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NASA NTRS1994

An analysis code for the Rapid Engineering Estimation of Momentum and Energy Losses (REMEL)

Nonideal behavior has traditionally been modeled by defining efficiency (a comparison between actual and isentropic processes), and subsequent specification by empirical or heuristic methods. With the increasing complexity of aeropropulsion system designs, the reliability of these more traditional methods is uncertain. Computational fluid dynamics (CFD) and experimental methods can provide this information but are expensive in terms of human resources, cost, and time. This report discusses an alternative to empirical and CFD methods by applying classical analytical techniques and a simplified flow model to provide rapid engineering estimates of these losses based on steady, quasi-one-dimensional governing equations including viscous and heat transfer terms (estimated by Reynold's analogy). A preliminary verification of REMEL has been compared with full Navier-Stokes (FNS) and CFD boundary layer computations for several high-speed inlet and forebody designs. Current methods compare quite well with more complex method results and solutions compare very well with simple degenerate and asymptotic results such as Fanno flow, isentropic variable area flow, and a newly developed, combined variable area duct with friction flow solution. These solution comparisons may offer an alternative to transitional and CFD-intense methods for the rapid estimation of viscous and heat transfer losses in aeropropulsion systems.

Dechant, Lawrence J.↗

DOE OSTI2022

Fluid Dynamics of Axial Turbomachinery: Blade- and Stage-Level Simulations and Models

The current generation of axial turbomachines is the culmination of decades of experience, and detailed understanding of the underlying flow physics has been a key factor for achieving high efficiency and reliability. Driven by advances in numerical methods and relentless growth in computing power, computational fluid dynamics has increasingly provided insights into the rich fluid dynamics involved and how it relates to loss generation. This article presents some of the complex flow phenomena occurring in bladed components of gas turbines and illustrates how simulations have contributed to their understanding and the challenges they pose for modeling. The interaction of key aerodynamic features with deterministic unsteadiness, caused by multiple blade rows, and stochastic unsteadiness, i.e., turbulence, is discussed. High-fidelity simulations of increasingly realistic configurations and models improved with help of machine learning promise to further grow turbomachinery performance and reliability and, thus, help fluid mechanics research have a greater industrial impact.

Mechanics↗

DOE OSTI2014

Phase separation in solutions with specific and nonspecific interactions

Protein solutions, which tend to be thermodynamically stable under physiological conditions, can demix into protein-enriched and protein-depleted phases when stressed. Using a lattice-gas model of proteins with both isotropic and specific, directional interactions, we calculate the critical conditions for phase separation for model proteins with up to four patches via Monte Carlo simulations and statistical associating fluid theory. Given a fixed specific interaction strength, the critical value of the isotropic energy, which accounts for dispersion forces and nonspecific interactions, measures the stability of the solution with respect to nonspecific interactions. Phase separation is suppressed by the formation of protein complexes, which effectively passivate the strongly associating sites on the monomers. Nevertheless, we find that protein models with three or more patches can form extended aggregates that phase separate despite the assembly of passivated complexes, even in the absence of nonspecific interactions. We present a unified view of the critical behavior of model fluids with anisotropic interactions, and we discuss the implications of these results for the thermodynamic stability of protein solutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1995

On the spatial distribution of magnetic fields on the solar surface

Recent measurements of solar surface magnetic fields suggest that the spatial distribution of these fields is fractal. In order to understand the physical basis for such geometric complexity, we study here the advection of magnetic flux tubes relatively simple random motions on the surface of a fluid and investigate the spatial statistics of the resulting surface field. While this study does not directly address the question of why solar surface fields have the observed spatial structure, it is designed to build our intuition about how surface flows lead to complex spatial structuring of magnetic fields. As part of our study, we discuss the various methods by which one can describe the spatial distribution of the surface magnetic flux and relate them mathematically; this turns out to be a crucial point of our work since, as we show, a number of previous analyses have misinterpreted the analysis procedures for determining fractal dimensions. Our principal result is the explicit demonstration that simple random flows lead to magnetic flux spatial distributions with a multifractal dimension spectrum. Furthermore, we demonstrate that this magnetic spatial structure is generic, i.e., is characteristic of a very large class of random flows.

Tao, L.↗

DOE OSTI2024

ExaWind: Open‐source CFD for hybrid‐RANS/LES geometry‐resolved wind turbine simulations in atmospheric flows

Abstract Predictive high‐fidelity modeling of wind turbines with computational fluid dynamics, wherein turbine geometry is resolved in an atmospheric boundary layer, is important to understanding complex flow accounting for design strategies and operational phenomena such as blade erosion, pitch‐control, stall/vortex‐induced vibrations, and aftermarket add‐ons. The biggest challenge with high‐fidelity modeling is the realization of numerical algorithms that can capture the relevant physics in detail through effective use of high‐performance computing. For modern supercomputers, that means relying on GPUs for acceleration. In this paper, we present ExaWind, a GPU‐enabled open‐source incompressible‐flow hybrid‐computational fluid dynamics framework, comprising the near‐body unstructured grid solver Nalu‐Wind, and the off‐body block‐structured‐grid solver AMR‐Wind, which are coupled using the Topology Independent Overset Grid Assembler. Turbine simulations employ either a pure Reynolds‐averaged Navier–Stokes turbulence model or hybrid turbulence modeling wherein Reynolds‐averaged Navier–Stokes is used for near‐body flow and large eddy simulation is used for off‐body flow. Being two‐way coupled through overset grids, the two solvers enable simulation of flows across a huge range of length scales, for example, 10 orders of magnitude going from O(μm) boundary layers along the blades to O(10 km) across a wind farm. In this paper, we describe the numerical algorithms for geometry‐resolved turbine simulations in atmospheric boundary layers using ExaWind. We present verification studies using canonical flow problems. Validation studies are presented using megawatt‐scale turbines established in literature. Additionally presented are demonstration simulations of a small wind farm under atmospheric inflow with different stability states.

17 WIND ENERGY↗

NASA NTRS1999

Interfacing a General Purpose Fluid Network Flow Program with the SINDA/G Thermal Analysis Program

A general purpose, one dimensional fluid flow code is currently being interfaced with the thermal analysis program Systems Improved Numerical Differencing Analyzer/Gaski (SINDA/G). The flow code, Generalized Fluid System Simulation Program (GFSSP), is capable of analyzing steady state and transient flow in a complex network. The flow code is capable of modeling several physical phenomena including compressibility effects, phase changes, body forces (such as gravity and centrifugal) and mixture thermodynamics for multiple species. The addition of GFSSP to SINDA/G provides a significant improvement in convective heat transfer modeling for SINDA/G. The interface development is conducted in multiple phases. This paper describes the first phase of the interface which allows for steady and quasi-steady (unsteady solid, steady fluid) conjugate heat transfer modeling.

Schallhorn, Paul↗

DOE OSTI2019

A two-phase substrate model for enzymatic hydrolysis of lignocellulose: application to batch and continuous reactors

Abstract Background Enzymatic hydrolysis continues to have a significant projected production cost for the biological conversion of biomass to fuels and chemicals, motivating research into improved enzyme and reactor technologies in order to reduce enzyme usage and equipment costs. However, technology development is stymied by a lack of accurate and computationally accessible enzymatic-hydrolysis reaction models. Enzymatic deconstruction of cellulosic materials is an exceedingly complex physico-chemical process. Models which elucidate specific mechanisms of deconstruction are often too computationally intensive to be accessible in process or multi-physics simulations, and empirical models are often too inflexible to be effectively applied outside of their batch contexts. In this paper, we employ a phenomenological modeling approach to represent rate slowdown due to substrate structure (implemented as two substrate phases) and feedback inhibition, and apply the model to a continuous reactor system. Results A phenomenological model was developed in order to predict glucose and solids concentrations in batch and continuous enzymatic-hydrolysis reactors from which liquor is continuously removed by ultrafiltration. A series of batch experiments were performed, varying initial conditions (solids, enzyme, and sugar concentrations), and best-fit model parameters were determined using constrained nonlinear least-squares methods. The model achieved a good fit for overall sugar yield and insoluble solids concentration, as well as for the reduced rate of sugar production over time. Additionally, without refitting model coefficients, good quantitative agreement was observed between results from continuous enzymatic-hydrolysis experiments and model predictions. Finally, the sensitivity of the model to its parameters is explored and discussed. Conclusions Although the phenomena represented by the model correspond to behaviors that emerge from clusters of mechanisms, and hence a set of model coefficients are unique to the substrate and the enzyme system, the model is efficient to solve and may be applied to novel reactor schema and implemented in computational fluid dynamics (CFD) simulations. Hence, this modeling approach finds the right balance between model complexity and computational efficiency. These capabilities have broad application to reactor design, scale-up, and process optimization.

09 BIOMASS FUELS↗

NASA NTRS2018

Gas-Granular Simulation Framework for Spacecraft Landing Plume-Surface Interaction and Debris Transport Analysis

The Gas-Granular Flow Solver (GGFS) multi-phase flow computational framework has been developed to enable simulations of particle flows complex extra-terrestrial regolith materials. Particle flows of interest include the damage of unprepared landing sites from rocket plume impingement on Moon, Mars, and asteroids. The flow solver implements an Eulerian-Eulerian two-fluid model with fluid representation of the gas phase and granular phase to avoid the need to model billions of particle interactions. The granular phase is modeled as an Eulerian fluid with constituent physics closure models derived from first-principle Discrete Element Model (DEM) particle interaction simulations that capture the complex, non-linear granular particle interaction effects. Granular phase constituent models have been developed and integrated that address the complex, non-linear granular material mechanics complexities resulting from both: the irregular, jagged particle shapes and poly-disperse mixture effects encountered in extra-terrestrial regolith, with lunar regolith as the extreme. The GGFS capabilities are being integrated into a proven NASA plume-surface interaction and debris transport simulation framework featuring the Loci/CHEM CFD program and Debris Transport Analysis (DTA) post-processing tools for applications in robotic and human Moon and Mars lander development. Integration of the three simulation tool components. Loci/CHEM, GGFS, and DTA, into a coordinated simulation framework will enable time-accurate spacecraft landing simulations that account for the alteration of the landing surface through plume-induced cratering and the resulting redirection of plume impingement flow and debris transport. Initial implementation of this simulation framework and application examples will be presented.

Liever, Peter A.↗

DOE OSTI2020

The Complexity of Nonlinear Flow and non-Fickian Transport in Fractures Driven by Three-Dimensional Recirculation Zones

Subsurface fluid flow and solute transport are typically described by first-order or linear rate laws. However, deviations from the first-order rate laws (or anomalous behavior) are typical and lead to nonlinear flow and non-Fickian transport phenomena. The shared underlying mechanisms for these “anomalous” flow and transport phenomena, which are actually typical of fractures, are seldom analyzed. We investigated the co-occurrence of nonlinear flow and non-Fickian transport through numerical simulation experiments of pore-scale flow and solute transport processes through three-dimensional natural fractures. In these fractures, 3-D recirculation zones (RZs) developed and grew with increasing flow rates. Flow nonlinearity resulted from the RZ development and growth, which shrank the main flow channel. Moreover, the same RZs also captured solutes from the main flow channel and released them back later. This retardation resulted in non-Fickian transport. Thus, nonlinear flow and non-Fickian transport are intertwined via their shared dependence on RZs.

58 GEOSCIENCES↗

DOE OSTI2020

Probing complex geophysical geometries with chattering dust

Abstract The modern energy economy and environmental infrastructure rely on the flow of fluids through fractures in rock. Yet this flow cannot be imaged directly because rocks are opaque to most probes. Here we apply chattering dust, or chemically reactive grains of sucrose containing pockets of pressurized carbon dioxide, to study rock fractures. As a dust grain dissolves, the pockets burst and emit acoustic signals that are detected by distributed sets of external ultrasonic sensors that track the dust movement through fracture systems. The dust particles travel through locally varying fracture apertures with varying speeds and provide information about internal fracture geometry, flow paths and bottlenecks. Chattering dust particles have an advantage over chemical sensors because they do not need to be collected, and over passive tracers because the chattering dust delineates the transport path. The current laboratory work has potential to scale up to near-borehole applications in the field.

58 GEOSCIENCES↗

NASA NTRS2012

Methods for Computationally Efficient Structured CFD Simulations of Complex Turbomachinery Flows

This research presents more efficient computational methods by which to perform multi-block structured Computational Fluid Dynamics (CFD) simulations of turbomachinery, thus facilitating higher-fidelity solutions of complicated geometries and their associated flows. This computational framework offers flexibility in allocating resources to balance process count and wall-clock computation time, while facilitating research interests of simulating axial compressor stall inception with more complete gridding of the flow passages and rotor tip clearance regions than is typically practiced with structured codes. The paradigm presented herein facilitates CFD simulation of previously impractical geometries and flows. These methods are validated and demonstrate improved computational efficiency when applied to complicated geometries and flows.

Herrick, Gregory P.↗

NASA NTRS2018

Validation of Heat Transfer Correlations in Line Chill-Down Tests of Cryogenic Fluid in SINDA/FLUINT

Line chill-down is an important process in cryogenic tank propellant management, storage, and usage Complex flow dynamics during these processes: boiling heat transfer (film, transition, and nucleate) Understanding boiling phenomena can lead to efficient line chill-down systems that use less propellant, propellant stored, reducing cost for space missions Line Chill-down heat transfer was modelled using SINDA/FLUINT version 5.8 (SF) Multiple chill-down tests were modelled using: heat transfer correlations readily available in SF using HTN/HTC TIES heat transfer empiricisms developed by the University of Florida (UF) based on a series of liquid nitrogen chill-down tests using SF HTU TIES Chill-down tests modelled: liquid nitrogen tests conducted by the University of Florida horizontal flow, upward flow, and downward flow (Reynolds Numbers ranging 850-231,000)liquid hydrogen tests conducted by NASA Glenn Research Center vertical upward flow (Reynolds Number range of 18,400 - 433,000)The flow rate was measured far downstream of the test section, near the system exit. Where to set the flow rate? SF was highly sensitive, and sometime unstable, setting the test flow rate downstream (the outlet) of the test section model and setting the test pressure upstream (the inlet) of the test section model higher flow rate oscillations at the entrance of the model's test section SF was more stable setting the test flow rate upstream (than the downstream flow rate set case)test pressure was used as an inlet (SF plenum) to set the thermodynamic state (temperature and quality) coming into the system setting the appropriate downstream pressure was the unknown. The pressure drops predicted by SF for the downstream set flow rate boundary condition were much smaller than test section measured pressure drops. The multiphase pressure drop correlations used internally in SF may need to be adjusted. Models with an upstream flow rate set assumed a pressure drop that was small

cryogenic modeling↗

NASA NTRS2005

CFD Multiphysics Tool

The recent bold initiatives to expand the human presence in space require innovative approaches to the design of propulsion systems whose underlying technology is not yet mature. The space propulsion community has identified a number of candidate concepts. A short list includes solar sails, high-energy-density chemical propellants, electric and electromagnetic accelerators, solar-thermal and nuclear-thermal expanders. For each of these, the underlying physics are relatively well understood. One could easily cite authoritative texts, addressing both the governing equations, and practical solution methods for, e.g. electromagnetic fields, heat transfer, radiation, thermophysics, structural dynamics, particulate kinematics, nuclear energy, power conversion, and fluid dynamics. One could also easily cite scholarly works in which complete equation sets for any one of these physical processes have been accurately solved relative to complex engineered systems. The Advanced Concepts and Analysis Office (ACAO), Space Transportation Directorate, NASA Marshall Space Flight Center, has recently released the first alpha version of a set of computer utilities for performing the applicable physical analyses relative to candidate deep-space propulsion systems such as those listed above. PARSEC, Preliminary Analysis of Revolutionary in-Space Engineering Concepts, enables rapid iterative calculations using several physics tools developed in-house. A complete cycle of the entire tool set takes about twenty minutes. PARSEC is a level-zero/level-one design tool. For PARSEC s proof-of-concept, and preliminary design decision-making, assumptions that significantly simplify the governing equation sets are necessary. To proceed to level-two, one wishes to retain modeling of the underlying physics as close as practical to known applicable first principles. This report describes results of collaboration between ACAO, and Embry-Riddle Aeronautical University (ERAU), to begin building a set of level-two design tools for PARSEC. The "CFD Multiphysics Tool" will be the propulsive element of the tool set. The name acknowledges that space propulsion performance assessment is primarily a fluid mechanics problem. At the core of the CFD Multiphysics Tool is an open-source CFD code, HYP, under development at ERAU. ERAU is renowned for its undergraduate degree program in Aerospace Engineering the largest in the nation. The strength of the program is its applications-oriented curriculum, which culminates in one of three two-course Engineering Design sequences: Aerospace Propulsion, Spacecraft, or Aircraft. This same philosophy applies to the HYP Project, albeit with fluid physics modeling commensurate with graduate research. HYP s purpose, like the Multiphysics Tool s, is to enable calculations of real (three-dimensional; geometrically complex; intended for hardware development) applications of high speed and propulsive fluid flows.

Perrell, Eric R.↗

NASA NTRS1995

Advanced Methodology for Simulation of Complex Flows Using Structured Grid Systems

Detailed simulations of viscous flows in complicated geometries pose a significant challenge to current capabilities of Computational Fluid Dynamics (CFD). To enable routine application of CFD to this class of problems, advanced methodologies are required that employ (a) automated grid generation, (b) adaptivity, (c) accurate discretizations and efficient solvers, and (d) advanced software techniques. Each of these ingredients contributes to increased accuracy, efficiency (in terms of human effort and computer time), and/or reliability of CFD software. In the long run, methodologies employing structured grid systems will remain a viable choice for routine simulation of flows in complex geometries only if genuinely automatic grid generation techniques for structured grids can be developed and if adaptivity is employed more routinely. More research in both these areas is urgently needed.

Steinthorsson, Erlendur↗

DOE OSTI2020

Spectral Element Applications in Complex Nuclear Reactor Geometries: Tet-to-Hex Meshing

The spectral element code Nek5000 is an open-source, higher-order computational fluid dynamics code developed at Argonne National Laboratory. It is designed to solve incompressible Navier-Stokes equations, but it also has a low-Mach-number approximation feature available. Large eddy simulation is approached by explicit filtering of the velocity field (and other fields) to mimic the effect of dissipation due to the unresolved scale. The computational domain is decomposed into second-order hexahedral elements that conform to the boundaries. However, generating a high-quality pure-hexahedral mesh can be challenging for some problems. For simple geometries, traditional blocking methods can be used to decompose the domain into smaller blocks to generate a so-called structural mesh. A structural mesh can maintain good orthogonality but can have a highly skewed mesh to conform to the geometry, as well as unnecessary refinement in the far field. Moreover, for geometries with relative complexity, blocking the geometry becomes impossible. To address these issues, we adopted a let-to-hex strategy to generate a pure hexahedral mesh for Nek5000. First, we generate a pure tetrahedral mesh for the geometry; then we divide one tetrahedral element into four hexahedral elements. A pure tetrahedral mesh could be easily generated for complex geometries by using many current meshing codes. In this paper, we use the commercial codes ANSYS meshing and ANSYSICEM to generate the pure tetrahedral mesh and then convert it to a pure hexahedral mesh. Boundary layers are extruded in ANSYSICEM to maintain near-wall resolution.

ANSYS ICEM↗

DOE OSTI2018

Empirically assessing the potential release of rare earth elements from black shale under simulated hydraulic fracturing conditions

Rare earth elements (REEs) are economically important to modern society and the rapid growth of technologies dependent on REEs has placed considerable economic pressure on their sourcing. This study addresses whether REEs could be released as a byproduct of natural gas extraction from a series of experiments that were designed to simulate hydraulic fracturing of black shale under various pressure (25 and 27.5 MPa) and temperature (50, 90, 130 °C) conditions. The dissolved REEs in the reacted fluids displayed no propensity for the REEs to be released from black shale under high pressure and temperature conditions, a result that is consistent across the different types of fluids investigated. Overall, there was a net loss of REEs from the fluid. These changes in dissolved REEs were greatest at the moment the fluids first contacted the shale and before the high temperature and high pressure conditions were imposed, although the magnitude of these changes (10 -4 μg/g) were small compared to the magnitude of the total REE content present in the solid shale samples (10 2 μg/g). These results highlight the variability and complexity of hydraulic fracturing systems and indicate that REE may not serve as robust tracers for fracturing fluid-shale reactions. Additionally, the results suggest that significant quantities of REEs may not be byproducts of hydraulically fractured shales.

03 NATURAL GAS↗

DOE OSTI2018

Four equation k-omega based turbulence model with algebraic flux for supercritical flows

Hydrocarbon and nuclear fuels will contribute substantially to the growing global energy portfolio for some time to come. At the same time atmospheric carbon levels and economic concerns are increasingly shaping the power generation environment. Supercritical fluid technologies are being investigated to address both concerns. For example, direct fired supercritical CO 2 power cycles offer key advantages for carbon capture and thermal efficiency. Additionally, the supercritical water reactor Generation IV nuclear reactor allows higher power densities and more efficient operation than current pressurized or boiling water reactors. As these technologies are developed, a need exists for accurate, yet cost-effective modeling and simulation solutions to assist with design and safety calculations. Supercritical fluid properties are strongly dependent on temperature which results in a number of unique flow features. Among these features are the complex buoyancy and buoyancy-turbulence interaction behaviors exhibited by supercritical flows that are not found in liquid or gas flows. Therefore, standard turbulence models with current model coefficient values are not likely to be applicable to supercritical fluid flows. The subject of this paper is efficient modeling and simulation of supercritical flows to support nascent technologies growing to maturation and operational deployment. We present a framework for developing Reynolds-Averaged Navier-Stokes turbulence models specifically equipped for the challenges of supercritical flows. A novel formulation of the algebraic heat flux model of the buoyancy production of turbulence term is used with a traditional shear stress transport model. To produce a new turbulence model for supercritical channel flows, the empirical coefficients of the resulting four equation model were calculated from data previously published by other authors regarding upward supercritical flow through heated pipes. The presented SST k t - ω t approach was validated against heated tube experiments to show predictive capabilities in moderate flow conditions, where buoyancy effects are important but not dominating of inertial effects.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2018

Modulating factors of hydrologic exchanges in a large-scale river reach: Insights from three-dimensional computational fluid dynamics simulations

Hyporheic exchange is a critical mechanism shaping hydrological and biogeochemical processes along a river corridor. Recent studies on quantifying the hyporheic exchange were mostly limited to local scales due to field inaccessibility, computational demand, and complexity of geomorphology and subsurface geology. Surface flow conditions and subsurface physical properties are well known factors on modulating the hyporheic exchange, but quantitative understanding of their impacts on the strength and direction of hyporheic exchanges at reach scales is absent. In this study, a high resolution computational fluid dynamics (CFD) model that couples surface and subsurface flow and transport is employed to simulate hyporheic exchanges in a 7-km long reach along the main-stem of the Columbia River. Assuming that the hyporheic exchange does not affect surface water flow conditions due to its negligible magnitude compared to the volume and velocity of river water, we developed a one-way coupled surface and subsurface water flow model using the commercial CFD software STAR-CCM+. The model integrates the Reynolds-averaged Navier-Stokes (RANS) equation solver with a realizable k-e two-layer turbulence model, a two-layer all y^+ wall treatment, and the volume of fluid (VOF) method, and is used to simulate hyporheic exchanges by tracking the free water-air interface as well as flow in the river and the subsurface porous media. The model is validated against measurements from acoustic Doppler current profiler (ADCP) in the stream water and hyporheic fluxes derived from a set of temperature profilers installed across the riverbed. The validated model is then employed to systematically investigate how hyporheic exchanges are influenced by surface water fluid dynamics strongly regulated by upstream dam operations, as well as subsurface structures (e.g. thickness of riverbed and subsurface formation layers) and hydrogeological properties (e.g. permeability). The results suggest that the thickness of riverbed alluvium layer is the dominant factor for reach-scale hyporheic exchanges, followed by the alluvium permeability, the depth of the underlying impermeable layer, and the assumption of hydrostatic pressure.

Bao, Jie↗