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At least 973 records · Page 54

Na ion dynamics in P2-Na x [Ni 1/3 Ti 2/3 ]O 2 : a combination of quasi-elastic neutron scattering and first-principles molecular dynamics study

In this work, the P2-type layered material Na 2/3 [Ni 1/3 Ti 2/3 ]O 2 was studied as a promising bi-functional electrode material for sodium-ion batteries. To assess the electrochemical performance of this material, we investigated the diffusion mechanism as well as ionic and electronic conductivity with a combination of experimental and computational techniques. The quasi-elastic neutron scattering (QENS) experiments and first-principles molecular dynamics (FPMD) simulations were performed to identify the diffusion mechanism. The QENS data showed that Na ion diffusion can be well described by the Singwi–Sjölander jump diffusion model, where the obtained mean jump length matched the distances between the neighboring edge-share and face-share Na sites. FPMD predicted diffusivity values similar to those from QENS. The computed composition dependence of ionic and electronic conductivity of Na x [Ni 1/3 Ti 2/3 ]O 2 suggested that electronic conductivity changes significantly when x deviates from 2/3 as the redox couple of Ni and Ti is activated, while the change of ionic conductivity with x is relatively small.

36 MATERIALS SCIENCE↗

Adaptive Fault Detection Based on Neural Networks and Multiple Sampling Points for Distribution Networks and Microgrids

Smart networks such as microgrid (MG) and active distribution networks (ADN) have been recently playing an important role in power system operation. The design and implementation of appropriate protection systems for such networks must be addressed, which imposes new technical challenges. This paper presents the implementation and validation aspects of an adaptive fault detection strategy based on neural networks (NNs) and multiple sampling points for ADN and MG. The solution is implemented on an edge device. Artificial NNs are used to derive a data-driven model that uses only local measurements to detect fault states of the network without the need for communication infrastructure. Multiple sampling points are used to derive a data-driven model, which allows the generalization considering the implementation in physical systems. The adaptive fault detector model is implemented on a Jetson Nano system, which is a single-board computer (SBC) with a small Graphic Processing Unit (GPU) intended to run machine learning loads at the edge. The proposed method is tested in a physical, real-life, low-voltage network located at Universidad del Norte, Colombia. This testing network is based on the IEEE-13 Node Test Feeder scaled down to 220 V. The validation in a simulation environment shows the accuracy and dependability above 99.6%, while the real-time tests show the accuracy and dependability of 95.5% and 100%, respectively. Without hard-to-derive parameters, the easy-to-implement embedded model highlights the potential for real-life applications.

42 ENGINEERING↗

Development of a realistic stress analysis for fatigue analysis of notched composite laminates

A finite element stress analysis which consists of a membrane and interlaminar shear spring analysis was developed. This approach was utilized in order to model physically realistic failure mechanisms while maintaining a high degree of computational economy. The accuracy of the stress analysis predictions is verified through comparisons with other solutions to the composite laminate edge effect problem. The stress analysis model was incorporated into an existing fatigue analysis methodology and the entire procedure computerized. A fatigue analysis is performed upon a square laminated composite plate with a circular central hole. A complete description and users guide for the computer code FLAC (Fatigue of Laminated Composites) is included as an appendix.

Humphreys, E. A.↗

On numerically accurate finite element

A general criterion for testing a mesh with topologically similar repeat units is given, and the analysis shows that only a few conventional element types and arrangements are, or can be made suitable for computations in the fully plastic range. Further, a new variational principle, which can easily and simply be incorporated into an existing finite element program, is presented. This allows accurate computations to be made even for element designs that would not normally be suitable. Numerical results are given for three plane strain problems, namely pure bending of a beam, a thick-walled tube under pressure, and a deep double edge cracked tensile specimen. The effects of various element designs and of the new variational procedure are illustrated. Elastic-plastic computation at finite strain are discussed.

Nagtegaal, J. C.↗

Simulation of the Impact of Point Defects and Edge Dislocations on X-Ray Diffraction in Hexagonal (Ni,Co) 1+2 x Ti 1– x O 3 Thin Films

In this work, a computer code for simulating high-resolution X-ray diffraction (XRD) data from disordered crystals with arbitrary spatial composition and local lattice parameters is developed. Simulated patterns are compared with the experimental data collected on a single phase, highly crystalline (Ni 0.42 Co 0.58 ) 2.22 Ti 0.39 O 3 solid-solution thin film exhibiting a large number of subsidiary minima. As a case study, the edge dislocations in hexagonal (Ni,Co) 3 O 3 thin films with Burgers vector parallel and perpendicular to the a-axis and c-axis, respectively, are modeled. No peak profiles are assumed and thus issues related to profile fitting are avoided. Both macroscopic features, such as film thickness, and atomic-scale structure, such as dislocations, are simultaneously modeled. Simulations are run on a desktop machine. Commonly applied database-based phase identification routines can result in wrong phase identification, unless intensities are properly modeled. Modeling tools of diffractometer manufacturers are compared with the present approach. An example of how simulated reciprocal lattice patterns can be used to choose relevant measurement geometries in defected thin films is given.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

An Euler aerodynamic method for leading-edge vortex flow simulation

The current capabilities and the future plans for a three dimensional Euler Aerodynamic Method are described. The basic solution algorithm is based on the finite volume, Runge-Kutta pseudo-time-stepping scheme of FLO-57. Several modifications to improve accuracy and computational efficiency were incorporated and others are being investigated. The computer code is used to analyze a cropped delta wing at 0.6 Mach number and an arrow wing at 0.85 Mach number. Computed aerodynamic parameters are compared with experimental data. In all cases, the configuration is impulsively started and no Kutta condition is applied at sharp edges. The results indicate that with additional development and validation, the present method will be a useful tool for engineering analysis of high speed aircraft.

Raj, P.↗

Navier-Stokes flowfield computation of wing/rotor interaction for a tilt rotor aircraft in hover

The download on the wing produced by the rotor-induced downwash of a tilt rotor aircraft in hover is of major concern because of its severe impact on payload-carrying capability. A method has been developed to help gain a better understanding of the fundamental fluid dynamics that causes this download, and to help find ways to reduce it. In particular, the method is employed in this work to analyze the effect of a tangential leading edge circulation-control jet on download reduction. Because of the complexities associated with modeling the complete configuration, this work focuses specifically on the wing/rotor interaction of a tilt rotor aircraft in hover. The three-dimensional, unsteady, thin-layer compressible Navier-Stokes equations are solved using a time-accurate, implicit, finite difference scheme that employs LU-ADI factorization. The rotor is modeled as an actuator disk which imparts both a radical and an azimuthal distribution of pressure rise and swirl to the flowfield. A momentum theory blade element analysis of the rotor is incorporated into the Navier-Stokes solution method. Solution blanking at interior points of the mesh has been shown here to be an effective technique in introducing the effects of the rotor and tangential leading edge jet. Results are presented both for a rotor alone and for wing/rotor interaction. The overall mean characteristics of the rotor flowfield are computed including the flow acceleration through the rotor disk, the axial and swirl velocities in the rotor downwash, and the slipstream contraction. Many of the complex tilt rotor flow features are captured including the highly three-dimensional flow over the wing, the recirculation fountain at the plane of symmetry, wing leading and trailing edge separation, and the large region of separated flow beneath the wing. Mean wing surface pressures compare fairly well with available experimental data, but the time-averaged download/thrust ratio is 20-30 percent higher than the measured value. The discrepancy is due to a combination of factors that are discussed. Leading edge tangential blowing, of constant strength along the wing span, is shown to be effective in reducing download. The jet serves primarily to reduce the pressure on the wing upper surface. The computation clearly shows that, because of the three-dimensionality of the flowfield, optimum blowing would involve a spanwise variation in blowing strength.

Fejtek, Ian G.↗

Pretest Computational Assessment of Boundary Layer Transition in the NASA Juncture Flow Model with an NACA 0015-Based Wing

The first two phases of the NASA Juncture Flow experiment were carried out on a DLR-F6 swept-wing model and were designed to provide “CFD validation-quality” data toward the assessment and improvement of existing CFD turbulence models in predicting onset and extent of three-dimensional separated flow near the wing-juncture trailing-edge region. The next phase of experiments will involve an NACA 0015-based swept wing, as prior risk reduction experiments had indicated that this wing shape resulted in reduced separation near the juncture region than the DLR-F6 wing, thus providing a better option to evaluate the ability of CFD models to predict incipient turbulent separation. The NACA 0015 measurements will also include IR thermography to infer the variation of transition front with respect to an increasing angle of attack. The primary objective of this work is to computationally make a preliminary assessment of the transition front on both surfaces of the NACA 0015 wing at a crank-chord-based Reynolds number of 2.4 x 106 for four different angles of attack, (0°, 2.5°, 5°, and 7.5°) and to determine the dominant mechanisms responsible for transition. This assessment includes both RANS-based transition models from NASA’s OVERFLOW 2.3b flow solver and linear parabolized stability equations (PSE) stability analysis based on the Langley Stability and Transition Analysis code, LASTRAC. Linear PSE results indicate that the upper surface of the wing is dominated by Tollmien- Schlichting (TS) instabilities, and that the laminar flow region shrinks from about 50% chord to a very small region just downstream of the attachment line as the angle of attack is increased from 0° to 7.5°. Consequently, the transition fronts predicted by the Spalart- Allmaras-based amplification factor transport (AFT-2017b) equation model (which accounts for the TS instabilities alone) and the Menter’s shear-stress transport equation (SST2003)- based Langtry-Menter transition model with ability to account for both TS and crossflow effects (LM2015) compare well with those predicted using linear PSE. On the lower surface of the wing, stationary crossflow (CF) instabilities begin to appear on the inboard portion of the wing in addition to the TS-instabilities for the larger angles of attack (5° and 7.5°), further reducing the laminar flow extent within the inboard region. The LM2015 model that accounts for CF effects is able to replicate this trend but appears to predict a slightly earlier transition. The outcome of this effort will inform the experiment and, when the actual experimental data become available, provide further opportunity to assess and improve the various transition models.

CFD modeling↗

The measurement of boundary layers on a compressor blade in cascade. Volume 1: Experimental technique, analysis and results

Measurements were made of the boundary layers and wakes about a highly loaded, double-circular-arc compressor blade in cascade. These laser Doppler velocimetry measurements have yielded a very detailed and precise data base with which to test the application of viscous computational codes to turbomachinery. In order to test the computational codes at off-design conditions, the data were acquired at a chord Reynolds number of 500,000 and at three incidence angles. Moreover, these measurements have supplied some physical insight into these very complex flows. Although some natural transition is evident, laminar boundary layers usually detach and subsequently reattach as either fully or intermittently turbulent boundary layers. These transitional separation bubbles play an important role in the development of most of the boundary layers and wakes measured in this cascade and the modeling or computing of these bubbles should prove to be the key aspect in computing the entire cascade flow field. In addition, the nonequilibrium turbulent boundary layers on these highly loaded blades always have some region of separation near the trailing edge of the suction surface. These separated flows, as well as the subsequent near wakes, show no similarity and should prove to be a challenging test for the viscous computational codes.

Zierke, William C.↗

Application of the ENS3DAE Euler/Navier-Stokes Aeroelastic method

This paper discusses recent applications of the ENS3DAE computational aeroelasticity method. In particular, it describes aeroelastic and unsteady aerodynamics calculations performed on wings with trailing edge control surfaces. These simulations include the investigation of control reversal for a structurally flexible wing with a deflected control surface, and a static and dynamic analysis of a rigid wing with an oscillating control surface. The two sets of calculations were performed independently on different wings using different grid topologies. The control reversal simulation represents an inviscid Euler static aeroelastic analysis of a thin wing with a rectangular planform. The geometry of this wing makes it suitable for computations using more approximate, inviscid aerodynamics methods. Thus, the results of the present Euler computations are compared with numerical data generated by a validated computational aeroelasticity code which uses a simpler aerodynamic formulation. The second illustrated case involves the simulation of a significantly more complex flowfield and the static and dynamic analyses of this geometry were performed using the viscous Navier-Stokes equation option in ENS3DAE. Results of both the steady and unsteady calculations on this wing are compared with existing experimental data.

Schuster, David M.↗

Index Theorems, Generalized Hall Currents, and Topology for Gapless Defect Fermions

In this work, we show how the index of the fermion operator from the Euclidean action can be used to uncover the existence of gapless modes living on defects (such as edges and vortices) in topological insulators and superconductors. The 1-loop Feynman diagram that computes the index reveals an analog of the quantum Hall current flowing on and off the defect—even in systems without conserved currents or chiral anomalies—and makes explicit the interplay between topology in momentum and coordinate space. We provide several explicit examples.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Hyperparameter Optimization and Feature Inclusion in Graph Neural Networks for Spiking Implementation

Graph convolutional networks leverage both graph structures and features on nodes and edges for improved learning performance in comparison with classical machine learning approaches. Spiking neuromorphic computers natively implement network-like computation and have been shown to be successful at implementing graph learning without features. Incorporating graph features brings the challenge of efficient feature representation and balancing the contribution of topology and features in learning. In this work, we present our design of a simulated network of spiking neurons to perform semi-supervised learning on graph data using both the graph structure and the node features. We explore various design choices, present preliminary results, and discuss the opportunities for using neuromorphic computers for this task in the future.

Cong, Guojing↗

Electric Distribution System Planning with DERs - High-level Assessment of Tools and Methods

This document addresses analytical tools and methods to support electric distribution system planning with distributed energy resources (DERs) and grid modernization, drawing on leading-edge research and examples from around the United States. In this report, tools include computer models and software, as well as other analytical aids and practices that support distribution system planning. At its core, distribution system planning is about supporting investment decisions. Enhanced and integrated distribution system planning allows utilities to move from a passive reactive role to smart proactive planning with respect to DERs. Distribution system planning can increase transparency around utility distribution system investments before they are brought to the regulatory body for cost recovery, can support deferring traditional infrastructure investments, and can provide information and incentives to customers and third parties about where DERs can help the grid. A growing number of states are beginning to consider a comprehensive distribution system planning process that addresses the costs and benefits of DERs, reflects more choices coming from the customer/third-party domains, is integrated with resource and transmission planning, and incorporates planning scenarios that reflect the dynamic and changing nature of the electricity system

24 POWER TRANSMISSION AND DISTRIBUTION↗

Cathodic Protection Modeling for Hanford Underground Double-Shell Tank Farms

Hanford stores millions of gallons of radioactive and chemically hazardous waste from the production of weapon materials in tank farms consisting of underground carbon-steel storage tanks surrounded by reinforced concrete. Six of these Hanford tank farms use double-shell storage tanks (DSTs). The DST farms were constructed from 1968 to 1986 with a planned 40–50 year design life, so some are already operating beyond their initial life expectancy. Ultrasonic testing (UT) has indicated significant thinning on the bottom of the secondary (outer) liner of these tanks, believed to arise from groundwater intrusion driving concrete side corrosion. There is no direct access to the steel/concrete interface between the tank and the concrete pad, making it difficult to apply a chemical-based mitigation strategy or to conduct repairs, but cathodic protection (CP) is a possible method to inhibit further concrete-side corrosion. Hanford already uses CP to protect below grade steel piping within the tank farms and connected to the tanks, but this system was not designed to protect the tank bottoms. CP design must account for the structures surrounding the DSTs, including the steel reinforcing bars (rebar) within the concrete pad and vault, various process lines, and the existing CP system. In this study, finite element analysis (FEA) modeling was carried out to simulate CP protection of 1) a single tank and CP anode to develop options for modeling the rebar and to compare to a simpler circuit model and 2) the entire Hanford AN tank farm as a representative example consisting of seven tanks, associated piping, and both existing and new CP anodes. Both circuit and FEA models predict that significant protective current could be delivered to the bottoms of the tanks with the addition of tank-protection anodes below the depth of the tanks. Simulations with only the existing pipe-protection anodes active confirmed that only a very small current to the tank bottoms is predicted under present conditions. Multiple simplified representations of the dome and wall rebar were tested to reduce the computational complexity of the tank-farm simulations, resulting in modeling the rebar as edge elements with a prescribed effective circumference that matches the real rebar surface area. The geometry of the rebar is also simplified into horizontal hoops around the tank walls and radial rebar over the dome with increased effective circumference to retain the target surface area. This simplification was found to greatly reduce the complexity and solution time of the models without large changes in current distributions, especially to the tank bottom. A range of values were tested for model parameters such as soil and concrete resistivities and polarization resistance to investigate their impact on the current and electric potential distributions. Depending on the parameters used, FEA simulations predict some risk of overprotection, particularly on the piping system; since overprotection can also lead to surface damage associated with hydrogen gas generation at the interface (e.g. hydrogen embrittlement or damage to coatings), this needs to be considered when refining the design of the new CP system. Comparison between the FEA models and the circuit model representation demonstrated that the circuit model could not match the predicted FEA current distribution, even when using the exact same surface areas. This discrepancy appeared to be at least partly attributable to the impact of the relative positions of the tank components and anodes to each other and to the ground surface. The FEA model accounts for the relative positions since it solves the governing equations in three dimensions, but the circuit model cannot account for the positioning. In particular, the circuit model underpredicts the current to the tank bottom and overpredicts the current to the dome compared to FEA for the baseline geometry. The FEA models omitted the electrically isolated rebar in the bottom concrete slab. However, a circuit based stray current model estimated that only 2.1% of the total current through the slab would stray into the rebar, corresponding to ~0.21 A for a target current density of 2 mA/ft2 to the tank bottom. The estimated corrosion driven by this amount of stray current is predicted to yield a lifetime of >400 years for the minimum rebar diameter, assuming an acceptable cross-section area loss of 10%.

d'Entremont, Anna [Savannah River National Laborat↗

Plane elastostatic analysis of V-notched plates.

Solutions are given for several plane elastostatic problems of plates having a V-notch on one edge, and subjected to a variety of boundary conditions. The effect of the magnitude of the V-notch angle and specimen geometry on stress intensity factors KI and KII are obtained for unloaded notch surfaces. There is less than one per cent difference in opening model stress intensity factor in going from a zero degree notch angle to a 30 degree notch angle. Notch opening displacements at the plate edge were measured experimentally, and the results obtained were in excellent agreement with the computed results.

Gross, B.↗

Analysis of edge impact stresses in composite plates

The in-plane edge impact of composite plates, with or without a protection strip, is investigated. A computational analysis based on the Fast Fourier Transform technique is presented. The particular application of the present method is in the understanding of the foreign object damage problem of composite fan blades. The method is completely general and may be applied to the study of other stress wave propagation problems in a half space. Results indicate that for the protective strip to be effective in reducing impact stresses in the composite the thickness must be equal or greater than the impact contact dimension. Large interface shear stresses at the strip - composite boundary can be induced under impact.

Moon, F. C.↗