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DOE OSTI2022

Unsupervised discovery of nonlinear plasma physics using differentiable kinetic simulations

Plasma supports collective modes and particle–wave interactions that lead to complex behaviour in, for example, inertial fusion energy applications. While plasma can sometimes be modelled as a charged fluid, a kinetic description is often crucial for studying nonlinear effects in the higher-dimensional momentum–position phase space that describes the full complexity of the plasma dynamics. We create a differentiable solver for the three-dimensional partial-differential equation describing the plasma kinetics and introduce a domain-specific objective function. Using this framework, we perform gradient-based optimization of neural networks that provide forcing function parameters to the differentiable solver given a set of initial conditions. We apply this to an inertial-fusion-relevant configuration and find that the optimization process exploits a novel physical effect.

plasma nonlinear phenomena↗

DOE OSTI2024

Learning Nonlinear Reduced Models from Data with Operator Inference

This review discusses Operator Inference, a nonintrusive reduced modeling approach that incorporates physical governing equations by defining a structured polynomial form for the reduced model, and then learns the corresponding reduced operators from simulated training data. The polynomial model form of Operator Inference is sufficiently expressive to cover a wide range of nonlinear dynamics found in fluid mechanics and other fields of science and engineering, while still providing efficient reduced model computations. The learning steps of Operator Inference are rooted in classical projection-based model reduction; thus, some of the rich theory of model reduction can be applied to models learned with Operator Inference. This connection to projection-based model reduction theory offers a pathway toward deriving error estimates and gaining insights to improve predictions. Furthermore, through formulations of Operator Inference that preserve Hamiltonian and other structures, important physical properties such as energy conservation can be guaranteed in the predictions of the reduced model beyond the training horizon. This review illustrates key computational steps of Operator Inference through a large-scale combustion example.

Mechanics↗

DOE OSTI2021

Numerical Investigation of Enhanced Dehumidification Processes By Using Dielectrophoresis Principles in Moist Airflows

Dispersed particle-laden flows are encountered in many building and industrial applications, such as flow in a fluidized bed, hydrocarbon transportation in pipelines, and the fouling of air-cooled heat exchangers (Kuruneru et al., 2016; Ray et al., 2019; Wang et al., 2019). Computational fluid dynamic (CFD) models have been developed in recent years to depict particle-fluid and particle-particle interactions in laminar or turbulent flows with increasing accuracy and stability. One particular particle-laden system of interest for moisture control is electrically-enhanced condensation in air and water droplet flows. Electrically-enhanced condensation consists of the use of highly charged water droplets injected in the moist air. The droplets become electric seeds that attract polar water vapor molecules to their surfaces and promote condensation. The nucleation and growth of the charged droplets deplete the vapor phase near a droplet, which is compensated for by the dielectrophoresis flow and diffusion. Dielectrophoresis flow involves surrounding vapor at a distance of about 10 to 100 nm for droplets charged by an electrospray compared to ~2 nm for a single electron charge in a droplet. As the vapor molecules collapse on the surface of the droplets, their initial electrical charge decreases with time due to the neutralization of the ions. While the physics of this phenomena is well known, engineering models for predicting the condensation rates are not available. This work computationally investigates dehumidification of moist airflow in a converging rectangular duct. The objective is to develop an engineering model that predicts water vapor condensation by employing dielectrophoresis principles. We construct a Computational Fluid Dynamics (CFD) model of the duct with electrically-enhanced condensation. The model is implemented in the open-source software OpenFOAM. We utilize the Multi-Phase Particle-In-Cell (MP-PIC) method coupled with a Population Balance Equation (PBE) approach to simulate the particle-laden system. This methodology is an Eulerian-Lagrangian approach used to simulate the droplets' behavior in the humid air. The MP-PIC approach (Andrews and O'Rourke, 1996) mitigates the computational cost by parceling several fundamental particles with similar properties (such as types, sizes, and temperature) into one computational particle. Thus, the billions of particles can be substituted by millions of computational particles without significant loss of information. The PBE was considered with the Lagrangian frame to combine the particle distribution function used in MP-PIC (Kim et al., 2020). This approach preserves mass and energy conservation between the phases in the Eulerian and Lagrangian structures. The PBE in this procedure was directly linked to the discrete parcels, making the simulation of the particle distribution computationally efficient and robust. The MP-PIC-PBE approach used in the present work was applied to the dehumidification of air. Water droplets were injected in the air stream and forced to grow according to experimentally derived correlation. The experiments were conducted on a converging duct with the same geometry and boundary conditions used to build the CFD model. This approach enabled us to approximate the effect of dielectrophoresis phenomena on the droplet and air interface. This presentation will discuss the details of the new CFD model built for the duct, the implementation of the model in OpenFOAM CFD programming language, and the experimental validation of the newly developed model. The results revealed a moderate yet measurable increase in droplet diameter due to water vapor condensation at the vapor-liquid interface of the electrically charged droplets' surface. The seed water droplet particles grew in size by capturing the water vapor in the surrounding air. The OpenFOAM model predicted reductions of humidity in the air from 5 to 10 percent.

Yel Mahi, Maliha↗

NASA NTRS1976

Flame stability in combusting turbulent jets

The paper develops a model for the stability of turbulent methane/air flames on the assumption that reaction kinetics is much more important than the fluid dynamics near blowout. Flame stability is predicted as a function of ambient atmospheric temperature and composition, initial preheat temperature, and the percentage of external product gas recirculation. A one-step reaction and a well-stirred reactor are used to equate the rate at which the mass is supplied to the flame to the rate at which the mass chemically reacts in the flame.

Nelson, H. F.↗

NASA NTRS1988

An investigation of turbulence models

The accuracy to which a turbulent boundary layer or wake can be predicted numerically depends on the validity of the turbulence closure model used. The modeling of turbulence physics is one of the most difficult problems in computational fluid dynamics (CFD). In fact, it is one of the pacing factors in the development of CFD. In general, there are three main approaches to the description of trubulence physics. First is turbulence modeling in which the Reynolds averaged Navier-Stokes equations are used and some closure approximation is made for the Reynolds stresses. A second approach to turbulence is large eddy simulation (LES) in which the computational mesh is taken to be fine enough that the large scale structure of the turbulence can be calculated directly. An empirical assumption must be made for the small scale sub-grid turbulence. The third approach is direct simulation. In this technique the Navier-Strokes equations are solved directly on a mesh which if fine enough to resolve the smallest length scale of the turbulence. The Reynolds averaged equations are not used and no closure assumption is required. These last two approaches require extensive computer resources and as such are not engineering tools. The purpose of the work was to investigate the various engineering turbulence models for accuracy and ease of programming. This involved comparison of the models with each other and with experimental data.

Doria, Michael L.↗

NASA NTRS1988

Adaptive implicit-explicit finite element algorithms for fluid mechanics problems

The adaptive implicit-explicit (AIE) approach is presented for the finite-element solution of various problems in computational fluid mechanics. In the AIE approach, the elements are dynamically (adaptively) arranged into differently treated groups. The differences in treatment could be based on considerations such as the cost efficiency, the type of spatial or temporal discretization employed, the choice of field equations, etc. Several numerical tests are performed to demonstrate that this approach can achieve substantial savings in CPU time and memory.

Tezduyar, T. E.↗

NASA NTRS2001

The SHIVA Project: Spaceflight Holography in a Virtual Apparatus

The poster summarizes theoretical and experimental concepts used in the development of the proposed NASA flight experiment SHIVA (Spaceflight Holography in a Virtual Apparatus). SHIVA exploits a unique holography-based, diagnostics tools to understand the behavior of small particles subjected to transient accelerations. Flight experiment protocols and apparatus will test model equations, characterize the acceleration environment and other microgravity phenomena. The primary objective of SHIVA is to enhance the current understanding of complex dynamics of small particles subjected to transient microgravity conditions. Existing theory did not fully describe the movement of particles in fluids in the microgravity environment. Results from recent ground-based experiments and comparison with the model recently developed by Rangel and Coimbra are presented.

Jim Trolinger↗

NASA NTRS2005

Time-Averaged Velocity, Temperature and Density Surveys of Supersonic Free Jets

A spectrally resolved molecular Rayleigh scattering technique was used to simultaneously measure axial component of velocity U, static temperature T, and density p in unheated free jets at Mach numbers M = 0.6,0.95, 1.4 and 1.8. The latter two conditions were achieved using contoured convergent-divergent nozzles. A narrow line-width continuous wave laser was passed through the jet plumes and molecular scattered light from a small region on the beam was collected and analyzed using a Fabry-Perot interferometer. The optical spectrum analysis air density at the probe volume was determined by monitoring the intensity variation of the scattered light using photo-multiplier tubes. The Fabry-Perot interferometer was operated in the imaging mode, whereby the fringe formed at the image plane was captured by a cooled CCD camera. Special attention was given to remove dust particles from the plume and to provide adequate vibration isolation to the optical components. The velocity profiles from various operating conditions were compared with that measured by a Pitot tube. An excellent comparison within 5m's demonstrated the maturity of the technique. Temperature was measured least accurately, within 10K, while density was measured within 1% uncertainty. The survey data consisted of centerline variations and radial profiles of time-averaged U, T and p. The static temperature and density values were used to determine static pressure variations inside the jet. The data provided a comparative study of jet growth rates with increasing Mach number. The current work is part of a data-base development project for Computational Fluid Dynamics and Aeroacoustics codes that endeavor to predict noise characteristics of high speed jets. A limited amount of far field noise spectra from the same jets are also presented. Finally, a direct experimental validation was obtained for the Crocco-Busemann equation which is commonly used to predict temperature and density profiles from known velocity profiles. Data presented in this paper are available in ASCII format upon request.

Panda, Jayanta↗

NASA NTRS2015

A Survey of the Isentropic Euler Vortex Problem Using High-Order Methods

The flux reconstruction (FR) method offers a simple, efficient, and easy to implement method, and it has been shown to equate to a differential approach to discontinuous Galerkin (DG) methods. The FR method is also accurate to an arbitrary order and the isentropic Euler vortex problem is used here to empirically verify this claim. This problem is widely used in computational fluid dynamics (CFD) to verify the accuracy of a given numerical method due to its simplicity and known exact solution at any given time. While verifying our FR solver, multiple obstacles emerged that prevented us from achieving the expected order of accuracy over short and long amounts of simulation time. It was found that these complications stemmed from a few overlooked details in the original problem definition combined with the FR and DG methods achieving high-accuracy with minimal dissipation. This paper is intended to consolidate the many versions of the vortex problem found in literature and to highlight some of the consequences if these overlooked details remain neglected.

High-Order↗

DOE OSTI2024

A computational analysis of effective R-values of buried ducts – the dynamic performance of buried ducts

Here, this paper evaluates the thermal performance of ducts partially or fully buried in loose-fill attic insulation. The overall thermal resistance between the ducts and the attic is referred to as an effective R-value. This paper shows a strong dependency of assumed attic temperature on the effective R-value. Based on the results, the effective R-value can be about twice as much with an attic temperature of 130 °F [54.4 °C], compared to when the attic temperature is 80 °F [26.7 °C]. Thus, this paper provides a polynomial regression equation based on a large set of simulations to determine the effective R-value of buried ducts depending on attic temperature and whether the HVAC system runs in cooling or heating mode. Further, the work presented in this paper investigated the potential impact of convective airflow within the attic insulation, particularly around the ducts. The analysis was based on computational fluid dynamics (CFD) and indicated that convectional forces are presented around the exterior surface of the ducts, but with negligible impact on the overall heat balance between the duct and the attic space.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1986

Local interstellar gasdynamical stability in spiral arm flow

The stability of two-dimensional interstellar gas flow passing through a spiral potential has been investigated. The background flow is assumed to move in a tightly wound potential, which may be regarded as external or self-generated. The unperturbed flow, which may be time dependent, is self-gravitating and satisfies the Roberts equations of motion. A polytropic, single-fluid assumption has been used. Magnetic effects are not considered. The motivation behind this work is to try to understand how much of the diversity of spiral arm morphology can be understood by large scale gas dynamical processes alone. To this end, it is suggested that spurring and feathering, and forming molecular cloud complexes may be closely related in the sense of having dynamically similar origins.

Balbus, S. A.↗

NASA NTRS1991

Generating Three-Dimensional Grids About Anything

Three-Dimensional Grids About Anything by Poisson's Equation (3DGRAPE) computer program designed to make computational grids in or about almost any shape. Generated by solution of Poisson's differential equations in three dimensions. Program automatically finds its own values for inhomogeneous terms giving near-orthogonality and controlled grid-cell height at boundaries. Grids generated applied to both viscous and inviscid aerodynamic problems, and to problems in other areas of fluid dynamics. Written in 100 percent FORTRAN 77.

Sorenson, Reese L.↗

NASA NTRS2003

Study of Unsteady Flows with Concave Wall Effect

This paper presents computational fluid dynamic studies of the inlet turbulence and wall curvature effects on the flow steadiness at near wall surface locations in boundary layer flows. The time-stepping RANS numerical solver of the NASA Glenn-HT RANS code and a one-equation turbulence model, with a uniform inlet turbulence modeling level of the order of 10 percent of molecular viscosity, were used to perform the numerical computations. The approach was first calibrated for its predictabilities of friction factor, velocity, and temperature at near surface locations within a transitional boundary layer over concave wall. The approach was then used to predict the velocity and friction factor variations in a boundary layer recovering from concave curvature. As time iteration proceeded in the computations, the computed friction factors converged to their values from existing experiments. The computed friction factors, velocity, and static temperatures at near wall surface locations oscillated periodically in terms of time iteration steps and physical locations along the span-wise direction. At the upstream stations, the relationship among the normal and tangential velocities showed vortices effects on the velocity variations. Coherent vortices effect on the velocity components broke down at downstream stations. The computations also predicted the vortices effects on the velocity variations within a boundary layer flow developed along a concave wall surface with a downstream recovery flat wall surface. It was concluded that the computational approach might have the potential to analyze the flow steadiness in a turbine blade flow.

Wang, Chi R.↗

NASA NTRS1987

Selection principles and pattern formation in fluid mechanics and nonlinear shell theory

Wave theories of vortex breakdown were studied. A setting which involved dynamical systems and bifurcations of homoclinic and heteroclinic orbits in infinite-dimensional spaces was investigated. The determination of axisymmetric inviscid flows bifurcating from the primary flow lead to the study of a system of ordinary differential equations. The problem of rotating plane Couette flow was solved by means of the structure parameter approach.

Sather, Duane P.↗

NASA NTRS2023

Assessment of the Fluid Dynamics Boundary Condition in Ablating or Blowing Flows

Improved models of ablative thermal protection systems have enabled the treatment of materials and fluid behavior in a coupled manner. This paper reports a new approach to modeling the interface between fluid and material, with attention to the conservation of species mass flux and energy on the fluid side of the interface. The general equation is presented and is shown to recover the traditional uncoupled fluid/materials response interface. Including the chemical reaction terms on the CFD side of the interface makes the heat flux exchange independent of the thermodynamic reference state and, therefore, a measurable quantity. Doing so allows the material response solver to take as input the surface heat flux rather than a film coefficient. Removing the film coefficient approximation enables more direct solution of vehicle thermal response but requires consistency in the wall state. The mixing of the shock layer and pyrolysis gas is then computed with finite rate chemistry within the fluid solver. The boundary conditions described have been implemented in the DPLR v4.05.1 code. Char removal is captured using finite rate chemistry in DPLR’s gas surface interaction module. Aspects of coupling these solutions to material response are discussed.

Ablation↗

NASA NTRS2023

Assessment of the Fluid Dynamics Boundary Condition in Ablating or Blowing Flows

Ablation↗

DOE OSTI2024

Neutron transport methods for multiphysics heterogeneous reactor core simulation in Griffin

Griffin is a reactor physics application based on the Multiphysics Object-Oriented Simulation Environment (MOOSE). This work discloses the methods, algorithms, and implementation for simulating heterogeneous reactor dynamics models. Griffin utilizes a discontinuous finite-element method with discrete ordinates (DFEM-S ) to discretize the field variable of the multigroup neutron transport equation. Multiphysics feedback is handled using two-step tabulated cross-section methodology. Feedback quantities are evaluated using the MOOSE-MultiApp system to couple various engineering phenomena, such as heat conduction and thermal fluids. The multiphysics DFEM-S system is solved using fixed-point iteration with a fully asynchronous parallel sweeper, unstructured coarse-mesh finite difference acceleration, and a multi-timescale improved quasi-static method scheme. The implementation is applied to a multiphysics microreactor model, with two transients: one initiated by a single heat-pipe failure and another by control drum rotation. Importantly, these examples demonstrate the ability of Griffin to tractably solve the neutron transport equation considering seven independent variables and feedback.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1981

Dynamic behavior of continuous cantilevered pipes conveying fluid near critical velocities

The plane motion of a cantilevered pipe conveying fluid is examined when the flow velocity is in the neighborhood of that generating flutter. In contrast to previous studies, the flow velocity is not prescribed as a constant, but is determined from the laws of motion. A system of two nonlinear partial differential equations which are coupled through the nonlinear terms is thereby obtained. The solution is found by the use of the Krylov-Bogoliubov averaging method and the results are discussed indicating the effect of nonlinearities.

Rousselet, J.↗