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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A weighted Shifted Boundary Method for free surface flow problems

The Shifted Boundary Method (SBM) belongs to the class of unfitted (or immersed, or embedded) finite element methods and was recently introduced for the Poisson, linear advection/diffusion, Stokes, Navier-Stokes, acoustics, and shallow-water equations. By reformulating the original boundary value problem over a surrogate (approximate) computational domain, the SBM avoids integration over cut cells and the associated problematic issues regarding numerical stability and matrix conditioning. Accuracy is maintained by modifying the original boundary conditions using Taylor expansions. Hence the name of the method, that shifts the location and values of the boundary conditions. In this article, we extend the SBM to the simulation of incompressible Navier-Stokes flows with moving free-surfaces, by appropriately weighting its variational form with the elemental volume fraction of active fluid. This approach prevents spurious pressure oscillations in time, which would otherwise be produced if the total active fluid volume were to change abruptly over a time step. In fact, the proposed weighted SBM method induces small mass (i.e., volume) conservation errors, which converge quadratically in the case of piecewise-linear finite element interpolations, as the grid is refined. Finally, we present an extensive set of two- and three-dimensional tests to demonstrate the robustness and accuracy of the method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Context-Aware Learning for Inverse Design in Photovoltaics

This document describes progress in the ARPA-E DIFFERENTIATE project titled “Context-Aware Learning for Inverse Design in Photovoltaics” during the period of May 2019 to May 2022. This project is being performed at Iowa State University, New York University, Stanford University, and National Renewable Energy Laboratory. The project aims to develop a new machine learning (ML) framework to significantly accelerate the design of organic microstructures for improved organic photovoltaic performance. In this project, we had developed an inverse design framework using Deep Learning called InvNets for generating microstructures with desired physics-driven properties. As a preliminary product, in Milestone 3, we demonstrated how InvNets show 20% improvement in the performance of the microstructures and over 100X speedup in the performance compared to traditional processes for physics-driven inverse design. Later, in Milestone 6, we demonstrated that InvNets work for more complex physics properties, specifically, generating microstructures for organic photovoltaic cells with desired current-voltage characteristics. Further, in Milestone 4, we explored the idea of using physics-aware surrogates for obtaining solutions of partial differential equations(PDE) called as DiffNets(now called as NeuFENets to avoid ambiguity of names). The connection between both frameworks is that DiffNet surrogates form the physics-aware surrogate in the InvNet framework. Finally in Milestone 8, we extend our framework for other physics domains. Specifically, we explore building geometry-aware NeuFENets by developing physics surrogates that exploit ideas from traditional immersed boundary finite element methods. With these updates, we are able to achieve all the Milestones.

36 MATERIALS SCIENCE↗
DOE OSTI2022

An immersed interface method for the 2D vorticity-velocity Navier-Stokes equations with multiple bodies

We present an immersed interface method for the vorticity-velocity form of the 2D Navier Stokes equations that directly addresses challenges posed by nonconvex immersed bodies, multiply connected domains, and the calculation of force distributions on immersed surfaces. The immersed interface method is re-interpreted as a polynomial extrapolation of flow quantities and boundary conditions into the immersed solid bodies, reducing computational cost and enabling simulations with nonconvex bodies that could not be discretized with previous immersed interface methods. In the flow, the vorticity transport equation is discretized using a conservative finite difference scheme and explicit Runge-Kutta time integration. The velocity reconstruction problem is transformed to a scalar Poisson equation that is discretized with conservative finite differences, and solved using an FFT-accelerated iterative algorithm. The use of conservative differencing throughout leads to exact enforcement of a discrete Kelvin's theorem, allowing for simulations with multiply connected domains and outflow boundaries that have challenged other immersed interface vortex methods. We also explore novel methods for recovering time-dependent pressure distributions on immersed bodies within a vorticity-based method and present a novel control volume formulation for recovering aerodynamic moments from only the vorticity and velocity fields. The method achieves second order spatial accuracy and third order temporal accuracy, and is validated on a variety of 2D flows in internal and free-space domains.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Two-phase flow numerical analysis of electrode geometry for alkaline water electrolyzers

Hydrogen is a promising component of a future energy-secure and efficient economy, but its competitiveness depends on reducing production costs. One strategy is to operate alkaline water electrolyzers at higher current densities to increase output. However, this intensifies performance losses due to gas bubble accumulation, which blocks transport pathways and deactivates electrochemically active surfaces. Enhancing bubble evacuation through electrode design is therefore essential. Previous studies have explored various approaches — such as modifying surface morphology, applying sonication or pressure modulation, and introducing surfactants — but these efforts have addressed a limited range of conditions due to the complexity of two-phase flow and electrode geometries. Experiments have also largely been focused on either cell level improvements, which lack the information necessary to isolate each contributing factor, or on modified geometries that are not relevant to practical cell operation. From a modeling perspective, conventional Eulerian multiphase models do not track the complex gas–liquid interfacial dynamics and often neglect surface tension and contact angle effects, reducing their predictive accuracy. To provide insights on the effects of different electrode geometries on the performance of alklaine water electrolyzers this work employs an immersed boundary volume-of-fluid method to simulate bubble behavior in 3D porous electrodes. Multiple base electrode geometries, typically used in practice, with varying porosity are evaluated under a constant surface gas generation rate. Simulation data is analyzed to quantify electrode gas coverage, bubble size dynamics and other relevant metrics. Results show that porosity strongly influences bubble accumulation on electrode surfaces, with higher porosity reducing gas coverage, and its not strictly dependent on the electrode geometry. However, the electrode’s base geometry significantly affects gas accumulation at the separator gap, independent of porosity. A foam electrode geometry resulted in the lowest gas coverage of all electrodes with a median volumetric gas coverage of 11%, but at the cost of a 70% reduction in active area compared with the largest surface area electrode, while gyroid electrodes showed the best trade-off between gas coverage, particularly at the separator surface, and electrochemically active area. In conclusion, the results highlight the need for holistic electrode design strategies.

Alkaline↗
DOE OSTI2023

Unsupervised Learning Based Interaction Force Model for Nonspherical Particles in Incompressible Flows

This project provides a neural network-based interaction force model for gas-solid flows from low to intermediate Reynolds numbers and concentration, which can be linked to MFiX-DEM. We have constructed a database of the interaction force between the irregular-shaped particles using a spherical harmonic method and the fluid phase based on the particle-resolved direct numerical simulation (PR-DNS) with immersed boundary-based gas kinetic scheme. Unsupervised learning method, i.e., variational auto-encoder (VAE) has been applied to extract the primitive shape factors determining the drag force, lifting forces, and torque. The interaction force model has been trained and validated with a simple but effective multi-layer feed-forward neural network: multi-layer perceptron (MLP), which will be concatenated after the encoder of the previously trained VAE for geometry feature extraction for single, irregular particles. We have trained transpose convolutional neural networks with the PR-DNS data to predict the velocity and pressure gradient of the single particle systems and utilized them to calculate drag force of multi-particle systems. This model can provide high computational efficiency because it does not require collecting multiparticle system data from PR-DNS.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2023

Revisiting the empirical particle-fluid coupling model used in DEM-CFD by high-resolution DEM-LBM-IMB simulations: A 2D perspective

The work investigates the applicability of the unresolved Computational Fluid Dynamics and Discrete Element Method (CFDDEM) technique based on empirical equations for fluid-particle coupling. We first carry out a series of representative volume element simulations using the high-resolution particle-resolved Lattice Boltzmann method and Discrete Element Method (LBMDEM) coupled by an Immersed Moving Boundary (IMB) scheme. Then, we compare the results obtained by both LBMDEM and empirical equations used in unresolved CFDDEM with analytical solutions. It is found that the existing empirical equations used in solving fluid-particle interactions in 2D CFDDEM fail to accurately calculate the hydrodynamic force applied to solid particles. The underlying reason is that the existing empirical models are obtained based on 3D experimental results and thus are not applicable to 2D problems. Based on the simulation results, a new drag coefficient model is then proposed. The estimated drag forces using the new model are compared favourably with the simulated ones, indicating the good performance of the proposed model.

42 ENGINEERING↗
NASA NTRSDate not supplied

Wall-Modeled LES of a Swept Wing with Leading-Edge Ice Using LAVA Curvilinear, Unstructured, and Cartesian Solvers

Wall-modeled large-eddy simulation (LES) of a swept wing with leading-edge ice build up is performed using three mesh paradigms and associated flow solvers and compared to experimental results. The study focuses on an 8.9% scale model of the CRM65 swept wing featuring both high-fidelity and smooth leading-edge ice shapes. The assessment is conducted using the Launch, Ascent, and Vehicle Aerodynamics (LAVA) framework using the three actively supported meshing paradigms in LAVA: structured curvilinear overset, unstructured, andCartesian. For the iced configurations, these paradigms use hybrid body-fitted/source-term immersed-boundary, body-fitted, and ghost-cell immersed-boundary strategies, respectively.The unstructured and Cartesian mesh paradigms are particularly attractive for complex ice shapes as they avoid the manual mesh generation effort associated with the curvilinear approach. For the high-fidelity ice shape, good agreement with the experiment can be obtained with all three strategies; however, the curvilinear method is particularly sensitive to the source-term immersed-boundary timescale and span wise mesh resolution, and the Cartesian implementation is sensitive to the choice of numerical flux. For the smooth ice, larger discrepancies are observed across all methods. However, a mesh refinement study guided by flow visualizations leads to an improved comparison with the experiment that is particularly pronounced for the unstructured mesh paradigm.

TTT↗
DOE OSTI2021

Computational Fluid Dynamics Using the Adaptive Wavelet-Collocation Method

Advancements to the adaptive wavelet-collocation method over the last decade have opened up a number of new possible areas for active research. Volume penalization techniques allow complex immersed boundary conditions to be used with high efficiency for both internal and external flows. Anisotropic methods make it possible to use body-fitted meshes while still taking advantage of the dynamic adaptability properties wavelet-based methods provide. The parallelization of the approach has made it possible to perform large high-resolution simulations of detonation initiation and fluid instabilities to uncover new physical insights that would otherwise be difficult to discover. Other developments include space-time adaptive methods and nonreflecting boundary conditions. This article summarizes the work performed using the adaptive wavelet-collocation method developed by Vasilyev and coworkers over the past decade.

42 ENGINEERING↗
DOE OSTI2025

Concurrent two-way coupling of global and local models across internal boundaries with non-matching discretizations

Coupling local and global models enables efficient simulation of multiscale systems, where global models capture large-scale behavior and local models, with enhanced physics, resolve finer details over a smaller region. Here, this paper presents a mathematically consistent method for coupling physics-based models of varying fidelity across adjacent, non-overlapping subdomains, even when discretizations do not match at the immersed interdomain interfaces. Incompressible Navier-Stokes equations (NSE) constitute the global model while residual-based turbulence model serves as the local high-fidelity model. In addition, a scalar advection-diffusion equation that models the convection of an active scalar field is appended to the turbulence model in the local domain. This scalar field does not have its complement in the global model, giving rise to unequal number of equations at the immersed boundary between local and global models. Interdomain coupling terms are derived via the Variational Multiscale Discontinuous Galerkin (VMDG) method with new developments in scale representation and efficient fine-scale estimation. While transient laminar flows modeled with NSE in the global domain can be resolved with relatively coarse mesh, turbulent flow calculations in the local model require much finer spatial discretizations as well as smaller time-step for appropriately resolving the turbulent flow physics. The proposed framework also accommodates non-matching meshes at the immersed boundaries. Test problems in 2D and 3D numerically showcase the concurrent two-way coupling of unknown fields across the immersed boundaries. The 3D test presents a case with an unequal number of equations, where the scalar field represents the convection of contaminant concentration. This provides more detailed physics in the local region and highlights its application in climate modeling and atmospheric sciences.

Variational Multiscale Discontinuous Galerkin (VMD↗
DOE OSTI2022

A particle resolved simulation approach for studying shock interactions with moving, colliding solid particles

This work applies a new combination of techniques for the fully resolved simulation of compressible, gas–particle multiphase flows. Here, the adaptive wavelet collocation method is used to dynamically, and efficiently, adapt the computational grid to localized flow features and the particles. A characteristic-based volume penalization method that imposes arbitrary Dirichlet, Neumann, or Robin-type immersed boundary conditions, is used to enforce the no-slip condition at particle surfaces. A hard-sphere collision model is applied to capture the particle–particle collisions. Proof of concept test cases are presented, showcasing the dynamic grid adaptation and fully resolved two-way coupling between the phases that is possible with this approach. Results for a shock-driven single cylinder under viscous and inviscid conditions are presented along with a demonstration of a shock interacting with a cloud of randomly distributed cylinders and spheres.

42 ENGINEERING↗
NASA NTRSDate not supplied

Predicting SLS Launch Environment using a Novel Multiphase Formulation

Powerful acoustic waves generated during ignition of launch vehicles may be dangerous to the vehicle, its payload, or the surrounding structures. The water-based Ignition Overpressure and Sound Suppression (IOP/SS) system at Kennedy Space Center’s (KSC) Launch Complex 39B (LC-39B) will be used to protect the Space Launch System (SLS) from the acoustic vibrations generated during launch. The IOP/SS system uses enormous amounts of water to dampen and attenuate these sound waves. To better understand the launch environment risks and to study the effectiveness of the IOP/SS system it is desirable to have time-accurate unsteady simulations of the vehicle ignition with water-based sound suppression. This paper presents results obtained with a novel, high-order accurate, and robust numerical method designed for simulating compressible multiphase flows. A positivity-preserving finite difference scheme is utilized which is formally high-order accurate and also provably robust. Robustness is critical due to the extreme nature of the flow which exhibits highly nonlinear shock and rarefaction waves interacting with liquid-gas interfaces with density ratios of the order of 1000:1. Furthermore, the high-order accuracy (and the high resolution property) is desirable for predicting wave phenomena like IOP waves since the signal can be resolved accurately and propagated long distances with fewer grid points. This finite-difference method was developed using NASA’s Launch, Ascent, and Vehicle Aerodynamics (LAVA) Cartesian immersed boundary framework. We present a validation case by applying our solver to the SLS Scale Model Acoustic Test (SMAT). The SLS SMAT is a well-instrumented 5% scale model test meant to represent the SLS at NASA KSC’s LC-39B pad. Scale IOP tests were performed with and without the sound suppression water and included many sensors which recorded the pressure waves produced during ignition. For this validation case we conduct two simulations, likewise with and without sound suppression water, and compare the SLS SMAT pressure sensor signals with our numerical signals at identical locations. Following this validation case we present a study of the SLS launch environment to examine engineering safety concerns about the mobile launch pad. Engineers at KSC redesigned the main flame deflector at LC-39B anticipating the increased loads from the SLS and to repair damage from prior Shuttle missions. This deflector redesign made use of surface pressure and temperature data from LAVA full-scale SLS simulations without the sound suppression system. The engineers were questioning the possibility of increased pressure loads on the underside of the mobile launcher due to the water in the flame trench. Based on the results established in our simulations of the SLS SMAT, we performed updated calculations for SLS at LC-39B with and without water systems active to assess the readiness of the launch pad for Artemis I launch. Our results show that the IOP/SS system is effective at reducing the overpressure signal and overall sound pressure levels felt by the vehicle and additionally that the pressure loads experienced by the mobile launcher (ML) during engine startup is not increased by the presence of water.

EGS↗
NASA NTRSDate not supplied

Wall-Modeled Large-Eddy Simulation of Supersonic Parachute Inflation

Supersonic parachutes have been used in nearly every robotic mission to another planetary body with an atmosphere because they are one of the most mass-efficient ways to decelerate a payload to land on the surface. Short of performing flight tests in the upper Earth atmosphere, we currently cannot reliably predict a novel parachute system’s performance or potential failure modes, or even confidently explain it after the fact, as was the case with the Low Density Supersonic Decelerator flight tests and subsequent investigations. Fluid-structure interaction (FSI) simulations have the potential to bridge this gap. To this end, we present several improvements to the state-of-the-art for simulating supersonic parachutes using FSI: a higher effective resolution convective flux, an immersed boundary turbulent wall layer modeling approach to capture viscous effects, and a novel method to obtain a more realistic initial parachute shape. A recent supersonic parachute flight test is simulated and compared to measurements for the purposes of model validation.

ESM↗
NASA NTRS1983

An interacting boundary layer model for cascades

A laminar, incompressible interacting boundary layer model is developed for two-dimensional cascades. In the limit of large cascade spacing these equations reduce to the interacting boundary layer equations for a single body immersed in an infinite stream. A fully implicit numerical method is used to solve the governing equations, and is found to be at least as efficient as the same technique applied to the single body problem. Solutions are then presented for a cascade of finite flat plates and a cascade of finite sine-waves, with cusped leading and trailing edges.

Davis, R. T.↗
NASA NTRS1979

Non-linear wave interaction in a magnetoplasma column. I - Theory. II Experiment

The paper presents an analysis of non-linear three-wave interaction for propagation along a cylindrical plasma column surrounded either by a metallic boundary, or by an infinite dielectric, and immersed in an infinite, static, axial magnetic field. An averaged Lagrangian method is used and the results are specialized to parametric amplification and mode conversion, assuming an undepleted pump wave. Computations are presented for a magneto-plasma column surrounded by free space, indicating that parametric growth rates of the order of a fraction of a decibel per centimeter should be obtainable for plausible laboratory plasma parameters. In addition, experiments on non-linear mode conversion in a cylindrical magnetoplasma column are described. The results are compared with the theoretical predictions and good qualitative agreement is demonstrated.

Larsen, J.-M.↗
NASA NTRS2023

Simulation of a Single Rotor and a Quadrotor Hovering in Full and Partial Ground Effect

With the development of urban air mobility, the safety of multirotor vehicle operations in proximity to vertiports must be assessed. This paper examines high-fidelity blade-resolved OVERFLOW simulations and medium-fidelity vortex particle–mesh simulations that capture the aerodynamics of a rotorcraft in full and partial ground effect. Results obtained with each CFD method are compared to verify the consistency of the models introduced in the latter, which include an immersed lifting line for the blade aerodynamics and various boundary conditions to account for solid surfaces such as ground and walls. Satisfactory agreement is obtained for the blade loads and rotorwash velocity profiles in the case of a single rotor, except for small discrepancies at the blade tip. Finally, a quadrotor air taxi is simulated to quantify the load imbalance when the vehicle hovers above a rooftop edge. The combined use of high- and medium-fidelity methods is envisioned to accelerate the workflow when a large number of configurations need to be tested.

HEC↗
NASA NTRS2011

The Fast Scattering Code (FSC): Validation Studies and Program Guidelines

The Fast Scattering Code (FSC) is a frequency domain noise prediction program developed at the NASA Langley Research Center (LaRC) to simulate the acoustic field produced by the interaction of known, time harmonic incident sound with bodies of arbitrary shape and surface impedance immersed in a potential flow. The code uses the equivalent source method (ESM) to solve an exterior 3-D Helmholtz boundary value problem (BVP) by expanding the scattered acoustic pressure field into a series of point sources distributed on a fictitious surface placed inside the actual scatterer. This work provides additional code validation studies and illustrates the range of code parameters that produce accurate results with minimal computational costs. Systematic noise prediction studies are presented in which monopole generated incident sound is scattered by simple geometric shapes - spheres (acoustically hard and soft surfaces), oblate spheroids, flat disk, and flat plates with various edge topologies. Comparisons between FSC simulations and analytical results and experimental data are presented.

Tinetti, Ana F.↗
DOE OSTI2024

Adaptive immersed isogeometric level-set topology optimization

Here, this paper presents for the first time an adaptive immersed approach for level-set topology optimization using higher-order truncated hierarchical B-spline discretizations for design and state variable fields. Boundaries and interfaces are represented implicitly by the iso-contour of one or multiple level-set functions. An immersed finite element method, the eXtended IsoGeometric Analysis, is used to predict the physical response. The proposed optimization framework affords different adaptively refined higher-order B-spline discretizations for individual design and state variable fields. The increased continuity of higher-order B-spline discretizations together with local refinement enables direct control over the accuracy of the representation of each field while simultaneously reducing computational cost compared to uniformly refined discretizations. A flexible mesh adaptation strategy enables local refinement based on geometric measures or physics-based error indicators. These adaptive discretization and analysis approaches are integrated into gradient-based optimization schemes, evaluating the design sensitivities using the adjoint method. Numerical studies illustrate the features of the proposed framework with static, linear elastic, multi-material, two- and three-dimensional problems. The examples provide insight into the effect of refining the design variable field on the optimization result and the convergence rate of the optimization process. Using coarse higher-order B-spline discretizations for level-set fields promotes the development of smooth designs and suppresses the emergence of small features. Moreover, adaptive mesh refinement for state variable fields results in a reduction of overall computational cost. Higher-order B-spline discretizations are especially interesting when evaluating gradients of state variable fields due to their higher inter-element continuity.

36 MATERIALS SCIENCE↗
NASA NTRS2004

Frequency Domain Calculations Of Acoustic Propagation

Two complex geometry problems are solved using the linearized Euler equations. The impedance mismatch method1 is used to impose the solid surfaces without the need to use a body-fitted grid. The problem is solved in the frequency domain to avoid long run times. Although the harmonic assumption eliminates all time dependence, a pseudo-time term is added to allow conventional iterative methods to be employed. A Jameson type, Runge-Kutta scheme is used to advance the solution in pseudo time. The spatial operator is based on a seven-point, sixth-order finite difference. Constant coefficient, sixth-derivative artificial dissipation is used throughout the domain. A buffer zone technique employing a complex frequency to damp all waves near the boundaries is used to minimize reflections. The results show that the method is capable of capturing the salient features of the scattering, but an excessive number of grid points are required to resolve the phenomena in the vicinity of the solid bodies because the wavelength of the acoustics is relatively short compared with the size of the bodies. Smoothly transitioning into the immersed boundary condition alleviates the difficulties, but a fine mesh is still required.

Lockard, David P.↗