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DOE OSTI2026

An uncertainty visualization framework for large-scale cardiovascular flow simulations: A case study on aortic stenosis

We present a generalizable uncertainty quantification (UQ) and visualization framework for lattice Boltzmann method simulations of high Reynolds number vascular flows, demonstrated on a patient-specific stenosed aorta. The framework combines EasyVVUQ for parameter sampling with large-eddy simulation turbulence modeling in HemeLB, and executes ensembles on the Frontier exascale supercomputer. Spatially resolved metrics, including entropy and isosurface-crossing probability, are used to map uncertainty in pressure and wall shear stress fields directly onto vascular geometries. Two sources of model variability are examined: inlet peak velocity and the Smagorinsky constant. Inlet velocity variation produces high uncertainty downstream of the stenosis where turbulence develops, while upstream regions remain stable. Smagorinsky constant variation has little effect on the large-scale pressure field but increases WSS uncertainty in localized high-shear regions. In both cases, the stenotic throat manifests low entropy, indicative of robust identification of elevated WSS. By linking quantitative UQ measures to three-dimensional anatomy, the framework improves interpretability over conventional 1D UQ plots and supports clinically relevant decision-making, with broad applicability to vascular flow problems requiring both accuracy and spatial insight.

Hemodynamics↗

DOE OSTI2018

Transient Cold Flow Simulation of Fast Fluidized Bed Fuel Reactors for Chemical-Looping Combustion

Circulating fluidized bed in chemical-looping combustion (CLC) is a recent technology that provides great advantage for gas–solid interaction and efficiency. In order to obtain a thorough understanding of this technology and to assess its effectiveness for industrial scale deployment, numerical simulations are conducted. Computational fluid dynamics (CFD) simulations are performed with dense discrete phase model (DDPM) to simulate the gas–solid interactions. CFD commercial software ansysfluent is used for the simulations. Two bed materials of different particle density and diameter, namely the molochite and Fe100, are used in studying the hydrodynamics and particle behavior in a fuel reactor corresponding to the experimental setup of Haider et al. (2016, “A Hydrodynamic Study of a Fast-Bed Dual Circulating Fluidized Bed for Chemical Looping Combustion,” Energy Technol., 4(10), pp. 1254–1262.) at Cranfield University in the UK. Both the simulations show satisfactory agreement with the experimental data for both the static pressure and volume fraction at various heights above the gas inlet in the reactor. It is found that an appropriate drag law should be used in the simulation depending on the particle size and flow conditions in order to obtain accurate results. Furthermore, the simulations demonstrate the ability of CFD/DDPM to accurately capture the physics of circulating fluidized bed-based CLC process at pilot scale which can be extended to industrial scale projects.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2016

A novel coupling of noise reduction algorithms for particle flow simulations

Proper orthogonal decomposition (POD) and its extension based on time-windows have been shown to greatly improve the effectiveness of recovering smooth ensemble solutions from noisy particle data. However, to successfully de-noise any molecular system, a large number of measurements still need to be provided. In order to achieve a better efficiency in processing time-dependent fields, we have combined POD with a well-established signal processing technique, wavelet-based thresholding. In this novel hybrid procedure, the wavelet filtering is applied within the POD domain and referred to as WAVinPOD. The algorithm exhibits promising results when applied to both synthetically generated signals and particle data. In this work, the simulations compare the performance of our new approach with standard POD or wavelet analysis in extracting smooth profiles from noisy velocity and density fields. Numerical examples include molecular dynamics and dissipative particle dynamics simulations of unsteady force- and shear-driven liquid flows, as well as phase separation phenomenon. Simulation results confirm that WAVinPOD preserves the dimensionality reduction obtained using POD, while improving its filtering properties through the sparse representation of data in wavelet basis. This paper shows that WAVinPOD outperforms the other estimators for both synthetically generated signals and particle-based measurements, achieving a higher signal-to-noise ratio from a smaller number of samples. The new filtering methodology offers significant computational savings, particularly for multi-scale applications seeking to couple continuum informations with atomistic models. It is the first time that a rigorous analysis has compared de-noising techniques for particle-based fluid simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2014

Wake Flow Simulations for a Mid-Sized Rim Driven Wind Turbine

The onshore land where wind farms with conventional wind turbines can be places is limited by various factors including a requirement for relatively high wind speed for turbines' efficient operations. Where such a requirement cannot be met, mid-and small-sized turbines can be a solution. In the current paper simulations for near and for wakes behind a mid-sized Rim Driven Wind Turbine developed by Keuka Energy LLC is analyzed. The purposes of this study is to better understand the wake structure for more efficient wind farm planning. Simulations are conducted with the commercial CFD software STARCCM+

17 WIND ENERGY↗

NASA NTRS1992

Unsteady turbomachinery flow simulations on massively parallel architectures

The accurate numerical simulation of unsteady, three-dimensional viscous flow in turbomachines is computationally very intensive, requiring prohibitively large amounts of computer time on current vector supercomputers. In recent years, computer systems based on massively parallel architectures have been developed that offer the promise of meeting the computational power requirements of such large-scale simulations. However, a rethinking of existing algorithms and methodology is required in order to fully harness the computational power of such architectures. In this paper the capabilities of the Connection Machine (CM-2) in predicting unsteady flows in turbomachines are evaluated. The implementation on the CM-2 of an implicit, time-accurate, zonal algorithm for the Navier-Stokes equations in two dimensions is described. Programming issues and modifications made to the original algorithm (developed for vector, pipelined supercomputers) in order to improve performance on the CM-2 are outlined. Algorithm performance is evaluated and compared with a functionally equivalent code for the CRAY-YMP.

Madavan, N. K.↗

NASA NTRS2014

Toward Automatic Verification of Goal-Oriented Flow Simulations

We demonstrate the power of adaptive mesh refinement with adjoint-based error estimates in verification of simulations governed by the steady Euler equations. The flow equations are discretized using a finite volume scheme on a Cartesian mesh with cut cells at the wall boundaries. The discretization error in selected simulation outputs is estimated using the method of adjoint-weighted residuals. Practical aspects of the implementation are emphasized, particularly in the formulation of the refinement criterion and the mesh adaptation strategy. Following a thorough code verification example, we demonstrate simulation verification of two- and three-dimensional problems. These involve an airfoil performance database, a pressure signature of a body in supersonic flow and a launch abort with strong jet interactions. The results show reliable estimates and automatic control of discretization error in all simulations at an affordable computational cost. Moreover, the approach remains effective even when theoretical assumptions, e.g., steady-state and solution smoothness, are relaxed.

Simulations↗

NASA NTRS2004

Wind Flow Simulation Around NASA KSC Vehicle Assembly Building

A model of the wind flow conditions around Kennedy Space Center (KSC) Vehicle Assembly Building (VA B) is presented. An incompressible Navier-Stokes flow solver was used to compute the flow field around fixed Launch Complex 39 (LC-39) buildings and structures. The 3-D flow field. including velocity magnitude and velocity vectors, was established to simulate the localized wind speeds and directions at specified locations in and around LC-39 buildings and structures. The results of this study not only help explain the physical phenomena of the flow patterns around LC-39 buildings but also are useful to the Shuttle personnel. Current Operations and Maintenance Requirements and Specifications (OMRS) for vehicle transfer operations are based on empirically derived historical data, and no detailed mathematical analysis of wind conditions around LC-39 structures has ever been accomplished.

Vu, B. T.↗

DOE OSTI2021

Two-Phase Turbulence Statistics from High Fidelity Dispersed Droplet Flow Simulations in a Pressurized Water Reactor (PWR) Sub-Channel with Mixing Vanes

In the dispersed flow film boiling regime (DFFB), which exists under post-LOCA (loss-of-coolant accident) conditions in pressurized water reactors (PWRs), there is a complex interplay between droplet dynamics and turbulence in the surrounding steam. Experiments have accredited particular significance to droplet collision with the spacer-grids and mixing vane structures and their consequent positive feedback to the heat transfer recorded in the immediate downstream vicinity. Enabled by high-performance computing (HPC) systems and a massively parallel finite element-based flow solver—PHASTA (Parallel Hierarchic Adaptive Stabilized Transient Analysis)—this work presents high fidelity interface capturing, two-phase, adiabatic simulations in a PWR sub-channel with spacer grids and mixing vanes. Selected flow conditions for the simulations are informed by the experimental data found in the literature, including the steam Reynolds number and collision Weber number (Wec={40,80}), and are characteristic of the DFFB regime. Data were collected from the simulations at an unprecedented resolution, which provides detailed insights into the continuous phase turbulence statistics, highlighting the effects of the presence of droplets and the comparative effect of different Weber numbers on turbulence in the surrounding steam. Further, axial evolution of droplet dynamics was analyzed through cross-sectionally averaged quantities, including droplet volume, surface area and Sauter mean diameter (SMD). The downstream SMD values agree well with the existing empirical correlations for the selected range of Wec. The high-resolution data repository from the simulations herein is expected to be of significance to guide model development for system-level thermal hydraulic codes.

Saini, Nadish↗

DOE OSTI2014

Thickness-based adaptive mesh refinement methods for multi-phase flow simulations with thin regions

In numerical simulations of multi-scale, multi-phase flows, grid refinement is required to resolve regions with small scales. A notable example is liquid-jet atomization and subsequent droplet dynamics. It is essential to characterize the detailed flow physics with variable length scales with high fidelity, in order to elucidate the underlying mechanisms. In this paper, two thickness-based mesh refinement schemes are developed based on distance- and topology-oriented criteria for thin regions with confining wall/plane of symmetry and in any situation, respectively. Both techniques are implemented in a general framework with a volume-of-fluid formulation and an adaptive-mesh-refinement capability. The distance-oriented technique compares against a critical value, the ratio of an interfacial cell size to the distance between the mass center of the cell and a reference plane. The topology-oriented technique is developed from digital topology theories to handle more general conditions. The requirement for interfacial mesh refinement can be detected swiftly, without the need of thickness information, equation solving, variable averaging or mesh repairing. The mesh refinement level increases smoothly on demand in thin regions. The schemes have been verified and validated against several benchmark cases to demonstrate their effectiveness and robustness. These include the dynamics of colliding droplets, droplet motions in a microchannel, and atomization of liquid impinging jets. Overall, the thickness-based refinement technique provides highly adaptive meshes for problems with thin regions in an efficient and fully automatic manner.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1987

Three dimensional hypersonic flow simulations with the CSCM implicit upwind Navier-Stokes method

The Bardina and Lombard (1985) three-dimensional CSCM Navier-Stokes method is presently extended to the simulation of complex hypersonic reentry vehicle external flows at angle of attack. The robust stability of the method derives from the combination of conservative implicit upwind flux difference splitting with a three-dimensional diagonally-dominant approximate factorization and relaxation scheme and characteristic-based implicit boundary approximations. The method's efficiency derives from an implicit symmetric Gauss-Seidel 'method of planes' relaxation scheme with alternating directional space marching sweeps along the flow coordinate direction.

Bardina, Jorge↗

NASA NTRS1987

Impeller shroud to casing leakage flow simulations in the Space Shuttle Main Engine high pressure fuel pump

Quasi-three-dimensional Navier-Stokes calculations were carried out for the Space Shuttle Main Engine high-pressure fuel pump to simulate the impeller shroud to casing leakage flow. This flow geometry was modeled as an axisymmetric cavity flow with a stationary surface representing the casing, and a rotating surface denoting the impeller. A 63 x 81-node mesh provided sufficient resolution in the regions of greatest flow variations and reduced the effects of numerical diffusion. The turbulence field was closed with the high Reynolds number form of the k-epsilon model supplemented with wall functions in the vicinity of the walls. Finally, a parametric study quantified the effects of through mass flow changes on this leakage flow.

Sindir, Munir M.↗

NASA NTRS1991

On the rotation and skew-symmetric forms for incompressible flow simulations

A variety of numerical simulations of transition and turbulence in incompressible flow are presented to compare the commonly used rotation form with the skew-symmetric (and other) forms of the nonlinear terms. The results indicate that the rotation form is much less accurate than the other forms for spectral algorithms which include aliasing errors. For de-aliased methods the difference is minimal.

Zang, Thomas A.↗

DOE OSTI2017

Discrete and Continuum Plane-Hopper Flow Simulations with Experimental Validation Using X-Ray Imaging, Arch Profilometry and Wall Pressure Measurements

The flow of spherical glass beads, approximately cubic wood crumbles®, and wood microchips are investigated using a combination of discrete element modeling (DEM), finite element analysis (FEA), and physical experiments using a custom plane-flow hopper in which the flow is characterized using x-ray imaging, profilometry to measure arching geometry and pressure measurements at the wall. The purpose of this study is to investigate fundamental flow behavior, and for this purpose the simulations and physical tests are specially designed. During the physical tests and simulations, the hopper geometry begins as a V shape with the two opposing side walls touching at the bottom of the V. Basic tests are performed by first filling the hopper with material, and then rotating the opposing side walls inward about their common intersection axis to cause an approximately uniform stress condition throughout most of the hopper. The side walls then slide upward to effectively increase the size of the opening at the bottom of the hopper until the arch of material in the hopper breaks, and all of the material falls out of the hopper. More advanced tests are also performed in which the initial rotation of the walls is slightly reversed to decrease the pressure in the hopper, corresponding to “preshear” and “shear” conditions in standard shear tests. Shear tests of the materials are also performed using a Schulze automated ring shear tester with a standard size M shear cell, and the shear tests of the glass beads and wood crumbles® are also simulated using DEM to calibrate the DEM with the FEA. Reasonable agreement between predicted and measured flow behavior is obtained indicating that this type of physical tests and modeling shows promise for characterizing and predicting the flow behavior of compressible and anisotropic materials.

09 BIOMASS FUELS↗

NASA NTRS1986

Two-flow simulation of the natural light field within a canopy of submerged aquatic plants

A two-flow model is developed to simulate a light field composed of both collimated and diffuse irradiance within natural waters containing a canopy of bottom-adhering plants. To account for the effects of submerging a canopy, the transmittance and reflectance terms associated with each plant structure (leaves, stems, fruiting bodies, etc.) are expressed as functions of the ratio of the refractive index of the plant material to the refractive index of the surrounding media and the internal transmittance of the plant stucture. Algebraic solutions to the model are shown to yield plausible physical explanations for unanticipated variations in volume reflectance spectra. The effect of bottom reflectance on the near-bottom light field is also investigated. These indicate that within light-limited submerged aquatic plant canopies, substrate reflectance may play an important role in determining the amount of light available to the plants and, therefore, canopy productivity.

Ackleson, S. G.↗

DOE OSTI2021

Surface chemistry models for GaAs epitaxial growth and hydride cracking using reacting flow simulations

Hydride vapor phase epitaxy (HVPE) is a promising technology that can aid in the cost reduction of III-V materials and devices manufacturing, particularly high-efficiency solar cells for space and terrestrial applications. However, recent demonstrations of ultrafast growth rates (~500 µm/h) via uncracked hydrides are not well described by present models for the growth. Therefore, it is necessary to understand the kinetics of the growth process and its coupling with transport phenomena, so as to enable fast and uniform epitaxial growth. In this work, we derive a kinetic model using experimental data and integrate it into a computational fluid dynamics simulation of an HVPE growth reactor. We also modify an existing hydride cracking model that we validate against numerical simulations and experimental data. Here, we show that the developed growth model and the improved cracking model are able to reproduce experimental growth measurements of GaAs in an existing HVPE system.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS↗

DOE OSTI2019

Updated Groundwater Flow Simulations of the Savannah River Site General Separations Area

The groundwater flow model supporting Performance Assessments (PAs) and Composite Analyses (CAs) at the Savannah River Site was significantly revised in 2016 and 2017 using new hydrostratigraphic surfaces, updated well water level calibration targets, and semi-automated model calibration with the PEST optimization code. This model is referred to as “GSA_2016”. This report documents further refinement of the GSA_2016 model in 2018 to incorporate updates to model calibration targets, closure of the H-Area Ash Basin, construction of E-Area Slit Trench operational covers, and plume information from the Mixed Waste Management Facility and Low-Level Radioactive Waste Disposal Facility. Another objective was to lower hydraulic head residuals by adding another calibration zone. The resulting model is referred to as “GSA_2018”.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1987

A Navier-Stokes flow simulation of the Space Shuttle Main Engine Hot Gas Manifold

Incompressible viscous flow inside the turnaround duct, the fuel bowl, the transfer duct and the racetrack of the Space Shuttle Main Engine (SSME) Hot Gas Manifold (HGM) has been computed using the method of pseudo-compressibility together with an implicit, approximate-factorization algorithm. A multiple-zone method is used to make solution of flows in complex geometries easy. A model which predicts the pressure loading for the shield and the injector post arrangement without solving the complex flow field in the main injector region is proposed. The computed results show good qualitative agreement with experimental data.

Yang, Ruey-Jen↗

NASA NTRS1987

High definition graphics application in fluid flow simulations

NASA Ames is using high spatial/color-resolution computer graphics to interactively visualize flow fields generated by supercomputer solutions for the flow about such vehicles as the Space Shuttle. The scientist's viewing position in three-dimensional space can be interactively changed while the fluid flow is either frozen or moving in time. Animated sequences can then be made for workstation viewing with the aid of specialized software that allows easy editing and automatic 'tweening' of the sequences. Attention is presently given to the software generating the three-dimensional flow field displays, as well as that for creating the animation sequences.

Bancroft, Gordon↗