 catalyst. Our work offers a new strategy to optimize the catalysts for water splitting by controlling the morphology and composition.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2016

A high-performance broadband terahertz absorber based on sawtooth-shape doped-silicon

Perfect absorbers with broadband absorption of terahertz (THz) radiation are promising for applications in imaging and detection to enhance the contrast and sensitivity, as well as to provide concealment. Different from previous two-dimensional structures, here we put forward a new type of THz absorber based on sawtooth-shape doped-silicon with near-unit absorption across a broad spectral range. Absorbance over 99% is observed numerically from 1.2 to 3 THz by optimizing the geometric parameters of the sawtooth structure. Our absorbers can operate over a wide range of incident angle and are polarization insensitive. The underlying mechanisms due to the combination of an air-cavity mode and mode-matching resonance on the air-sawtooth interface are analyzed in terms of the field patterns and electromagnetic power loss features.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

High Energy Electromagnetic Particle Transportation on the GPU

We present massively parallel high energy electromagnetic particle transportation through a finely segmented detector on a Graphics Processing Unit (GPU). Simulating events of energetic particle decay in a general-purpose high energy physics (HEP) detector requires intensive computing resources, due to the complexity of the geometry as well as physics processes applied to particles copiously produced by primary collisions and secondary interactions. The recent advent of hardware architectures of many-core or accelerated processors provides the variety of concurrent programming models applicable not only for the high performance parallel computing, but also for the conventional computing intensive application such as the HEP detector simulation. The components of our prototype are a transportation process under a non-uniform magnetic field, geometry navigation with a set of solid shapes and materials, electromagnetic physics processes for electrons and photons, and an interface to a framework that dispatches bundles of tracks in a highly vectorized manner optimizing for spatial locality and throughput. Core algorithms and methods are excerpted from the Geant4 toolkit, and are modified and optimized for the GPU application. Program kernels written in C/C++ are designed to be compatible with CUDA and OpenCL and with the aim to be generic enough for easy porting to future programming models and hardware architectures. To improve throughput by overlapping data transfers with kernel execution, multiple CUDA streams are used. Issues with floating point accuracy, random numbers generation, data structure, kernel divergences and register spills are also considered. Performance evaluation for the relative speedup compared to the corresponding sequential execution on CPU is presented as well.

Canal, P.↗
DOE OSTI2014

SU-F-18C-02: Evaluations of the Noise Power Spectrum of a CT Iterative Reconstruction Technique for Radiation Therapy

Purpose: To quantitatively assess the noise power spectrum (NPS) of the new, commercially released CT iterative reconstruction technique, iDose{sup 4} from Philips, to compare it with filtered back-projection techniques (FBP), and to provide clinical practice suggestions for radiation therapy. Methods: A uniform phantom was CT imaged with 120kVp tube potential over a range of mAs (250-3333). The image sets were reconstructed using two reconstruction algorithms (FBP and iDose{sup 4} with noise reduction levels 1, 3, and 6) and three reconstruction filters (standard B, smooth A, and sharp C), after which NPS variations were analyzed and compared on region of interest (ROI) sizes (16×16 to 128×128 pixels), ROI radii (0–65 mm), reconstruction algorithms, reconstruction filters, and mAs. Results: The NPS magnitude and shape depended considerably on ROI size and location for both reconstruction algorithms. Regional noise variance became more stationary as ROI size decreased, minimizing NPS artifacts. The optimal 32×32-pixel ROI size balanced the trade-off between stationary noise and adequate sampling. NPS artifacts were greatest at the center of reconstruction space and decreased with increasing ROI distance from the center. The optimal ROI position was located near the phantom's radial midpoint (∼40mm). For sharper filters, the NPS magnitude and the maximum magnitude frequency increased. Higher dose scans yielded lower NPS magnitudes for both reconstruction algorithms and all filters. Compared to FBP, the iDose{sup 4} algorithm reduced the NPS magnitude while preferentially reducing noise at mid-range spatial frequencies, altering noise texture. This reduction was more significant with increasing iDose{sup 4} noise reduction level. Conclusion: Compared to pixel standard deviation, NPS has greater clinical potential for task-based image quality assessment, describing both the magnitude and spatial frequency characteristics of image noise. While iDose{sup 4} reduces the NPS magnitude more dramatically than FBP, further studies are needed to assess the impacts of noise texture alteration on its clinical usage.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2016

MO-DE-207A-02: A Feature-Preserving Image Reconstruction Method for Improved Pancreaticlesion Classification in Diagnostic CT Imaging

Purpose: To develop a feature-preserving model based image reconstruction (MBIR) method that improves performance in pancreatic lesion classification at equal or reduced radiation dose. Methods: A set of pancreatic lesion models was created with both benign and premalignant lesion types. These two classes of lesions are distinguished by their fine internal structures; their delineation is therefore crucial to the task of pancreatic lesion classification. To reduce image noise while preserving the features of the lesions, we developed a MBIR method with curvature-based regularization. The novel regularization encourages formation of smooth surfaces that model both the exterior shape and the internal features of pancreatic lesions. Given that the curvature depends on the unknown image, image reconstruction or denoising becomes a non-convex optimization problem; to address this issue an iterative-reweighting scheme was used to calculate and update the curvature using the image from the previous iteration. Evaluation was carried out with insertion of the lesion models into the pancreas of a patient CT image. Results: Visual inspection was used to compare conventional TV regularization with our curvature-based regularization. Several penalty-strengths were considered for TV regularization, all of which resulted in erasing portions of the septation (thin partition) in a premalignant lesion. At matched noise variance (50% noise reduction in the patient stomach region), the connectivity of the septation was well preserved using the proposed curvature-based method. Conclusion: The curvature-based regularization is able to reduce image noise while simultaneously preserving the lesion features. This method could potentially improve task performance for pancreatic lesion classification at equal or reduced radiation dose. The result is of high significance for longitudinal surveillance studies of patients with pancreatic cysts, which may develop into pancreatic cancer. The Senior Author receives financial support from Siemens GmbH Healthcare.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Hydroelectric Power and Hydrogen Production Integration

Hydropower-based hydrogen production could introduce opportunities for new revenue streams for hydropower plants, including from energy storage and regeneration as well as from sale of the hydrogen product to external markets. Hydrogen-based energy storage and regeneration could also help support Idaho Power’s decarbonization goals by decreasing dependence on fossil-based peaking power plants. Additionally, integration of hydrogen production with hydropower generation could help address the issue of low dissolved oxygen river water conditions that commonly accompany hydropower plant operations by utilizing the oxygen byproduct from an electrolytic hydrogen production process as a resource for mitigation of low dissolved oxygen water conditions. Comprehensive techno-economic analysis of the hybrid hydroelectric and hydrogen energy storage system has revealed critical insights into the pathways and considerations for optimizing the economic value and environmental benefits of such systems. Among the three identified pathways of natural gas blending, regeneration, and direct sale of hydrogen, the direct sale of hydrogen emerges as the most profitable, particularly given the current pricing dynamics of hydrogen and electricity. However, as we anticipate a future grid characterized by higher renewable energy penetration, the landscape may evolve, featuring lower average electricity prices, heightened fluctuations, and more significant seasonal variations. Consequently, the attractiveness of electricity regeneration through hydrogen and the benefits of long-duration hydrogen storage are expected to increase substantially in such a dynamic energy scenario. The careful selection of component sizes within the hybrid system proves to be paramount for ensuring cost-effectiveness. Notably, the size of the hydrogen market has emerged as a critical determinant for the optimal size of the electrolyzer. Hydrogen storage should be sized to meet energy shifting requirements. The appropriate size of the fuel cell/microturbine generator hinges on the shape of electricity prices and the available revenue streams derived from participating in grid services. Striking the right balance among these components is essential for maximizing the overall efficiency and profitability of the hydrogen facility. Furthermore, the by-product of electrolysis, namely oxygen, introduces an additional dimension to the system's functionality. The oxygen generated can be effectively utilized for dissolved oxygen (DO) mitigation, particularly with larger electrolyzer sizes capable of satisfying the complete oxygen demand for this purpose. While the economic benefits derived from saved oxygen purchase costs may be relatively modest compared to other revenue streams, the environmental advantages of repurposing oxygen for DO mitigation could help Idaho Power meet their environmental obligations. In addition to the identified factors shaping the viability of hybrid hydrogen production and hydroelectric generation, it is noteworthy that the integration of hydrogen energy storage offers a unique advantage during unusually wet years. In such periods of increased water inflow, the hydrogen storage capacity serves as a valuable supplement to the reservoir. By utilizing hydrogen energy storage as a complementary reservoir, the system gains flexibility in reservoir management when dealing with fluctuations in water availability.

08 HYDROGEN↗
DOE OSTI2019

Constructing stellarators with quasisymmetry to high order

Here, a method is given to rapidly compute quasisymmetric stellarator magnetic fields for plasma confinement, without the need to call a three-dimensional magnetohydrodynamic equilibrium code inside an optimization iteration. The method is based on direct solution of the equations of magnetohydrodynamic equilibrium and quasisymmetry using Garren & Boozer’s expansion about the magnetic axis ( Phys Fluids B, vol. 3, 1991, p. 2805), and it is several orders of magnitude faster than the conventional optimization approach. The work here extends the method of Landreman et al. ( J. Plasma Phys. , vol. 85, 2019, 905850103), which was limited to flux surfaces with elliptical cross-section, to higher order in the aspect-ratio expansion. As a result, configurations can be generated with strong shaping that achieve quasisymmetry to high accuracy. Using this construction, we give the first numerical demonstrations of Garren and Boozer’s ideal scaling of quasisymmetry breaking with the cube of the inverse aspect ratio. We also demonstrate a strongly non-axisymmetric configuration (vacuum rotational transform $\unicode[STIX]{x1D704} >0.4$ ) in which symmetry-breaking mode amplitudes throughout a finite volume are ${<}2\times 10^{-7}$ , the smallest ever reported. To generate boundary shapes of finite-minor-radius configurations, a careful analysis is given of the effect of substituting a finite minor radius into the near-axis expansion. In conclusion, the approach here can provide analytic insight into the space of possible quasisymmetric stellarator configurations, and it can be used to generate good initial conditions for conventional stellarator optimization.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Quantifying dispersity in size and shape of nanoparticles from small-angle scattering data using machine learning based CREASE

Here, we use machine learning (ML) enhanced computational reverse engineering analysis of scattering experiments (CREASE) to interpret small-angle X-ray scattering (SAXS) data obtained from a system of nanoparticles without a priori knowledge of their exact shapes (e.g. spheres or ellipsoids), sizes (0.5–50 nm) and distributions. The SAXS measurements yielded three categories of scattering profiles exhibiting 'strong', 'weak' and 'no' features. Diminishing features (e.g. broadening or disappearing peaks) in scattering profiles have always been attributed to the presence of significant dispersity in the system. Such featureless SAXS data are not suitable for traditional analysis using analytical models. If one were to fit a relevant analytical model (e.g. the lmfit analytical model for polydisperse spheres) to these 'weak' and 'no' SAXS profiles from our nanoparticle systems, one would obtain non-unique interpretations of the data. Relying on electron microscopy to identify the distributions of nanoparticle shapes and sizes is also unfeasible, especially in high-throughput synthesis and characterization loops. In such situations, to identify the distributions of particle sizes and shapes that could be present in the sample, one must rely on methods like ML-CREASE to interpret the data quickly and output all relevant interpretations about the structure present in the system. The ML-CREASE optimization loop takes the experimental scattering profile as input and outputs multiple candidate solutions whose computed scattering profiles match the SAXS profile input. The ML-CREASE method outputs distributions of relevant structural features, such as the volume fraction of the nanoparticles in the system and the mean and standard deviation of the particle size and aspect ratio, assuming a type of distribution (e.g. normal, log-normal) for size and aspect ratio. We find that, for the SAXS profiles analyzed here, accounting for the shape dispersity along with size dispersity of the nanoparticles using ML-CREASE improved the match between the computed scattering profiles and input experimental profiles.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

High Brightness Superconducting RF Gun Cavity

The Phase I goals were to numerically optimize a TM020/TM010 SRF gun with a demountable back wall, using SLAC’s state-of-the-art massive parallel ACE3P suite of 3D Finite Element Analysis codes available at the National Energy Research Scientific Computing Center (NERSC) , which includes: a) TM020 cell shape, including impact of RF focusing on beam dynamics; b) optimum number of TM010-cells to achieve low emittances; c) multipacting simulations back wall opening; d) dark current investigations; e) studies on LOM and HOM damping with waveguides/port on TM020-cells using wakefield solver can be conducted as well but are not required stringently; f) conceptual design of a power input coupler; g) multiphysics simulations to optimize the gun thermal management and cooling requirements for a superconducting joint; h) multivariate beam dynamical optimization in conjunction with the gun optimization; and i) finalize an engineering design for vertical high power tests at JLab.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

A liquid hydrogen tube moderator arrangement for SNS second target station

Liquid hydrogen filled tubes arranged in a triangular shape surrounded by light-water premoderators were investigated as cold moderators coupled to a neutron production zone of a tungsten target fed by a 1.3 GeV proton beam in a short-pulse mode. A moderator concept optimized for the tube length, premoderator thickness, and target position was found to deliver the highest pulse-integrated neutron brightness suitable to send cold neutron beams for neutron scattering instrumentation geared toward medium resolution and small samples. Reducing the tube diameter from 50 to 10 mm boosts the cold neutron brightness (E < 10 meV) by a factor of 2.25, also with enhancements seen by downsizing the height of cylindrical moderators in earlier studies. Attempts were made to characterize this novel moderator system with regard to pulse shapes, local brightness distribution, and angular distribution of emission at the neutron emission port.

Gallmeier, Franz X. (ORCID:0000000171500764)↗
DOE OSTI2018

Predictions of macro-scale fracture geometries from acoustic emission point cloud data in a hydraulic fracturing experiment

Observations of laboratory fracture testing by means of acoustic emission (AE) can provide a wealth of information regarding the fracturing process and the subsequent damage of the material or structure under load. A method for determining the structure of macro-scale fractures from a point cloud of AE events was developed and tested at the laboratory scale. An unconfined hydraulic fracturing experiment was performed on granite while monitoring acoustic emissions from six piezoelectric transducers on the surfaces of the specimen. The granite specimen dimensions were 30 × 30 × 25 cm 3 . The motivation of the AE analysis was to provide location information for a secondary wellbore placement which intersects the hydraulic fracture to complete a hydraulically connected binary well-hydraulic fracture system. Information gained from the 3D event source locations was used to optimize the location and orientation of secondary production well placement to intersect the induced hydraulic fracture. A direct method was developed to predict the location, orientation and shape of the hydraulic fracture from a dense cloud of AE events. The predicted fracture plane, which was assumed to be planar, was rotated in both the pitch and roll directions, while an average error of AE event distance between the assumed plane and the individual event locations was determined for each rotation iteration, resulting with a predicted fracture plane in the minimum error orientation. Post-test fracture observations were made and digitized in 3D space from coring and slabbing the granite specimen. The actual fracture observations were compared with the predicted fracture structure from AE and showed marked correlation. In conclusion, the simple method of determining macro-scale fracture location, orientation, and extents provided a useful tool for materials that exhibit large and disperse clouds of AE activity where coalesced fracture structure is not apparent.

42 ENGINEERING↗
DOE OSTI2026

Experimental design of a W-band corrugated waveguide for wakefield acceleration studies

Radiofrequency (RF) structures in the sub-terahertz (sub-THz) regime are of interest for applications in structure wakefield acceleration due to their compact size and potential for high gradients. Here, we present the design, fabrication, and experimental setup of a metallic corrugated waveguide at 110 GHz, optimized for the 42 MeV electron beam parameters at the Argonne Wakefield Accelerator (AWA). The emittance exchange (EEX) beamline at AWA was used to perform longitudinal bunch shaping for two cases: (1) a high decelerating gradient experienced by a single drive electron bunch about 250 μm long; (2) a high transformer ratio using a two-bunch train consisting of a triangularly shaped drive bunch followed by a long witness bunch to probe the wakefield. Preliminary experimental results are presented, and data analysis is ongoing.

43 PARTICLE ACCELERATORS↗
DOE OSTI2016

Evaluating quantitative 3-D image analysis as a design tool for low enriched uranium fuel compacts for the transient reactor test facility: A preliminary study

In this study, 3-D image analysis when combined with a non-destructive examination technique such as X-ray computed tomography (CT) provides a highly quantitative tool for the investigation of a material’s structure. In this investigation 3-D image analysis and X-ray CT were combined to analyze the microstructure of a preliminary subsized fuel compact for the Transient Reactor Test Facility’s low enriched uranium conversion program to assess the feasibility of the combined techniques for use in the optimization of the fuel compact fabrication process. The quantitative image analysis focused on determining the size and spatial distribution of the surrogate fuel particles and the size, shape, and orientation of voids within the compact. Additionally, the maximum effect of microstructural features on heat transfer through the carbonaceous matrix of the preliminary compact was estimated. The surrogate fuel particles occupied 0.8% of the compact by volume with a log-normal distribution of particle sizes with a mean diameter of 39 μm and a standard deviation of 16 μm. Roughly 39% of the particles had a diameter greater than the specified maximum particle size of 44 μm suggesting that the particles agglomerate during fabrication. The local volume fraction of particles also varies significantly within the compact although uniformities appear to be evenly dispersed throughout the analysed volume. The voids produced during fabrication were on average plate-like in nature with their major axis oriented perpendicular to the compaction direction of the compact. Finally, the microstructure, mainly the large preferentially oriented voids, may cause a small degree of anisotropy in the thermal diffusivity within the compact. α∥/α⊥, the ratio of thermal diffusivities parallel to and perpendicular to the compaction direction are expected to be no less than 0.95 with an upper bound of 1.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Autonomous phase mapping of gold nanoparticles synthesis with differentiable models of spectral shape

Autonomous experimentation–or self-driving labs–offers a systematic approach to accelerate materials discovery by integrating automated synthesis, characterization, and data-driven decision-making. We present a closed-loop workflow for the on-demand synthesis and structural characterization of colloidal gold nanoparticles, enabling direct mapping from composition to nanoscale structure. Our framework leverages differentiable models of spectral shape to address two central tasks in self-driving labs: (a) phase mapping, or identifying compositional regions with distinct structural behavior; and (b) material retrosynthesis, or optimizing compositions for target structure. Using functional data analysis, we develop a data-driven model with generative pre-training, active learning, and high-throughput experiments to predict spectral responses across composition space. We demonstrate the approach on seed-mediated growth of gold nanoparticles, showcasing its ability to extract design rules, reveal secondary interactions, and efficiently navigate morphology space. Gradient-based optimization of the models enables inverse design, making this a unified platform.

36 MATERIALS SCIENCE↗
DOE OSTI2016

New experimental approaches to investigate the fission dynamics

The first ever achieved full identification of both fission fragments, in atomic and mass number, made it possible to define new observables sensitive to the fission dynamics along the fission path up to the scission point. Moreover, proton-induced fission of {sup 208}Pb at high energies offers optimal conditions for the investigation of dissipative, and transient effects, because of the high-excitation energy of the fissioning nuclei, its low angular momentum, and limited shape distortion by the reaction. In this work we show that the charge distribution of the final fission fragments can constrain the ground-to-saddle dynamics while the mass distribution is sensitive to the dynamics until the scission point.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Continuous wave room temperature operation of the 2 $μ$m GaSb-based photonic crystal surface emitting diode lasers

Continuous wave room temperature operation of 2 μm GaSb-based photonic-crystal surface-emitting diode lasers has been realized. The deep etched square mesa devices showed threshold current densities of 500 A/cm 2 at 20 °C. The epi-side down mounted lasers generated above 10 mW of output power in the continuous wave regime and tens of milliwatts in pulses from the 200 × 200 μm 2 aperture. Here, the breakthrough in the device performance parameters was achieved thanks to a highly homogeneous air-pocket retaining epitaxial regrowth process optimized for a specifically designed antimonide diode laser heterostructure. The nanofabrication method utilizing low temperature atomic hydrogen surface cleaning yielded low disorder square lattice of droplet-shaped voids covered by uniform p-cladding layer. The laser emission spectrum as well as near/far field patterns demonstrated peculiar features presumably linked to deformation of the void shape during regrowth and formation of the array of filaments.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Phototaxis in a wild isolate of the cyanobacterium Synechococcus elongatus

Many cyanobacteria, which use light as an energy source via photosynthesis, have evolved the ability to guide their movement toward or away from a light source. This process, termed “phototaxis,” enables organisms to localize in optimal light environments for improved growth and fitness. Mechanisms of phototaxis have been studied in the coccoid cyanobacterium Synechocystis sp. strain PCC 6803, but the rod-shaped Synechococcus elongatus PCC 7942, studied for circadian rhythms and metabolic engineering, has no phototactic motility. In this study we report a recent environmental isolate of S. elongatus , the strain UTEX 3055, whose genome is 98.5% identical to that of PCC 7942 but which is motile and phototactic. A six-gene operon encoding chemotaxis-like proteins was confirmed to be involved in phototaxis. Environmental light signals are perceived by a cyanobacteriochrome, PixJ Se (Synpcc7942_0858), which carries five GAF domains that are responsive to blue/green light and resemble those of PixJ from Synechocystis . Furthermore, plate-based phototaxis assays indicate that UTEX 3055 uses PixJ Se to sense blue and green light. Mutation of conserved functional cysteine residues in different GAF domains indicates that PixJ Se controls both positive and negative phototaxis, in contrast to the multiple proteins that are employed for implementing bidirectional phototaxis in Synechocystis .

59 BASIC BIOLOGICAL SCIENCES↗