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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Comparison of Measured and Numerically Simulated Turbulence Statistics in a Convective Boundary Layer Over Complex Terrain

High resolution numerical simulation can provide insight into important physical processes that occur within the planetary boundary layer (PBL). The present work employs large eddy simulation (LES) nested within the Weather Forecasting and Research (WRF) framework to simulate real conditions in the convective PBL over an area of complex terrain. A multiple nesting approach has been used to downsize the grid spacing size from 12.15 km (mesoscale) to 0.03 km (LES). To minimize artifacts in theWRF-LES solutions resulting from using an inappropriate grid spacing on the WRF-Meso domain, a careful selection of grid spacing has been conducted. The WRF-LES results have been evaluated with in situ and remote sensing observations collected during the US Department of Energy supported Columbia BasinWind Energy Study (CBWES). The comparison for the first and second order moments, turbulence spectrum, and probability density function (pdf) of wind speed show good agreement between the simulation and data. Furthermore, the WRF-LES variables show a great deal of variability in space and time caused by the complex topography in the LES domain. The WRF-LES results show that the flow structures, such as roll vortices and convective cells, over the domain vary depending on both the spatial location and time of the day. In addition to basic studies related to boundary-layer meteorology, results from these simulations can be used in other applications, such as studying the wind energy resources.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Numerical simulation of systems of shear bands in ductile metal with inclusions

We develop a method for numerical simulations of high strain-rate loading of mesoscale samples of ductile metal with inclusions. Because of its small-scale inhomogeneity, the composite material is prone to localized shear deformation (adiabatic shear bands). This method employs the Generalized Method of Cells of Paley and Aboudi [Mech. Materials, vol. 14, pp. 127–139, 1992] to ensure that the micro mechanical behavior of the metal and inclusions is reflected properly in the behavior of the composite at the mesoscale. To find the effective plastic strain rate when shear bands are present, we extend and apply the analytic and numerical analysis of shear bands of Glimm, Plohr, and Sharp [Mech. Materials, vol. 24, pp. 31–41, 1996]. Our tests of the method focus on the stress/strain response in uniaxial-strain flow, both compressive and tensile, of depleted uranium metal containing silicon carbide inclusions. We use the Preston-Tonks-Wallace viscoplasticity model [J. Appl. Phys., vol. 93, pp. 211–220, 2003], which applies to the high strain-rate regime of an isotropic viscoplastic solid. In results, we verify the elevated temperature and thermal softening at shear bands in our simulations of pure DU and DU/SiC composites. We also note that in composites, due the asymmetry caused by the inclusions, shear band form at different times in different subcells. In particular, in the subcells near inclusions, shear band form much earlier than they do in pure DU.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Large-Scale Compressible-Flow Direct Numerical Simulations

Direct numerical simulation (DNS) of turbulent flows began in the early 1970s with the study of incompressible isotropic turbulence by Orszag and Patterson (Phys Rev Lett 28(2), 76–79, 1972), and compressible DNS were not conducted until the 1980s.

Mechanics↗
DOE OSTI2014

Investigations of Bubbly Flows using Direct Numerical Simulations

Direct numerical simulations are used to examine the behavior of relatively high void fraction bubbly flows. The full Navier-Stokes equations are solved for both the bubbles and the ambient liquid and the flow near the moving and deforming phase boundaries is resolved fully. This yields detailed data for the evolution of the system that can be used to extract information about the basic bubble-bubble and bubble-flow interactions as well as about the averaged properties of the system. Such information are critical for the generation of averaged engineering models of industrial size systems as well as for novel applications of bubbly flows where experiments are difficult. The project has yielded detailed information about many aspects of bubbly flows. The results for flows in vertical channels are particularly significant and have yielded an essentially complete understanding of many aspects of the flows. The important insight is that the flow has a particularly simple structure, consisting of a homogeneous core in hydrostatic balance and a wall layer whose composition depends of whether the liquid is flowing upward or downward. These results hold for both laminar and turbulent flows and have allowed us to derive an analytical model to predict the flow. We have also shown that bubble deformability results in a completely different flow structure, but also giving rise to relatively simple predictive models. Preliminary studies of transient migration of a non-homogeneous bubble distribution and coalescence induced flow regime transitions in vertical channels were also done.

42 ENGINEERING↗
DOE OSTI2021

Emerging Issues in the Development of Geologic Models for Gas Hydrate Numerical Simulation

The numerical simulation of gas hydrate reservoirs has evolved greatly in recent years. Scientific and industrial drilling programs have acquired detailed characterization data from gas hydrate systems in Alaska, Japan, India, Korea, China, and the Gulf of Mexico. These data provide invaluable calibration points that serve to ground-truth hydrate reservoir modeling efforts.

Boswell, Ray↗
DOE OSTI2024

Rethinking materials simulations: Blending direct numerical simulations with neural operators

Abstract Materials simulations based on direct numerical solvers are accurate but computationally expensive for predicting materials evolution across length- and time-scales, due to the complexity of the underlying evolution equations, the nature of multiscale spatiotemporal interactions, and the need to reach long-time integration. We develop a method that blends direct numerical solvers with neural operators to accelerate such simulations. This methodology is based on the integration of a community numerical solver with a U-Net neural operator, enhanced by a temporal-conditioning mechanism to enable accurate extrapolation and efficient time-to-solution predictions of the dynamics. We demonstrate the effectiveness of this hybrid framework on simulations of microstructure evolution via the phase-field method. Such simulations exhibit high spatial gradients and the co-evolution of different material phases with simultaneous slow and fast materials dynamics. We establish accurate extrapolation of the coupled solver with large speed-up compared to DNS depending on the hybrid strategy utilized. This methodology is generalizable to a broad range of materials simulations, from solid mechanics to fluid dynamics, geophysics, climate, and more.

36 MATERIALS SCIENCE↗
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 OSTI2018

A numerical simulation of a dry-out process for CO 2 sequestration in heterogeneous deep saline aquifers: Original Research Article: Dry-out problem: Multifactorial numerical simulation

Salt precipitation can be generated near the injection well when dry supercritical CO 2 (scCO 2 ) is injected into deep saline aquifers. Traditional laboratory experiments and numerical simulations focus on the generation of salt precipitation and its impact on core permeability. Current laboratory experimental studies have shown that the heterogeneity of the core and water content on the surface of the particles plays an important role in the formation of salt precipitation. The aim of this study is to explore the effects of brine back-flow, heterogeneity, and low water content on salt precipitation. Numerical simulations were performed using core-scale and site-scale models. Simulation results showed the following: 1. Back-flow plays an important role in the salt accumulation near the well – an homogeneous laboratory experiment used with a small core may not provide a full picture of the back-flow phenomenon. 2. The continuous dry-out process reduces the water content near the injection well to zero. As a result, the full range of saturation flow equations should be used to simulate the dry-out process accurately. 3. The heterogeneity of the matrix not only affects the distribution of salt precipitation but also increases the amount of salt precipitation near the well. Homogeneous simulation underestimates the amount of salt precipitation. 4. The reduction in porosity due to salt precipitation could extend the dry-out process in the low permeability zone, further expanding the salt precipitation area.

58 GEOSCIENCES↗
DOE OSTI2025

Convergence of Cloud Droplet Spectral Relative Dispersion During Entrainment‐Mixing Based on Particle‐Resolved Direct Numerical Simulations

Entrainment-mixing processes critically impact cloud microphysical properties, but their effects on the relative dispersion (d) of cloud droplet size distributions (CDSDs) remain elusive. A direct numerical simulation model is initialized with different CDSDs to fill the gap. These results show that d decreases for broad CDSDs and increases for narrow ones, ultimately converging to approximately 0.5 regardless of initial CDSDs during the evaporation-dominated mixing stage. The supersaturation fluctuation and the shape of CDSDs jointly influence the convergence behavior of d. Further sensitivity tests show that the initial microphysical/dynamical/thermodynamical conditions exert negligible effects on the final converged value of d but affect the convergence rate (k). The k generally increases with increasing droplet number concentration and dissipation rate, and increases with decreasing liquid water content, relative humidity of entrained air, and mixing fraction of cloudy air. A conceptual model with two timescales is proposed; k and the timescales are negatively correlated, meaning that slow mixing and/or evaporation process results in slow convergence of d. In conclusion, this finding provides an important reference for improving understanding and parameterization of d during the entrainment-mixing processes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Direct numerical simulations of a high Karlovitz number laboratory premixed jet flame – an analysis of flame stretch and flame thickening [Direct numerical simulations of a high Ka laboratory premixed jet flame - an analysis of flame stretch and flame thickening]

This article reports an analysis of the first detailed chemistry direct numerical simulation (DNS) of a high Karlovitz number laboratory premixed flame. The DNS results are first compared with those from laser-based diagnostics with good agreement. The subsequent analysis focuses on a detailed investigation of the flame area, its local thickness and their rates of change in isosurface following reference frames, quantities that are intimately connected. The net flame stretch is demonstrated to be a small residual of large competing terms: the positive tangential strain term and the negative curvature stretch term. The latter is found to be driven by flame speed–curvature correlations and dominated in net by low probability highly curved regions. Flame thickening is demonstrated to be substantial on average, while local regions of flame thinning are also observed. The rate of change of the flame thickness (as measured by the scalar gradient magnitude) is demonstrated, analogously to flame stretch, to be a competition between straining tending to increase gradients and flame speed variations in the normal direction tending to decrease them. The flame stretch and flame thickness analyses are connected by the observation that high positive tangential strain rate regions generally correspond with low curvature regions; these regions tend to be positively stretched in net and are relatively thinner compared with other regions. Finally, high curvature magnitude regions (both positive and negative) generally correspond with lower tangential strain; these regions are in net negatively stretched and thickened substantially.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Numerical simulations of the two-dimensional multimode Richtmyer-Meshkov instability

We show the two-dimensional Richtmyer-Meshkov instability occurs as shock waves pass through a perturbed material interface, triggering transition to an inhomogeneous turbulence variable density flow. This paper presents a series of large-eddy-simulations of the two dimensional turbulent RM instability and compares the results to the fully three dimensional simulations. There are two aims for this paper, the first is to explore what numerical resolution is required for a statistically converged solution for a two dimensional inhomogeneous flow field. The second aim is to elucidate the key differences in flow physics between the two dimensional and three dimensional Richtmyer-Meshkov instabilities, particularly their asymptotic self-similar regime. Convergence is achieved using 64 independent realisations and grid resolutions up to 4096 2 in the plane. It is shown that for narrowband cases the growth rate θ = 0.48 which is substantially higher than the three-dimensional equivalent. Mix measures are consistently lower compared to three-dimensional, and the kinetic energy distribution is homogeneous at late time. The broadband case has a similar initial growth rate as the three-dimensional case, with a marginally lower θ = 0.63. Mix is similar in magnitude, but is reducing at late time. The spectra in both cases exhibit the dual-cascade expected from two-dimensional turbulence.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Properties of Turbulence in the Reconnection Exhaust: Numerical Simulations Compared with Observations

The properties of the turbulence that develops in the outflows of magnetic reconnection have been investigated using self-consistent plasma simulations, in three dimensions. As commonly observed in space plasmas, magnetic reconnection is characterized by the presence of turbulence. In this study, we provide a direct comparison of our simulations with reported observations of reconnection events in the magnetotail, investigating the properties of the electromagnetic field and the energy conversion mechanisms. In particular, simulations show the development of a turbulent cascade consistent with spacecraft observations, statistics of the dissipation mechanisms in the turbulent outflows similar to the ones observed in reconnection jets in the magnetotail, and that the properties of turbulence vary as a function of the distance from the reconnecting X-line.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Numerical simulation of cathode plasma dynamics in magnetically insulated vacuum transmission lines

A novel algorithm for the simulation of cathode plasmas in particle-in-cell codes is described and applied to investigate cathode plasma evolution in magnetically insulated transmission lines (MITLs). The MITL electron sheath is modeled by a fully kinetic electron species. Electron and ion macroparticles, both modeled as fluid species, form a dense plasma which is initially localized at the cathode surface. Energetic plasma electron particles can be converted to kinetic electrons to resupply the electron flux at the plasma edge (the “effective” cathode). Using this model, we compare results for the time evolution of the cathode plasma and MITL electron flow with a simplified (isothermal) diffusion model. Simulations in 1D show a slow diffusive expansion of the plasma from the cathode surface. But in multiple dimensions, the plasma can expand much more rapidly due to anomalous diffusion caused by an instability due to the strong coupling of a transverse magnetic mode in the electron sheath with the expanding resistive plasma layer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗