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NASA NTRS2016

Changes in Flat Plate Wake Characteristics Obtained With Decreasing Plate Thickness

The near and very near wake of a flat plate with a circular trailing edge is investigated with data from direct numerical simulations. Computations were performed for four different Reynolds numbers based on plate thickness (D) and at constant plate length. The value of θ/D varies by a factor of approximately 20 in the computations (θ being the boundary layer momentum thickness at the trailing edge). The separating boundary layers are turbulent in all the cases. One objective of the study is to understand the changes in wake characteristics as the plate thickness is reduced (increasing θ/D). Vortex shedding is vigorous in the low θ/D cases with a substantial decrease in shedding intensity in the largest θ/D case (for all practical purposes shedding becomes almost intermittent). Other characteristics that are significantly altered with increasing θ/D are the roll-up of the detached shear layers and the magnitude of fluctuations in shedding period. These effects are explored in depth. The effects of changing θ/D on the distributions of the time-averaged, near-wake velocity statistics are discussed.

Wakes↗

DOE OSTI2021

Scalable Pattern Matching in Metadata Graphs via Constraint Checking

Pattern matching is a fundamental tool for answering complex graph queries. Unfortunately, existing solutions have limited capabilities: They do not scale to process large graphs and/or support only a restricted set of search templates or usage scenarios. Moreover, the algorithms at the core of the existing techniques are not suitable for today’s graph processing infrastructures relying on horizontal scalability and shared-nothing clusters, as most of these algorithms are inherently sequential and difficult to parallelize. In this article we present an algorithmic pipeline that bases pattern matching on constraint checking. The key intuition is that each vertex and edge participating in a match has to meet a set of constraints implicitly specified by the search template. These constraints can be verified independently and typically are less expensive to compute than searching the full template. The pipeline we propose generates these constraints and iterates over them to eliminate all the vertices and edges that do not participate in any match, thus reducing the background graph to a subgraph that is the union of all template matches—the complete set of all vertices and edges that participate in at least one match. Additional analysis can be performed on this annotated, reduced graph, such as full match enumeration, match counting, or computing vertex/edge centrality. Furthermore, a vertex-centric formulation for constraint checking algorithms exists, and this makes it possible to harness existing high-performance, vertex-centric graph processing frameworks. This technique (i) enables highly scalable pattern matching in metadata (labeled) graphs; (ii) supports arbitrary patterns with 100% precision; (iii) enables tradeoffs between precision and time-to-solution, while always selects all vertices and edges that participate in matches, thus offering 100% recall; and (iv) supports a set of popular data analytics scenarios. We implement our approach on top of HavoqGT, an open-source asynchronous graph processing framework, and demonstrate its advantages through strong and weak scaling experiments on massive scale real-world (up to 257 billion edges) and synthetic (up to 4.4 trillion edges) labeled graphs, respectively, and at scales (1,024 nodes / 36,864 cores), orders of magnitude larger than used in the past for similar problems. This article serves two purposes: First, it synthesises the knowledge accumulated during a long-term project. Second, it presents new system features, usage scenarios, optimizations, and comparisons with related work that strengthen the confidence that pattern matching based on iterative pruning via constraint checking is an effective and scalable approach in practice. The new contributions include the following: (i) We demonstrate the ability of the constraint checking approach to efficiently support two additional search scenarios that often emerge in practice, interactive incremental search and exploratory search. (ii) We empirically compare our solution with two additional state-of-the-art systems, Arabsque and TriAD. (iii) We show the ability of our solution to accommodate a more diverse range of datasets with varying properties, e.g., scale, skewness, label distribution, and match frequency. (iv) We introduce or extend a number of system features (e.g., work aggregation, load balancing, and the ability to cap the generated traffic) and design optimizations and demonstrate their advantages with respect to improving performance and scalability. (v) We present bottleneck analysis and insights into artifacts that influence performance. (vi) We present a theoretical complexity argument that motivates the performance gains we observe.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Solving Graph Laplacian Systems Through Recursive Bisections and Two-Grid Preconditioning

We present a parallelizable direct method for computing the solution to graph Laplacian-based linear systems derived from graphs that can be hierarchically bipartitioned with small edge cuts. For a graph of size n with constant-size edge cuts, our method decomposes a graph Laplacian in time O(n log n), and then uses that decomposition to perform a linear solve in time O(n log n). We then use the developed technique to design a preconditioner for graph Laplacians that do not have this property. Finally, we augment this preconditioner with a two-grid method that accounts for much of the preconditioner's weaknesses. We present an analysis of this method, as well as a general theorem for the condition number of a general class of two-grid support graph-based preconditioners. Numerical experiments illustrate the performance of the studied methods.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

A reduced model for the ITER divertor based on SOLPS solutions for ITER Q = 10 baseline conditions: A. identifying options for the control parameters*

Edge codes such as SOLPS coupled to neutral codes such as EIRENE have become so comprehensive and sophisticated that they now constitute, in effect, 'code-experiments' that, as for actual experiments, can benefit from interpretation using simple models and conceptual frameworks, i.e. reduced models. The first task is the identification of options for the reduced model control parameters that are best suited for control of the action of the divertor, i.e. for control of target power loading and sputter-erosion, primarily. A strong correlation between the electron temperature at the divertor target, T e,t , and the neutral deuterium D 2 density at the target, n D2,t , flux-tube resolved, has recently been reported for a number of code studies including SOLPS-4.3 modeling of a set of ~50 ITER baseline cases: Q DT = 10, q 95 = 3, P SOL = 100 MW, metallic walls, and Ne seeding. This part A of the present study reports new results for largely the same ITER cases, confirming the strong correlations reported earlier between local values of T e,t , and (i) n D2,t , and (ii) normalized volumetric losses of power and pressure in the divertor. Strong correlations have now also been found, and are reported here for the first time, between T e,t and all of the divertor target quantities of practical interest. A physical explanation for this surprising result has not been fully identified; nevertheless it has encouraging implications for reduced modeling of the ITER divertor. For such ITER conditions, (i) the global Ne injection rate, Inj Ne [Ne/s], and (ii) the electron temperature at the location on the target where the peak power deposition occurs, T e,t @q ⊥,pk (eV), are found to be promising reduced model control parameters. In the companion report, part B, a reduced model for the ITER divertor is developed and described in detail, based on reversed-direction 2 point modelling, Rev2PM. The input to the reduced model is a value of the variable pair (T et @q ⟂,pk ,Inj Ne ) and the output are values of the various target as well as divertor-entrance quantities of practical interest, e.g. q ⊥,pk , n e,Xpt (the electron density at the poloidal location of the X-point), etc. In part B the reduced model is quantitatively characterized using one half of the code cases; it is then used to successfully predict (replicate) the code values of e.g. n e,Xpt for the other half of the cases.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2015

Edge-terminated molybdenum disulfide with a 9.4-Å interlayer spacing for electrochemical hydrogen production

Layered molybdenum disulfide has demonstrated great promise as a low-cost alternative to platinum-based catalysts for electrochemical hydrogen production from water. Research effort on this material has focused mainly on synthesizing highly nanostructured molybdenum disulfide that allows the exposure of a large fraction of active edge sites. Here we report a promising microwave-assisted strategy for the synthesis of narrow molybdenum disulfide nanosheets with edge-terminated structure and a significantly expanded interlayer spacing, which exhibit striking kinetic metrics with onset potential of -103 mV, Tafel slope of 49 mV per decade and exchange current density of 9.62 × 10-3 mA cm-2, performing among the best of current molybdenum disulfide catalysts. Besides benefits from the edge-terminated structure, the expanded interlayer distance with modified electronic structure is also responsible for the observed catalytic improvement, which suggests a potential way to design newly advanced molybdenum disulfide catalysts through modulating the interlayer distance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2019

Spacecraft Lighting to Mitigate Microbial Growth

In this innovation project, we investigated the usage of narrow band violet light (408 nm) to attenuate the growth of bacteria typically found on ISS. Violet light is less hazardous than UV light and it can transmit through plastics, such as clear acrylics, making it possible to incorporate into large surface lamps and acrylic or polycarbonate based optical light guides. This study built a custom LED surface panel that was edge lit by an array of 408 nm violet LEDS. The optical light guide technology used in the lamp and the 408 nm violet LEDs are available on the market from multiple vendors. The application of the concept of using violet light driven LED panels and optical light guides is to integrate the paneling into spacecraft architectural surfaces for the automation of a light based microbial countermeasure that could enhance current cleaning methods used in areas on spacecraft prone to microbial growth.

Clark, Toni A.↗

NASA NTRS2011

Model-Based Wavefront Control for CCAT

The 25-m aperture CCAT submillimeter-wave telescope will have a primary mirror that is divided into 162 individual segments, each of which is provided with 3 positioning actuators. CCAT will be equipped with innovative Imaging Displacement Sensors (IDS) inexpensive optical edge sensors capable of accurately measuring all segment relative motions. These measurements are used in a Kalman-filter-based Optical State Estimator to estimate wavefront errors, permitting use of a minimum-wavefront controller without direct wavefront measurement. This controller corrects the optical impact of errors in 6 degrees of freedom per segment, including lateral translations of the segments, using only the 3 actuated degrees of freedom per segment. The global motions of the Primary and Secondary Mirrors are not measured by the edge sensors. These are controlled using a gravity-sag look-up table. Predicted performance is illustrated by simulated response to errors such as gravity sag.

edge sensor↗

NASA NTRS1974

Theory of discrete vortex noise

A solution is obtained for the noise induced by vortex shedding from the trailing edge of a semiinfinite flat plate. The method of solution for the potential flow is based on a procedure whereby an inner incompressible flow is matched to an outer acoustic field. Acoustic wave fronts are calculated and compared qualitatively with schlieren photographs of similar flows. The acoustic directivity pattern is obtained, and the extreme sensitivity of this parameter to the incompressible flow near the trailing edge of the plate is investigated.

Davis, S. S.↗

DOE OSTI2014

WE-D-9A-01: A Novel Mesh-Based Deformable Surface-Contour Registration

Purpose: Initial guess is vital for 3D-2D deformable image registration (DIR) while dealing with large deformations for adaptive radiation therapy. A fast procedure has been developed to deform body surface to match 2D body contour on projections. This surface-contour DIR will provide an initial deformation for further complete 3D DIR or image reconstruction. Methods: Both planning CT images and come-beam CT (CBCT) projections are preprocessed to create 0–1 binary mask. Then the body surface and CBCT projection body contours are extracted by Canny edge detector. A finite element modeling system was developed to automatically generate adaptive meshes based on the image surface. After that, the projections of the CT surface voxels are computed and compared with corresponding 2D projection contours from CBCT scans. As a result, the displacement vector field (DVF) on mesh vertices around the surface was optimized iteratively until the shortest Euclidean distance between the pixels on the projections of the deformed CT surface and the corresponding CBCT projection contour is minimized. With the help of the tetrahedral meshes, we can smoothly diffuse the deformation from the surface into the interior of the volume. Finally, the deformed CT images are obtained by the optimal DVF applied on the original planning CT images. Results: The accuracy of the surface-contour registration is evaluated by 3D normalized cross correlation increased from 0.9176 to 0.9957 (sphere-ellipsoid phantom) and from 0.7627 to 0.7919 (H and N cancer patient data). Under the GPU-based implementation, our surface-contour-guided method on H and N cancer patient data takes 8 seconds/iteration, about 7.5 times faster than direct 3D method (60 seconds/iteration), and it needs fewer optimization iterations (30 iterations vs 50 iterations). Conclusion: The proposed surface-contour DIR method can substantially improve both the accuracy and the speed of reconstructing volumetric images, which is helpful for applying in adaptive radiotherapy. This research is supported by CPRIT individual investigator award RP110329.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2014

Cooling Strategies for Vane Leading Edges in a Syngas Environment Including Effects of Deposition and Turbulence

The Department of Energy has goals to move land based gas turbine systems to alternate fuels including coal derived synthetic gas and hydrogen. Coal is the most abundant energy resource in the US and in the world and it is economically advantageous to develop power systems which can use coal. Integrated gasification combined cycles are (IGCC) expected to allow the clean use of coal derived fuels while improving the ability to capture and sequester carbon dioxide. These cycles will need to maintain or increase turbine entry temperatures to develop competitive efficiencies. The use of coal derived syngas introduces a range of potential contaminants into the hot section of the gas turbine including sulfur, iron, calcium, and various alkali metals. Depending on the effectiveness of the gas clean up processes, there exists significant likelihood that the remaining materials will become molten in the combustion process and potentially deposit on downstream turbine surfaces. Past evidence suggests that deposition will be a strong function of increasing temperature. Currently, even with the best gas cleanup processes a small level of particulate matter in the syngas is expected. Consequently, particulate deposition is expected to be an important consideration in the design of turbine components. The leading edge region of first stage vanes most often have higher deposition rates than other areas due to strong fluid acceleration and streamline curvature in the vicinity of the surface. This region remains one of the most difficult areas in a turbine nozzle to cool due to high inlet temperatures and only a small pressure ratio for cooling. The leading edge of a vane often has relatively high heat transfer coefficients and is often cooled using showerhead film cooling arrays. The throat of the first stage nozzle is another area where deposition potentially has a strongly adverse effect on turbine performance as this region meters the turbine inlet flow. Based on roughness levels found on in service vanes (Bons, et al., 2001, up to 300 microns) flow blockage in first stage turbine nozzles can easily reach 1 to 2 percent in conventional turbines. Deposition levels in syngas fueled gas turbines are expected to be even more problematic. The likelihood of significant deposition to the leading edge of vanes in a syngas environment indicates the need to examine this effect on the leading edge cooling problem. It is critical to understand the influence of leading edge geometry and turbulence on deposition rates for both internally and showerhead cooled leading edge regions. The expected level of deposition in a vane stagnation region not only significantly changes the heat transfer problem but also suggests that cooling arrays may clog. Addressing the cooling issue suggests a need to better understand stagnation region heat transfer with realistic roughness as well as the other variables affecting transport near the leading edge. Also, the question of whether leading edge regions can be cooled internally with modern cooling approaches should also be raised, thus avoiding the clogging issue. Addressing deposition in the pressure side throat region of the nozzle is another critical issue for this environment. Issues such as examining the protective effect of slot and full coverage discrete-hole film cooling on limiting deposition as well as the influence of roughness and turbulence on effectiveness should be raised. The objective of this present study is to address these technical challenges to help enable the development of high efficiency syngas tolerant gas turbine engines.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2023

A Fast and Scalable Genetic Algorithm-Based Approach for Planning of Microgrids in Distribution Networks

As a result of climate change, extreme weather events are occurring more frequently and with increasing impact. This trend poses a significant challenge for distribution utilities and system operators to ensure that there is uninterrupted power supply to critical loads in their networks; thus, the level of proactive preparation of the distribution system to be able to handle severe impacts of extreme weather events represents the system's resilience. One method that distribution system planners can use to prepare for future extreme events is to plan multiple microgrids which can use local generation as much as possible to supply critical loads. But partitioning an existing distribution system such that multiple feasible islands are planned and which are capable of supporting critical loads is still challenging for distribution systems - first, because of the size of the network graph partitioning problem and, second, because of the difficulty in properly formulating the desired attributes of such islands or microgrids. Therefore, this paper presents a genetic algorithm based approach that facilitates incorporating multiple objectives for grid partitioning by formulating two types of problems - node allocation and edge elimination - and it considers multiple topological and resilience-enhancing objectives. The performance of the proposed genetic algorithm-based approach is numerically evaluated on multiple test systems as well as on a real distribution feeder in Colorado, United States.

genetic algorithm↗

DOE OSTI2021

Correlated Double-Electron Additions at the Edge of a Two-Dimensional Electronic System

We create laterally large and low-disorder GaAs quantum-well-based quantum dots that act as small two-dimensional electron systems. We monitor tunneling of single electrons to the dots by means of capacitance measurements and identify single-electron capacitance peaks in the addition spectrum from occupancies of one up to thousands of electrons. The data show two remarkable phenomena in the Landau level filling factor range ν = 2 to ν = 5 in selective probing of the edge states of the dot: (i) Coulomb blockade peaks arise from the entrance of two electrons rather than one; (ii) at and near ν = 5/2 and at fixed gate voltage, these double-height peaks appear uniformly in a magnetic field with a flux periodicity of h/2e, but they group into pairs at other filling factors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

The role of Ca-bridged organic matter in an alkaline soil, as revealed by multimodal chemical imaging

Mineral–organic matter (OM) studies have predominantly focused on acidic soils that are abundant in iron (Fe) oxides and aluminum (Al) oxides. We have probed mineral–OM interactions in an alkaline or calcareous soil of the Aridisols class. Unlike the role of Fe and Al, the role of Ca-minerals (particularly calcite), which are ubiquitous in alkaline soils, in OM sequestration is not well understood. Multiple recent model studies with aqueous Ca2+ or synthetic calcite and a suite of OM compounds have shown Ca-OM assemblages to be spatially correlated with calcite at the microscale. To study the chemical state of both Ca and Fe and their competing role in soil organic matter (SOM) stabilization, we performed laboratory characterization using x-ray diffraction, Mössbauer spectroscopy, x-ray photoelectron spectroscopy, scanning electron microscopy, and scanning transmission electron microscopy, alongside synchrotron-based microscale chemical imaging using scanning transmission x-ray microscopy combined with near-edge x-ray absorption fine structure. Ca mineral–organic associations were found to be ubiquitous in this system and are likely critical for understanding SOM stabilization/degradation in alkaline soils. From our findings on mineralogy, speciation, and the nature of Ca-OM bridging, we identified differences in C and Ca chemistry based on the relative location of OM to Ca minerals. The OM near the calcite crystal was enriched in lipid and protein moieties, Ca-OM next to Fe minerals displayed a strong contribution from aromatic compounds, while on the surface of microbes, the carbonate was believed to be of microbial in origin, as also suggested by preliminary works reporting on the formation of amorphous calcite or nano-calcite. In Ca-OM admixed with carbonate, it was difficult to distinguish Ca-associated OM from amorphous calcite or nano-calcite.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

IMoFi (Intelligent Model Fidelity): Physics-Based Data-Driven Grid Modeling to Accelerate Accurate PV Integration Updated Accomplishments

This report summarizes the work performed under a project funded by U.S. DOE Solar Energy Technologies Office (SETO), including some updates from the previous report SAND2022-0215, to use grid edge measurements to calibrate distribution system models for improved planning and grid integration of solar PV. Several physics-based data-driven algorithms are developed to identify inaccuracies in models and to bring increased visibility into distribution system planning. This includes phase identification, secondary system topology and parameter estimation, meter-to-transformer pairing, medium-voltage reconfiguration detection, determination of regulator and capacitor settings, PV system detection, PV parameter and setting estimation, PV dynamic models, and improved load modeling. Each of the algorithms is tested using simulation data and demonstrated on real feeders with our utility partners. The final algorithms demonstrate the potential for future planning and operations of the electric power grid to be more automated and data-driven, with more granularity, higher accuracy, and more comprehensive visibility into the system.

14 SOLAR ENERGY↗

DOE OSTI2018

Topological circuits of inductors and capacitors

Alternating current (ac) circuits can have electromagnetic edge modes protected by symmetries, analogous to topological band insulators or semimetals. How to make such a topological circuit? This paper illustrates a particular design idea by analyzing a series of topological circuits consisting purely of inductors (L) and capacitors (C) connected to each other by wires to form periodic lattices. All the examples are treated using a unifying approach based on Lagrangians and the dynamical H-matrix. First, the building blocks and permutation wiring are introduced using simple circuits in one dimension, the SSH transmission line and a braided ladder analogous to the ice-tray model also known as the π-flux ladder. Then, more general building blocks (loops and stars) and wiring schemes (m-shifts) are introduced. The key concepts of emergent pseudo-spin degrees of freedom and synthetic gauge fields are discussed, and the connection to quantum lattice Hamiltonians is clarified. A diagrammatic notation is introduced to simplify the design and presentation of more complicated circuits. These building blocks are then used to construct topological circuits in higher dimensions. The examples include the circuit analog of Haldane’s Chern insulator in two dimensions and quantum Hall insulator in four dimensions featuring finite second Chern numbers. The topological invariants and symmetry protection of the edge modes are discussed based on the H-matrix.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Atomistic simulations of dislocation mobility in refractory high-entropy alloys and the effect of chemical short-range order

Abstract Refractory high-entropy alloys (RHEAs) are designed for high elevated-temperature strength, with both edge and screw dislocations playing an important role for plastic deformation. However, they can also display a significant energetic driving force for chemical short-range ordering (SRO). Here, we investigate mechanisms underlying the mobilities of screw and edge dislocations in the body-centered cubic MoNbTaW RHEA over a wide temperature range using extensive molecular dynamics simulations based on a highly-accurate machine-learning interatomic potential. Further, we specifically evaluate how these mechanisms are affected by the presence of SRO. The mobility of edge dislocations is found to be enhanced by the presence of SRO, whereas the rate of double-kink nucleation in the motion of screw dislocations is reduced, although this influence of SRO appears to be attenuated at increasing temperature. Independent of the presence of SRO, a cross-slip locking mechanism is observed for the motion of screws, which provides for extra strengthening for refractory high-entropy alloy system.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Microbeam X-Ray Absorption Near-Edge Spectroscopy of Alloying Elements in the Oxide Layers of Irradiated Zircaloy-2

Hydrogen pickup of zirconium-based fuel cladding and structural materials during in-reactor corrosion can degrade fuel components because the ingress of hydrogen can lead to the formation of brittle hydrides. In the boiling water reactor (BWR) environment, Zircaloy-2 fuel cladding and structural components such as water rods and channels can experience accelerated hydrogen pickup, whereas Zircaloy-4 components exposed to similar conditions do not. Because the principal difference between the two alloys is that Zircaloy-2 contains nickel, accelerated hydrogen pickup has been hypothesized to result from the presence of nickel. However, an understanding of the mechanism by which this acceleration occurs is still lacking. We investigated the link between hydrogen pickup and the oxidation behavior of alloying elements when incorporated into the oxide layers formed on zirconium alloys when corroded in the reactor. Synchrotron radiation microbeam X-ray absorption near-edge spectroscopy (XANES) at the Advanced Photon Source was performed on carefully selected BWR-corroded Zircaloy-2 water rods at an assembly-averaged burnup ranging from 32.8 to 74.6 GWd/MTU to determine the oxidation states of alloying elements, such as iron and nickel, within the oxide layers as a function of distance from the oxide-metal interface at high burnup. Samples were chosen for comparison based on having similar oxide thicknesses, processing, elevation, reactors, and fluences but different hydrogen pickup fractions. Examinations of the oxide layers formed on these samples showed that (1) the oxidation states of these alloying elements changed with distance from the oxide-metal interface, (2) these elements exhibited delayed oxidation relative to the host zirconium, and (3) nickel in Zircaloy-2 remained metallic in the oxide layer at a longer distance from the oxide-metal interface than iron. An analysis of these results showed an apparent correlation between the delayed oxidation of nickel and higher hydrogen pickup of Zircaloy-2 at high burnup.

alloying elements↗

DOE OSTI2018

Selection of a two-dimensional image edge using polarisation-independent acousto-optic diffraction

A method for filtering two-dimensional distributions of light-wave spatial frequencies, based on the use of polarisation-independent acousto-optic (AO) Bragg diffraction, is proposed. This method provides a maximally possible transmission bandwidth of spatial frequencies and a minimum size of the resolved AO element. A selection of a two-dimensional edge in the zero Bragg order is demonstrated. The main theoretical conclusions are experimentally confirmed using a paratellurite AO filter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗