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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Numerical case study of the aerosol–cloud interactions in warm boundary layer clouds over the eastern North Atlantic with an interactive chemistry module

The presence of warm boundary layer stratiform clouds over the eastern North Atlantic (ENA) region is commonly influenced by the Azores High, especially during the summer season. To investigate comprehensive aerosol–cloud interactions, this study employs the Weather Research and Forecasting model coupled with a chemistry component (WRF-Chem), incorporating aerosol chemical components that are relevant to the formation of cloud condensation nuclei (CCN) and accounting for aerosol spatiotemporal variation. This study focuses on aerosol indirect effects, particularly the long-range transport of aerosols, in the ENA region under three different weather regimes: a ridge with a surface high-pressure system, a post-trough with a surface high-pressure system, and a weak trough. The WRF-Chem simulations conducted at a near-large-eddy scale offer valuable insights into the model's performance, especially in terms of its ability to use high spatial resolution to capture mesoscale cloud features across various weather regimes. Our result shows that introducing 5 times more aerosols to either non-precipitating or precipitating clouds significantly increases ambient CCN numbers, resulting in, to varying degrees, higher liquid water path (LWP) values. The substantial aerosol–cloud interaction especially occurs in the precipitating clouds and demonstrates the susceptibility of the LWP to changes in CCN under different regimes. Conversely, thin, non-rain clouds at the edges of a cloud system are prone to evaporation, exhibiting an aerosol drying effect. The aerosols released during this process transition back to the accumulation mode, facilitating future activation. This dynamic behavior is not adequately represented in prescribed-aerosol simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Numerical and Experimental Study of an Aircraft Igniter Plasma Jet Discharge

The spark discharge of an aircraft plasma jet igniter is studied using high-fidelity numerical simulations and X-ray radiography measurements. The target problem here features the thermal expansion of hot gas introduced by the electric spark within a confined igniter cavity, which eventually evolves into a pulsed jet of a high-temperature kernel. A comprehensive set of models adapted from existing strategies for internal combustion engine spark plug discharge is extended to the target problem, including the modeling of energy deposition, plasma reactions, thermodynamic properties, and heat losses. A series of validation and parameter studies are performed and presented. The kernel size is found to be sensitive to heat losses arising from radiation and hot gas remained within the discharge cavity, rather than heat conduction to the wall in the discharge cavity. Depending on the enforced shape of the post-breakdown electric arc, the spark kernel can be off-centered, tilted, and considerably asymmetric. These features have been previously not considered when studying such igniter configurations and may have a first-order impact on the ignition process. Provided a proper setup of the heat loss models and electric arc shape, the numerical results are quantitatively comparable to the experimental results in terms of the kernel size, shape, and velocity throughout different stages after the spark discharge.

Tang, Yihao↗
DOE OSTI2023

Investigation of Farm-to-Farm Interactions and Blockage Effects from AWAKEN using Large-Scale Numerical Simulations

A large-scale numerical computation of five wind farms was performed as a part of the American Wake Experiment (AWAKEN). This high-fidelity computation used the ExaWind/AMR-Wind LES solver to simulate a 100km × 100km domain containing 541 turbines under unstable atmospheric conditions matching previous measurements. The turbines were represented by Joukowski and OpenFAST coupled actuator disk models. Results of this qualitative comparison illustrate the interactions with wind farms with large scale ABL structures in the flow, as well as the extent of downstream wake penetration in the flow and blockage effects around wind farms.

Cheung, Lawrence C.↗
NASA NTRS1982

Numerical grid generation; Proceedings of the Symposium on Numerical Generation of Curvilinear Coordinate Systems and Their Use in the Numerical Solution of Partial Differential Equations, Nashville, TN, April 13-16, 1982

General curvilinear coordinate systems are considered along with the error induced by coordinate systems, basic differential models for coordinate generation, elliptic grid generation, conformal grid generation, algebraic grid generation, orthogonal grid generation, patched coordinate systems, and solid mechanics applications of boundary fitted coordinate systems. Attention is given to coordinate system control and adaptive meshes, the application of body conforming curvilinear grids for finite difference solution of external flow, the use of solution adaptive grids in solving partial differential equations, adaptive gridding for finite difference solutions to heat and mass transfer problems, and the application of curvilinear coordinate generation techniques to the computation of internal flows. Other topics explored are related to the solution of nonlinear water wave problems using boundary-fitted coordinate systems, the numerical modeling of estuarine hydrodynamics on a boundary-fitted coordinate system, and conformal grid generation for multielement airfoils.

Thompson, J. F.↗
DOE OSTI2022

Dynamic responses of submerged components in advanced reactors: experimental and numerical studies

The seismic design of an advanced nuclear reactor must consider the interaction of vessel internal components with the surrounding coolant: fluid–structure interaction (FSI). Available analytical solutions for FSI of submerged components do not accommodate multiple-component, intense seismic inputs and complex reactor and internal geometries. Physical testing of reactor vessels and internals to inform seismic design is impractical and cost-prohibitive, leaving the use of verified and validated, robust numerical models as the only plausible option for analysis and design. Physical data that could be used for validating such numerical models for multi-component shaking are not available. This article describes an experimental program performed on a 6-degree-of-freedom earthquake simulator to generate data that could support validation of seismic FSI numerical models for submerged components in commercial finite element codes. A scaled model of a base-supported reactor vessel with simplified representations of submerged internals was tested to generate submerged-component response histories for a range of seismic inputs. The generated data were used to validate numerical models in the finite element code LS-DYNA. Numerical models were validated for calculation of hydrodynamic pressure responses on internals, in-water frequencies of internals, and acceleration responses of internals. The generated data and the analysis recommendations could aid engineering analysts designing submerged components and systems for seismic effects.

Engineering↗
DOE OSTI2019

ICAT: A numerical scheme to minimize numerical diffusion in advection-dispersion modeling and its application in identifying flow channeling

The advection-dispersion equation for scalar transport is essential for the numerical modeling of many fluid dynamics problems. However, solutions from numerical schemes always suffer from numerical diffusion and/or oscillation. In this study, we develop an Intra-Cell Advection Tracking (ICAT) scheme to minimize numerical diffusion and preserve monotonicity for advection-dispersion modeling. The key idea is to introduce “queues” in each discretized cell, and using a sequential transport rule and a flow distribution mechanism to track the scalar transport in these queues temporally and spatially. The capability and limitations of ICAT are first investigated through three test cases. Compared with the results obtained from other numerical schemes, the results from ICAT show substantially reduced numerical diffusion and agree better with analytical solutions. We also employ ICAT to simulate the transport process of a conservative tracer in a fracture with a highly heterogeneous aperture distribution. We report discrete flow channels in the fracture are better discerned by ICAT than by other numerical schemes, indicating the suitability of ICAT for modeling tracer transport in channelized flow fields.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Numerical Diffusion (Mixing) of Material in Numerical Simulations of Hydrodynamics [Slides]

It is often assumed that a material interface between two materials is spread over a few numerical cells in numerical simulations for hydrodynamics. Also, we have the impression that higher order methods introduce less numerical diffusion (mixing) of material. As we know one of the purposes of adaptive mesh refinement (AMR) is to resolve interfaces between materials, but we would like to know how effective AMR is to reduce numerical diffusion of material. We will present our investigation about numerical diffusion (mixing) of material in xRage. The result of the investigation indicates that the assumptions mentioned above are not always valid. In this talk, we will also demonstrate the effectiveness of numerical techniques to reduce numerical diffusion of material, including contact discontinuity steepening, isotropic interface steepening, max interface steepening, material interface reconstruct.

36 MATERIALS SCIENCE↗
DOE OSTI2024

High-Fidelity Numerical Wave Tank Verification & Validation Study: Wave Generation Through Paddle Motion: Preprint

This paper presents a numerical benchmark study of wave propagation due to a paddle motion using different high-fidelity numerical models, which are capable of replicating the nearly actual physical wave tank testing. A full time series of the measured wave generation paddle motion which was used to generate wave propagation in the physical wave tank will be utilized in each of the models contributed by IEA OES Task 10's participants, which includes both computational fluid dynamics (CFD) and smooth hydrodynamic particle (SPH). The high-fidelity simulations of the physical wave testcase will allow for the evaluation of the initial transient effects from wave ramp-up and its evolution in the wave tank over time for two representative regular waves with varying levels of nonlinearity. A couple of interesting metrics like the predicted wave surface elevation at select wave probes, wave period, and phase-shift in time will be assessed to evaluate the relative accuracy of numerical models versus experimental data within specified time intervals. These models will serve as a guide for modelers in the wave energy community and provide a base case to allow further and more detailed numerical modeling of the fixed Kramer Sphere Cases under wave excitation force wave tank testing.

HYDRO ENERGY,TIDAL AND WAVE POWER↗
DOE OSTI2024

Large‐Area, High‐Numerical‐Aperture, Freeform Metasurfaces

Abstract Nanophotonic devices are optical platforms capable of unprecedented wavefront control. To push the limits of experimental device performance, scalable design methodologies that combine the simplicity and fabricability of conventional design paradigms with the extended capabilities of freeform optimization are required. A novel gradient‐based design framework for large‐area freeform metasurfaces is introduced in which nonlocal interactions between simply shaped nanostructures, placed on an irregular lattice, are tailored to produce high‐order hybridized modes that support customizable large‐angle scattering profiles. Utilizing this approach, multifunctional super‐dispersive metalenses are designed and experimentally demonstrated. The approach to high‐numerical‐aperture radial metalenses capable of diffraction limited focusing and the generation of donut‐shaped point spread functions is also extended. It is anticipated that these concepts will have utility in super‐resolution microscopy, particle trapping, additive manufacturing, and metrology applications that require ultra‐high numerical apertures.

Optics↗
DOE OSTI2022

Numerical simulations of membrane distillation systems with actively heated membranes

Membrane distillation (MD) is a thermal desalination process that is gaining attention for treating hypersaline brines. One recent approach uses composite membranes with a thermally conductive layer that delivers heat to the membrane–feed interface, where it drives evaporation. Though this increases single-pass recovery, it comes with the challenge of promoting lateral heat conduction through the thin membrane. Herein, we develop a 3D, computational fluid dynamics (CFD) model that simulates conjugate heat, mass, and momentum transport in the feed channel and composite membrane. We then use the CFD to verify a simpler numerical model that approximates the feed velocity field analytically. We validate the numerical model experimentally, and use it to investigate the impacts of the conductive layer thickness, feed channel geometry, and operating conditions on temperature and concentration polarization, permeate production, and specific energy consumption. Overall, we find that lateral heating increases permeate production at the expense of increased concentration polarization. In extreme cases, the concentration increases more than four-fold along the membrane surface. Furthermore, we show however, that the feed flow rate and conductive layer thickness can be tailored to mitigate concentration polarization, for only a small reduction in permeate production.

42 ENGINEERING↗
DOE OSTI2021

Numerical and experimental evaluation of mechanical performance of the multifunctional energy storage composites

This work presents numerical simulation methods to model the mechanical behavior of the multifunctional energy storage composites (MESCs), which consist of a stack of multiple thin battery layers reinforced with through-the-hole polymer rivets and embedded inside carbon fiber composite laminates. MESC has been demonstrated through earlier experiments on its exceptional behavior as a structural element as well as a battery. However, the inherent complex infrastructure of the MESC design has created significant challenges in simulation and modeling. A novel homogenization technique was adopted to characterize the multi-layer properties of battery material using physics-based constitutive equations combined with nonlinear deformation theories to handle the interface between the battery layers. Second, mechanical damage and failure modes among battery materials, polymer reinforcements, and carbon fiber-polymer interfaces were characterized through appropriate models and experiments. The model of MESCs has been implemented in a commercial finite element code in ABAQUS. A comparison of structural response and failure modes from numerical simulations and experimental tests are presented. The results of the study showed that the predictions of elastic and damage responses of MESCs at various loading conditions agreed well with the experimental data. © 2021

Materials Science↗
NASA NTRS1998

Spurious Numerical Oscillations in Numerical Simulation of Supersonic Flows Using Shock Capturing Schemes

The numerical simulation of transitional and turbulent processes in hypersonic boundary layers often involves a physical process of a shock-disturbance wave interaction in complex two-dimensional and three-dimensional flow fields. For such simulations, it is required that there be a high order of accuracy in capturing both the shock and the small disturbances. The purpose of this paper is to evaluate the viability of using high order shock capturing schemes to track small disturbances in a multi-dimensional steady hypersonic flow. The numerical methods that are to be studied are the Total Variation Diminishing (TVD) scheme, and Essentially Non-Oscillatory (ENO) scheme. This paper shows that the presence of numerical oscillations in the flow field solution may drastically hinder any attempt at tracking the propagation of any physical disturbances. It has been found that the numerical oscillations that exist for shock capturing methods may be significant enough to pollute a flow field containing small physical disturbances. The effects of the refinement of the grid do not reduce the oscillations, but rather they decrease the wavelength of the oscillations. It is shown that by aligning the shock with the grid, the amplitude of these spurious oscillations may be greatly reduced.

Lee, Theodore K.↗
DOE OSTI2022

Numerical fluid dynamics for FRG flow equations: Zero-dimensional QFTs as numerical test cases. II. Entropy production and irreversibility of RG flows

Herein we demonstrate that the reformulation of renormalization group (RG) flow equations as nonlinear heat equations has severe implications on the understanding of RG flows in general. We demonstrate by explicitly constructing an entropy function for a zero-dimensional Z 2 -symmetric model that the dissipative character of generic nonlinear diffusion equations is also hard-coded in the functional RG equation. This renders RG flows manifestly irreversible, revealing the semigroup property of RG transformations on the level of the flow equation itself. Additionally, we argue that the dissipative character of RG flows, its irreversibility and the entropy production during the RG flow may be linked to the existence of a so-called C– / A-function. In total, this introduces an asymmetry in the so-called RG time—in complete analogy to the thermodynamic arrow of time—and allows for an interpretation of infrared actions as equilibrium solutions of dissipative RG flows equations. The impossibility of resolving microphysics from macrophysics is evident in this framework. Furthermore, we directly link the irreversibility and the entropy production in RG flows to an explicit numerical entropy production, which is manifest in diffusive and non-linear partial differential equations (PDEs) and a standard mathematical tool for the analysis of PDEs. Using exactly solvable zero-dimensional Z 2 -symmetric models, we explicitly compute the (numerical) entropy production related to the total variation nonincreasing property of the PDE during RG flows toward the infrared limit. Finally, we discuss generalizations of our findings and relations to the C– / A-theorem as well as how our work may help to construct truncations of RG flow equations in the future, including numerically stable schemes for solving the corresponding PDEs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Numerical Analysis of Detonability Assessment in a Natural Gas-Air Fueled Rotating Detonation Engine

Rotating Detonation Engines (RDE) offer an alternative combustion strategy to replace conventional constant pressure combustion with a process that could produce a pressure gain without the use of a mechanical compressor. Recent numerical and experimental publications that consider air as the oxidizer have primarily focused on the ability of these annular combustors to sustain a stable continuous detonation wave when fueled by hydrogen. However, for this to be a viable consideration for the land-based power generation it is necessary to explore the ability to detonate natural gas and air within the confines of the annular geometry of an RDE. Previous studies on confined detonations have expressed the importance of permitting detonation cells to fully form within the combustor in order to achieve stability. This poses a challenge for natural gas–air fueled processes as their detonation cell size can be quite large even at moderate pressures. Despite the practical importance, only a few studies are available on natural gas detonations for air-breathing RDE applications. Moreover, the extreme thermodynamic condition (high temperature inside the combustor) allows limited accessibility inside the combustor for detailed experimental instrumentations, providing mostly single-point data. Recent experimental studies at the National Energy Technology Laboratory (NETL) have reported detonation failure at higher methane concentration in an air-breathing RDE fueled by natural gas-hydrogen fuel blends. This encourages to perform a detailed numerical investigation on the wave characteristics of detonation in a natural gas-air fueled RDE to understand the various aspects of instability associated with the natural gas-air detonation.This study is a numerical consideration of a methane-air fueled RDE with varying operating conditions to ascertain the ability to achieve a stable, continuous detonation wave. The simulations have been performed in a 2D unwrapped RDE geometry using the open-source CFD library “OpenFOAM” employing an unsteady pressure-based compressible reactive flow solver with a <em>k</em>–<em>ε</em> turbulence model in a structured rectangular grid system. Both reduced and detailed chemical kinetic models have been used to assess the effect of the chemistry on the detonation wave characteristics and the underlying flow features. A systematic grid sensitivity study has been conducted with various grid sizes to quantify the weakly stable overdriven detonation on a coarse mesh and oscillating features at fine mesh resolutions.The main focus of the current study is to investigate the effects of operating injection pressure on detonation wave characteristics of an air-breathing Rotating Detonation Engine (RDE) fueled with natural gas-hydrogen fuel blends. Wave speeds, peak pressures and temperatures, and dominant frequencies have been computed from the time histories. The flow structures were then visualized using 2D contours of temperature and species concentration.

Saha, Pankaj↗
DOE OSTI2026

Direct numerical simulations of activation and deactivation in turbulent atmospheric clouds

Significant knowledge gaps remain in our understanding of turbulence–cloud–aerosol interactions in the Earth's atmosphere, and direct numerical simulation (DNS) has increasingly become an indispensable tool to fill such critical knowledge gaps. Here, this study is an extension of our previous DNS model [Gao et al., J. Geophys. Res.: Atmos., 123(4), 2194–2214 (2018)], with a focus on the activation of aerosol particles into cloud droplets and deactivation of cloud droplets into aerosol particles in a microscale cloud environment. The effects of turbulence intensity, particle curvature, and solute, as well as the initial distributions of the aerosol particles (monodisperse or polydisperse) are investigated. The governing equations for the flow of air, temperature, and water vapor mixing ratio are solved numerically in the Eulerian fashion, assuming homogeneous and isotropic turbulence. The dynamics of the aerosol and cloud particles are calculated with the Lagrangian particle tracking method. The results show that the deviations of the thermodynamic variables from their respective means are significantly reduced, the activation process appears to be delayed, and the deactivation process occurs more rapidly, as the turbulence intensity is increased. The inclusion of particle curvature and solute effects, as well as polydispersity, tends to retard the activation of aerosols into cloud droplets. It is also observed that fluctuations in supersaturation broaden the spread of particle radii, and the broadening is followed by a narrowing as turbulent homogenization reduces thermodynamic fluctuations over time.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Numerical Analysis of Liquid Metal MHD Flow and Heat Transfer for Open-Surface Li Divertor in FNSF

Within the ongoing U.S.-based program on the development of liquid metal plasma-facing components, numerical simulations and analyses are performed to address the feasibility of the open-surface Li divertor. In the previous scoping studies (Smolentsev, 2021), heat-removal capabilities of the divertor were assessed using a simplified flow model for a slug-type velocity profile and constant flow thickness. Here, new analyses take into account forces acting on the flowing Li layer. Three reduced-order mathematical models are applied under the conditions of the U.S. Fusion Nuclear Science Facility (FNSF) to access magnetohydrodynamic (MHD) flow development effects, velocity distribution, and surface waves: 1) fully developed MHD flow; 2) quasi-2-D developing MHD flow; and 3) multiphase MHD flow. The obtained results for MHD flows and the surface heat flux computed with the plasma code scrape-off layer plasma simulation for ITER (SOLPS-ITER) are then used as input data to compute the temperature distribution in the divertor by solving the convection–diffusion energy equation.

Smolentsev, Sergey↗
DOE OSTI2020

Direct Numerical Simulation of the Flow through a Randomly Packed Pebble Bed

The proposition for molten salt and high-temperature gas-cooled reactors has increased the focus on the dynamics and physics in randomly packed pebble beds. Research is being conducted on the validity of these designs as a possible contestant for the fourth-generation nuclear power systems. A detailed understanding of the coolant flow behavior is required in order to ensure proper cooling of the reactor core during normal and accident conditions. In order to increase the understanding of the flow through these complex geometries and enhance the accuracy of lower-fidelity modeling, high-fidelity approaches such as direct numerical simulation (DNS) can be utilized. Nek5000, a spectral-element computational fluid dynamics (CFD) code, was used to develop DNS fluid flow data. The flow domain consisted of 147 pebbles enclosed by a bounding wall. In the work presented, the Reynolds numbers ranged from 430 to 1050 based on the pebble diameter and inlet velocity. Characteristics of the flow domain such as volume averaged porosity, axial porosity, and radial porosity were studied and compared with correlations available in the literature. Friction factors from the DNS results for all Reynolds numbers were compared with correlations in the literature. The first- and second-order statistics show good agreement with the available experimental data. Turbulence length scales were analyzed in the flow. Reynolds stress anisotropy was characterized by utilizing invariant analysis. Overall, the results of the analysis in this study provide deeper understanding of the flow behavior and the effect of the wall in packed beds.

Yildiz, Mustafa Alper↗