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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

A novel partitioning method for block-structured adaptive meshes

We propose a novel partitioning method for block-structured adaptive meshes utilizing the meshless Lagrangian particle concept. With the observation that an optimum partitioning has high analogy to the relaxation of a multi-phase fluid to steady state, physically motivated model equations are developed to characterize the background mesh topology and are solved by multi-phase smoothed-particle hydrodynamics. In contrast to well established partitioning approaches, all optimization objectives are implicitly incorporated and achieved during the particle relaxation to stationary state. Distinct partitioning sub-domains are represented by colored particles and separated by a sharp interface with a surface tension model. In order to obtain the particle relaxation, special viscous and skin friction models, coupled with a tailored time integration algorithm are proposed. Numerical experiments show that the present method has several important properties: generation of approximately equal-sized partitions without dependence on the mesh-element type, optimized interface communication between distinct partitioning sub-domains, continuous domain decomposition which is physically localized and implicitly incremental. Therefore it is particularly suitable for load-balancing of high-performance CFD simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Investigation of super-capacitive nature of reduced graphene oxide nano mesh grown over 18 k gold foil using wings of Parides iphidamas as biological template

Highlights: • Novel rGO nano mesh (rGONM) like assembly was fabricated using bio-template method. • rGONM pattern exhibit nano-ridges (40 nm) and ribs (25 nm) resembling fishing net. • Super-capacitor performances of rGO and rGONM coated Au substrates were evaluated. • rGO-Au and rGONM-Au revealed specific capacitances of 291 and 418 F/g respectively. - Abstract: This paper deals with the fabrication of novel, reduced graphene oxide nano mesh (rGONM) patterns with longitudinal nano-ridges and transverse nano-ribs using nano tubular structures found on the scales of Parides iphidamas, a butterfly species as biological template. Raman spectra, EDAX and FTIR results confirm the obtained mesh-like morphology that comprises only reduced graphene oxide (rGO). Further, super-capacitor performances of rGO and rGONM-coated gold substrates have been evaluated using cyclic-voltammetry (CV), galvanostatic charge-discharge cycle (GCD) and electrochemical impedance spectroscopic (EIS) analysis. A characteristic rectangular curve obtained from the CV of rGO and rGONM-coated gold electrodes display specific capacitances of 291 F/g and 418 F/g respectively at a scan rate of 5 mV/s. The results obtained from EIS support the superior nature of rGONM-coated electrode against rGO system, suggesting the use of rGONM-Au as a potential candidate for electrochemical super capacitor applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Cost-effective fabrication of ZnO/g-C3N4 composite film coated stainless steel meshes for visible light responsive photocatalysis

Highlights: • First report on the photocatalytic efficacy of ZnO/g-C{sub 3}N{sub 4} composite thin film coated stainless steel mesh. • A homemade automated tubular nebulizer spray pyrolysis technique is used to deposit the samples. • All supplementary studies (SEM, XPS, FTIR and PL) support the enhancement photocatalytic activity. - Abstract: The ZnO and ZnO/g-C{sub 3}N{sub 4} composite films were deposited on stainless steel meshes having different apertures (370, 500, 780 and 1000 μm) using a simple cost-effective automated tubular nebulizer spray pyrolysis technique for photocatalytic degradation of organic pollutants. Photocatalytic studies were done for the degradation of methylene blue (MB) and malachite green (MG). The photocatalytic studies reveal that the ZnO/g-C{sub 3}N{sub 4} composite film having smallest aperture exhibits superior photocatalytic activity compared with other meshes. The degradation efficiency of this composite film for MB and MG dyes are 97% (irradiation time-75 min) and 95% (irradiation time-45 min), whereas for pristine ZnO film the corresponding efficiencies are only 88% and 87%. The aperture size related photocatalytic efficiency variations and the effect of g-C{sub 3}N{sub 4} addition on the photocatalytic efficiency of ZnO films have been addressed with appropriate supporting experimental evidences and reports.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Geometric electrostatic particle-in-cell algorithm on unstructured meshes

We present a geometric particle-in-cell (PIC) algorithm on unstructured meshes for studying electrostatic perturbations with frequency lower than electron gyrofrequency in magnetized plasmas. In this method, ions are treated as fully kinetic particles and electrons are described by the adiabatic response. The PIC method is derived from a discrete variational principle on unstructured meshes. To preserve the geometric structure of the system, the discrete variational principle requires that the electric field is interpolated using Whitney 1-forms, the charge is deposited using Whitney 0-forms and the electric field is computed by discrete exterior calculus. The algorithm has been applied to study the ion Bernstein wave (IBW) in two-dimensional magnetized plasmas. The simulated dispersion relations of the IBW in a rectangular region agree well with theoretical results. In a two-dimensional circular region with fixed boundary condition, the spectrum and eigenmode structures of the IBW are obtained from simulations. We compare the energy conservation property of the geometric PIC algorithm derived from the discrete variational principle with that of previous PIC methods on unstructured meshes. The comparison shows that the new PIC algorithm significantly improves the energy conservation property.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Study of plasma equilibrium in toroidal fusion devices using mesh-free numerical calculation method

Plasma confinement using external magnetic field is one of the successful ways leading to the controlled nuclear fusion. Development and validation of the solution process for plasma equilibrium in the experimental toroidal fusion devices is the main subject of this work. Solution of the nonlinear 2D stationary problem as posed by the Grad-Shafranov equation gives quantitative information about plasma equilibrium inside the vacuum chamber of hot fusion devices. This study suggests solving plasma equilibrium equation which is essential in toroidal nuclear fusion devices, using a mesh-free method in a condition that the plasma boundary is unknown. The Grad-Shafranov equation has been solved numerically by the point interpolation collocation mesh-free method. Important features of this approach include truly mesh free, simple mathematical relationships between points and acceptable precision in comparison with the parametric results. The calculation process has been done by using the regular and irregular nodal distribution and support domains with different points. The relative error between numerical and analytical solution is discussed for several test examples such as small size Damavand tokamak, ITER-like equilibrium, NSTX-like equilibrium, and typical Spheromak.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Memristive devices from ZnO nanowire bundles and meshes

Here, we report two types of memristive devices made of ZnO nanowire assemblies and Ag electrodes: nanowire-bundle and nanowire-mesh memristors. Although constructed with the same materials, these devices exhibit different characteristics. Nanowire-bundle memristors have small On/Off ratios and feature stable hysteresis under X-ray irradiation. Nanowire-mesh memristors show large On/Off ratios and multiple distinct states. We attribute the switching in bundle nanowires to the modification of the Schottky barrier by the mobile Ag ions and the stability of hysteresis to the ability of the bundles to retain Ag in the alleys between nanowires, as confirmed by first-principles calculations and energy dispersive x-ray measurements. For nanowire-mesh memristors, the high On/Off ratio leads us to attribute the switching mechanism to the formation and dissolution of Ag bridges in the nano-gaps at the intersections of nanowires.

42 ENGINEERING↗
DOE OSTI2023

Simulation study of the effects of polymer network dynamics and mesh confinement on the diffusion and structural relaxation of penetrants

The diffusion of small molecular penetrants through polymeric materials represents an important fundamental problem, relevant to the design of materials for applications such as coatings and membranes. Polymer networks hold promise in these applications because dramatic differences in molecular diffusion can result from subtle changes in the network structure. In this paper, we use molecular simulation to understand the role that cross-linked network polymers have in governing the molecular motion of penetrants. By considering the local, activated alpha relaxation time of the penetrant and its long-time diffusive dynamics, we can determine the relative importance of activated glassy dynamics on penetrants at the segmental scale vs entropic mesh confinement on penetrant diffusion. We vary several parameters, such as the cross-linking density, temperature, and penetrant size, to show that cross-links primarily affect molecular diffusion through the modification of the matrix glass transition, with local penetrant hopping at least partially coupled to the segmental relaxation of the polymer network. This coupling is very sensitive to the local activated segmental dynamics of the surrounding matrix, and we also show that penetrant transport is affected by dynamic heterogeneity at low temperatures. To contrast, only at high temperatures and for large penetrants or when the dynamic heterogeneity effect is weak, does the effect of mesh confinement become significant, even though penetrant diffusion more broadly empirically follows similar trends as established models of mesh confinement-based transport.

Chemistry↗
DOE OSTI2023

Mesh and model requirements for capturing deep-stall aerodynamics in low-Mach-number flows

Here, this work presents a comprehensive computational fluid dynamics investigation of the effects of grid resolution and turbulence-model choice for capturing the unsteady three-dimensional aerodynamic performance of NACA 0012 and 0021 airfoils, with specific focus on the deep-stall regime. At high angles of attack (α), wind turbine blades routinely experience vortex-induced vibrations, which can cause significant structural damages. Accurate predictions of post-stall aerodynamics can identify the frequencies at which such vibrations maybe triggered. In this context, the NACA 0012 airfoil simulations are conducted at a chord-based Reynolds number, Re c =2×10 6 , with the k-ω Shear-Stress Transport Reynolds-Averaged Navier-Stokes (RANS) and Improved Delayed Detached Eddy Simulation (IDDES) hybrid RANS-Large Eddy Simulation turbulence models. The effect of mesh resolution both in the wall-normal and spanwise directions is investigated. Only the IDDES model with a minimum spanwise resolution of 24 cells per chord length correctly predicts the aerodynamic forces. Spectral analysis shows the peak primary shedding frequency at α=30°, which signifies the end of the stall region. In the post-stall regime, both lift and drag frequencies drop asymptotically with increasing α. The Strouhal number, based on normalised chord length, remains nearly constant in this region. Based on this study, NACA 0021 airfoil runs are performed with IDDES for Re c =2.7×10 5 and 2.0×10 6 on the finest wall-normal mesh and three spanwise grids. Simulations conducted on the finer spanwise grids demonstrate grid independence and show good agreement with experiments. The effect of varying Rec on the airfoil frequency statistics is investigated. Additionally, comparison studies are presented to investigate the impact of airfoil thickness on the frequency content at Re c =2.0×10 6 . The results from the study provide guidance on the choice of mesh resolution with the IDDES model to accurately capture aerodynamic quantities for complex industrial applications.

17 WIND ENERGY↗
DOE OSTI2024

Proton radiography inversions with source extraction and comparison to mesh methods

In this article, proton radiography is a central diagnostic technique for measuring electromagnetic (EM) fields in high-energy-density, laser-produced plasmas. In this technique, protons traverse the plasma where they accumulate small EM deflections which lead to variations in the proton fluence pattern on a detector. Path-integrated EM fields can then be extracted from the fluence image through an inversion process. In this work, experiments of laser-driven foils were conducted on the OMEGA laser and magnetic field reconstructions were performed using both “fluence-based” techniques and high-fidelity “mesh-based” methods. We implement nonzero boundary conditions into the inversion and show their importance by comparing against mesh measurements. Good agreement between the methods is found only when nonzero boundary conditions are used. We also introduce an approach to determine the unperturbed proton source profile, which is a required input in fluence reconstruction algorithms. In this approach, a fluence inversion is embedded inside of a mesh region, which provides overconstrained magnetic boundary conditions. A source profile is then iteratively optimized to satisfy the boundary information. This method substantially enhances the accuracy in recovering EM fields. Lastly, we propose a scheme to quantify uncertainty in the final inversion that is introduced through errors in the source retrieval.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Robust Solution Verification Experiments on Nonuniform Meshes

The activities of verification, validation, and uncertainty quantification (VVUQ) provide a comprehensive means to assess the credibility of computational models. Within VVUQ, solution verification assesses numerical errors and evaluates whether the simulation is sufficiently accurate for its intended applications. As computational modeling gains traction in the development of complex, high-consequence systems, the need for robust solution verification intensifies, particularly because experimental data for these systems are often limited. This work examines improvements in the robustness of Richardson extrapolation (RE), a method commonly used in solution verification to study the discretization error of computational models using a power law. Nonuniform mesh refinement is discussed alongside other pollutants that affect the robustness of the power law model. Maximum likelihood estimation (MLE) is proposed as a robust strategy to address the uncertainty generated by nonuniform mesh refinement. An exploratory computational fluid dynamics (CFD) study of a 2D planar Poiseuille flow is conducted to determine if nonuniform mesh noise can be modeled with this MLE approach for more robust RE.

Weinmeister, Justin [ORNL] (ORCID:0000000160090237↗
DOE OSTI2022

Fault Diagnosis of Double Pitch Time-Sharing Meshing Toothed Conveyor Chain Transmission System Based on Neural Network

With the rapid development of industry, the production and demand of automobiles have increased significantly. The generation of cars often requires tens of thousands of processes, consisting of hundreds of assembly lines to complete. Chain conveyors are widely used in the transportation of automobile assembly lines. The existing conveyor chains are roller chains. With the improvement of the requirements for conveyor reliability, synchronization, and environmental friendliness, the characteristics of roller conveyor chains restrict the further development of chain conveyors. It is urgent to study a new conveyor chain system to improve the synchronization, reliability, and environmental friendliness of chain conveyors on hundreds of assembly lines. In this paper, the mathematical modeling, meshing analysis, reliability, and environmental friendliness of the parameters of the components of the double pitch time-sharing meshing toothed conveyor chain system are studied. In addition, a novel fault diagnosis method of double pitch time-sharing meshing toothed conveyor chain transmission system based on neural network model is proposed in this paper.

Ding, Song↗
DOE OSTI2023

Graph Learning in Physical-informed Mesh-reduced Space for Real-world Dynamic Systems

This Git repository contains codes for the 'Graph Learning in Physical-informed Mesh-reduced Space for Real-world Dynamic Systems' paper that will be published in 2023 SIGKDD. This work uses physical-informed prior (PiP) information to learn and predict fluid dynamics in a reduced mesh space. We propose a two-stage graph-based model for fluid velocity field reconstruction and prediction. In the first stage, we learn a subgraph autoencoder to summarize the information in a mesh-reduced space using physical-informed priors. In the second stage, we learn a dynamics predictor to predict subgraph evolution. We demonstrate the effectiveness of our model on two fluid flow datasets: lid-driven cavity flow data and cylinder flow data. This code is also applicable for any other dynamic systems with corresponding data.

Lei, Bo↗
DOE OSTI2021

AMReX: Block-structured adaptive mesh refinement for multiphysics applications

Block-structured adaptive mesh refinement (AMR) provides the basis for the temporal and spatial discretization strategy for a number of Exascale Computing Project applications in the areas of accelerator design, additive manufacturing, astrophysics, combustion, cosmology, multiphase flow, and wind plant modeling. AMReX is a software framework that provides a unified infrastructure with the functionality needed for these and other AMR applications to be able to effectively and efficiently utilize machines from laptops to exascale architectures. AMR reduces the computational cost and memory footprint compared to a uniform mesh while preserving accurate descriptions of different physical processes in complex multiphysics algorithms. AMReX supports algorithms that solve systems of partial differential equations in simple or complex geometries and those that use particles and/or particle–mesh operations to represent component physical processes. In this article, we will discuss the core elements of the AMReX framework such as data containers and iterators as well as several specialized operations to meet the needs of the application projects. In addition, we will highlight the strategy that the AMReX team is pursuing to achieve highly performant code across a range of accelerator-based architectures for a variety of different applications.

Zhang, Weiqun↗
DOE OSTI2018

Efficient three-dimensional Laplace-Fourier domain acoustic-wave simulations using discontinuous finite-difference meshes with embedded boundaries

© 2018 SEG. We develop embedded boundary and discontinuous mesh methods to handle arbirarily shaped topography and accurately simulate acoustic seismic wave propagation in Laplace-Fourier domain. The purpose of the embedded boundary method is to enhance accurate wave simulation near the surface and the discontinuous mesh method is used to achieve considerable savings in both computation time and memory savings relative to fixed mesh schemes.

AlSalem, Hussain↗
DOE OSTI2016

Verification Test of the SURF and SURFplus Models in xRage: Part III Affect of Mesh Alignment

The previous studies used an underdriven detonation wave in 1-dimension (steady ZND reaction zone profile followed by a scale-invariant rarefaction wave) for PBX 9502 as a verification test of the implementation of the SURF and SURFplus models in the xRage code. Since the SURF rate is a function of the lead shock pressure, the question arises as to the effect on accuracy of variations in the detected shock pressure due to the alignment of the shock front with the mesh. To study the effect of mesh alignment we simulate a cylindrically diverging detonation wave using a planar 2-D mesh. The leading issue is the magnitude of azimuthal asymmetries in the numerical solution. The 2-D test case does not have an exact analytic solution. To quantify the accuracy, the 2-D solution along rays through the origin are compared to a highly resolved 1-D simulation in cylindrical geometry.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Shear Alignment of Diblock Copolymers for Patterning Nanowire Meshes

Metallic nanowire meshes are useful as cheap, flexible alternatives to indium tin oxide – an expensive, brittle material used in transparent conductive electrodes. We have fabricated nanowire meshes over areas up to 2.5 cm 2 by: 1) mechanically aligning parallel rows of diblock copolymer (diBCP) microdomains; 2) selectively infiltrating those domains with metallic ions; 3) etching away the diBCP template; 4) sintering to reduce ions to metal nanowires; and, 5) repeating steps 1 – 4 on the same sample at a 90° offset. We aligned parallel rows of polystyrene-b-poly(2-vinylpyridine) [PS(48.5 kDa)-b-P2VP(14.5 kDa)] microdomains by heating above its glass transition temperature (T g ≈ 100°C), applying mechanical shear pressure (33 kPa) and normal force (13.7 N), and cooling below T g . DiBCP samples were submerged in aqueous solutions of metallic ions (15 – 40 mM ions; 0.1 – 0.5 M HCl) for 30 – 90 minutes, which coordinate to nitrogen in P2VP. Subsequent ozone-etching and sintering steps yielded parallel nanowires. We aimed to optimize alignment parameters (e.g. shear and normal pressures, alignment duration, and PDMS thickness) to improve the quality, reproducibility, and scalability of meshes. We also investigated metals other than Pt and Au that may be patterned using this technique (Cu, Ag).

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

An Angular Method with Position Control for Block Mesh Squareness Improvement

We optimize a target function de ned by angular properties with a position control term for a basic stencil with a block-structured mesh, to improve element squareness in 2D and 3D. Comparison with the condition number method shows that besides a similar mesh quality regarding orthogonality can be achieved as the former does, the new method converges faster and provides a more uniform global mesh spacing in our numerical tests.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Finite Element in Angle Unit Sphere Meshing for Charged Particle Transport.

Finite element in angle formulations of the charged particle transport equation require the discretization of the unit sphere. In Sceptre, a three-dimensional surface mesh of a sphere is transformed into a two-dimensional mesh. Projection of a sphere onto a two-dimensional surface is well studied with map makers spending the last few centuries attempting to create maps that preserve proportion and area. Using these techniques, various meshing schemes for the unit sphere were investigated.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗