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DOE OSTI2023

Helfrich-Hurault elastic instabilities driven by geometrical frustration

Here, the Helfrich-Hurault (HH) elastic instability is a well-known mechanism behind patterns that form as a result of strain upon liquid crystal systems with periodic ground states. In the HH model, layered structures undulate and buckle in response to local, geometric incompatibilities in order to maintain the preferred layer spacing. Classic HH systems include cholesteric liquid crystals under electromagnetic field distortions and smectic liquid crystals under mechanical strains, where both materials are confined between rigid substrates. However, richer phenomena are observed when undulation instabilities occur in the presence of deformable interfaces and variable boundary conditions. Understanding how the HH instability is affected by deformable surfaces is imperative for applying the instability to a broader range of materials. In this review, the HH mechanism is reexamined and special focus is given to how the boundary conditions influence the response of lamellar systems to geometrical frustration. Lamellar liquid crystals confined within a spherical shell geometry are used as the model system. Made possible by the relatively recent advances in microfluidics within the past 15 years, liquid crystal shells are composed entirely of fluid interfaces and have boundary conditions that can be dynamically controlled at will. Past and recent work that exemplifies how topological constraints, molecular anchoring conditions, and boundary curvature can trigger the HH mechanism in liquid crystals with periodic ground states is examined. The review ends by identifying similar phenomena across a wide variety of materials, both biological and synthetic. The fact that the HH mechanism is a generic and often overlooked response of periodic materials to geometrical frustration is highlighted.

42 ENGINEERING↗

NASA NTRS1987

Effects of nozzle-exit boundary-layer conditions on excitability of heated free jets

This paper reports an experimental study on the effects of nozzle-exit boundary-layer conditions on the excitability of heated free jets. The results were obtained at a Mach number 0.8 and total temperatures of 300 K and 670 K. External acoustic excitation was used to excite the jet. The excitation frequencies ranged up to 6 KHZ and the excitation levels were up to 150 dB. A level of 147 dB was used for most of the test points. Nozzle-exit boundary-layer characteristics were controlled by boundary layer tripping upstream of the nozzle exit plane. It has been shown that the free jet mixing rate strongly depends on the boundary-layer characteristics at the nozzle exit. Further, it appears that jets with a thin laminar nozzle-exit boundary layer are more selective about the optimum excitation frequency than those with a thick turbulent nozzle-exit boundary layer. Finally, for the jet of Mach number 0.8, it appears that free jet mixing and development may be controlled by flow excitation as well as by nozzle-exit boundary-layer modifications.

Lepicovsky, J.↗

NASA NTRS2005

Statistical Calibration and Validation of a Homogeneous Ventilated Wall-Interference Correction Method for the National Transonic Facility

Wind tunnel experiments will continue to be a primary source of validation data for many types of mathematical and computational models in the aerospace industry. The increased emphasis on accuracy of data acquired from these facilities requires understanding of the uncertainty of not only the measurement data but also any correction applied to the data. One of the largest and most critical corrections made to these data is due to wall interference. In an effort to understand the accuracy and suitability of these corrections, a statistical validation process for wall interference correction methods has been developed. This process is based on the use of independent cases which, after correction, are expected to produce the same result. Comparison of these independent cases with respect to the uncertainty in the correction process establishes a domain of applicability based on the capability of the method to provide reasonable corrections with respect to customer accuracy requirements. The statistical validation method was applied to the version of the Transonic Wall Interference Correction System (TWICS) recently implemented in the National Transonic Facility at NASA Langley Research Center. The TWICS code generates corrections for solid and slotted wall interference in the model pitch plane based on boundary pressure measurements. Before validation could be performed on this method, it was necessary to calibrate the ventilated wall boundary condition parameters. Discrimination comparisons are used to determine the most representative of three linear boundary condition models which have historically been used to represent longitudinally slotted test section walls. Of the three linear boundary condition models implemented for ventilated walls, the general slotted wall model was the most representative of the data. The TWICS code using the calibrated general slotted wall model was found to be valid to within the process uncertainty for test section Mach numbers less than or equal to 0.60. The scatter among the mean corrected results of the bodies of revolution validation cases was within one count of drag on a typical transport aircraft configuration for Mach numbers at or below 0.80 and two counts of drag for Mach numbers at or below 0.90.

Walker, Eric Lee↗

NASA NTRS2005

Statistical Calibration and Validation of a Homogeneous Ventilated Wall-Interference Correction Method for the National Transonic Facility

Walker, Eric L.↗

DOE OSTI2020

NSFnets (Navier-Stokes flow nets): Physics-informed neural networks for the incompressible Navier-Stokes equations

In the last 50 years there has been a tremendous progress in solving numerically the Navier-Stokes equations using finite differences, finite elements, spectral, and even meshless methods. Yet, in many real cases, we still cannot incorporate seamlessly (multi-fidelity) data into existing algorithms, and for industrial-complexity applications the mesh generation is time consuming and still an art. Moreover, solving ill-posed problems (e.g., lacking boundary conditions) or inverse problems is often prohibitively expensive and requires different formulations and new computer codes. Here, we employ physics-informed neural networks (PINNs), encoding the governing equations directly into the deep neural network via automatic differentiation, to overcome some of the aforementioned limitations for simulating incompressible laminar and turbulent flows. We develop the Navier-Stokes flow nets (NSFnets) by considering two different mathematical formulations of the Navier-Stokes equations: the velocity-pressure (VP) formulation and the vorticity-velocity (VV) formulation. Since this is a new approach, we first select some standard benchmark problems to assess the accuracy, convergence rate, computational cost and flexibility of NSFnets; analytical solutions and direct numerical simulation (DNS) databases provide proper initial and boundary conditions for the NSFnet simulations. The spatial and temporal coordinates are the inputs of the NSFnets, while the instantaneous velocity and pressure fields are the outputs for the VP-NSFnet, and the instantaneous velocity and vorticity fields are the outputs for the VV-NSFnet. This is unsupervised learning and, hence, no labeled data are required beyond boundary and initial conditions and the fluid properties. The residuals of the VP or VV governing equations, together with the initial and boundary conditions, are embedded into the loss function of the NSFnets. No data is provided for the pressure to the VP-NSFnet, which is a hidden state and is obtained via the incompressibility constraint without extra computational cost. Unlike the traditional numerical methods, NSFnets inherit the properties of neural networks (NNs), hence the total error is composed of the approximation, the optimization, and the generalization errors. Here, we empirically attempt to quantify these errors by varying the sampling (“residual”) points, the iterative solvers, and the size of the NN architecture. For the laminar flow solutions, we show that both the VP and the VV formulations are comparable in accuracy but their best performance corresponds to different NN architectures. The initial convergence rate is fast but the error eventually saturates to a plateau due to the dominance of the optimization error. For the turbulent channel flow, we show that NSFnets can sustain turbulence at , but due to expensive training we only consider part of the channel domain and enforce velocity boundary conditions on the subdomain boundaries provided by the DNS data base. We also perform a systematic study on the weights used in the loss function for balancing the data and physics components, and investigate a new way of computing the weights dynamically to accelerate training and enhance accuracy. In the last part, we demonstrate how NSFnets should be used in practice, namely for ill-posed problems with incomplete or noisy boundary conditions as well as for inverse problems. We obtain reasonably accurate solutions for such cases as well without the need to change the NSFnets and at the same computational cost as in the forward well-posed problems. As a result, we also present a simple example of transfer learning that will aid in accelerating the training of NSFnets for different parameter settings.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Green's function methods for multiphysics simulations (Final Report)

Green's functions are important tools for analyzing mathematical properties of partial differential equations (PDEs), and for numerically solving PDEs, especially when equations for the same operator but with multiple right hand sides need to be solved simultaneously. This proposal aims at developing efficient and accurate numerical methods for computing Green's functions, which can be used to tackle a challenging question in multiphysics simulation of DOE-mission science problems: how to couple quantum physics with classical physics. The key mathematical difficulty is properly formulate a "boundary condition" for the region described by quantum physics, and conventional approaches often model such boundary conditions in an empirical way. The proposed Green's function methods use the Dirichlet-to-Neumann map to formulate a boundary condition that is non-empirical and can couple the quantum and classical regions in an in principle exact way. The key ingredient of the new methods is to construct the Dirichlet-to-Neumann map in an efficient, accurate and versatile manner. The new methods have provably low complexity and are ideally suited for massively parallel and emerging many-core computational systems.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1993

Tests of smoothing methods for topological study of galaxy redshift surveys

Studying the topology of large-scale structure as a way to better understand initial conditions has become more widespread in recent years. Studying topology of simulations (which have periodic boundary conditions) in redshift space produces results compatible with the real topological characteristics of the simulation. Thus we expect we can extract useful information from redshift surveys. However, with nonperiodic boundary conditions, the use of smoothing must result in the loss of information at survey boundaries. In this paper, we test different methods of smoothing samples with nonperiodic boundary conditions to see which most efficiently preserves the topological features of the real distribution. We find that a smoothing method which (unlike most previous published analysis) sums only over cells inside the survey volume produces the best results among the schemes tested.

Melott, Adrian L.↗

DOE OSTI2021

Theoretical study of intrinsic defects in cubic silicon carbide 3C-SiC

Using the local moment counter charge (LMCC) method to accurately represent the asymptotic electrostatic boundary conditions within density functional theory supercell calculations, we present a comprehensive analysis of the atomic structure and energy levels of point defects in cubic silicon carbide (3C-SiC). Finding that the classical long-range dielectric screening outside the supercell induced by a charged defect is a significant contributor to the total energy. we describe and validate a modified Jost screening model to evaluate this polarization energy. This leads to bulk-converged defect levels in finite size supercells. With the LMCC boundary conditions and a standard Perdew-Burke-Ernzerhof (PBE) exchange correlation functional, the computed defect level spectrum exhibits no band gap problem: the range of defect levels spans ~2.4 eV, an effective defect band gap that agrees with the experimental band gap. Comparing with previous literature, our LMCC-PBE defect results are in consistent agreement with the hybrid-exchange functional results of Oda et al. [J. Chem. Phys. 139, 124707 (2013)] rather than their PBE results. The difference with their PBE results is attributed to their use of a conventional jellium approximation rather than the more rigorous LMCC approach for handling charged supercell boundary conditions. The difference between standard dft and hybrid functional results for defect levels lies not in a band gap problem but rather in solving a boundary condition problem. The LMCC-PBE entirely mitigates the effect of the band gap problem on defect levels. The more computationally economical PBE enables a systematic exploration of 3C-SiC defects, where, most notably, we find that the silicon vacancy undergoes Jahn-Teller-induced distortions from the previously assumed T d symmetry, and that the divacancy, like the silicon vacancy, exhibits a site-shift bistability in p -type conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1993

A three-dimensional pressure flux-split RNS application to sub/supersonic flow in inlets and ducts

The reduced Navier-Stokes (RNS) formulation is combined with a pressure based flux split procedure for the computational analysis of three dimensional flow. Only lowest order diffusion, that is required to satisfy the no-slip boundary condition is retained in this approximation. The governing equations are appropriately differenced such that the physical boundary conditions are closely coupled and combined to form a closed discrete system. No numerical or characteristic type boundary conditions are required. A global pressure relaxation procedure, i.e. multi-sweep PNS, is considered. A sparse matrix direct solver is applied to the crossplane solution. At the outflow boundary only the pressure or pressure gradient is prescribed. The resulting formulation has been applied to the solution of three-dimensional subsonic/supersonic internal flows in inlets and ducts.

Khosla, P. K.↗

NASA NTRS1984

Effect of boundary layers on solid walls in three-dimensional subsonic wind tunnels

A solution for the tunnel wall boundary layer effects for three-dimensional subsonic tunnels is presented. The model potentials are represented with simple singularities placed on the centerline of the tunnel and Laplace's equation in cylindrical coordinates is solved for either the conventional homogeneous slotted-wall boundary condition, the solid-wall viscous boundary condition, or a combination of them. The most pronounced wall boundary layer effect is on solid blockage for completely closed wind tunnels. Boundary layers on the wall reduce the blockage from the solid-wall, no-boundary-layer case in a manner similar to opening slots in a solid wall. Additionally, for solid-wall tunnel configurations, the streamline curvature interference factor is reduced by a significant amount, whereas the lift interference factor at the model station does not depend on the boundary layer parameter. For combination wall configurations, the slot effect of the horizontal walls dominates the viscous effect of the solid sidewalls.

Adcock, J. B.↗

NASA NTRS1986

Stability of semidiscrete approximations for hyperbolic initial-boundary-value problems: An eigenvalue analysis

A hyperbolic initial-boundary-value problem can be approximated by a system of ordinary differential equations (ODEs) by replacing the spatial derivatives by finite-difference approximations. The resulting system of ODEs is called a semidiscrete approximation. A complication is the fact that more boundary conditions are required for the spatially discrete approximation than are specified for the partial differential equation. Consequently, additional numerical boundary conditions are required and improper treatment of these additional conditions can lead to instability. For a linear initial-boundary-value problem (IBVP) with homogeneous analytical boundary conditions, the semidiscrete approximation results in a system of ODEs of the form du/dt = Au whose solution can be written as u(t) = exp(At)u(O). Lax-Richtmyer stability requires that the matrix norm of exp(At) be uniformly bounded for O less than or = t less than or = T independent of the spatial mesh size. Although the classical Lax-Richtmyer stability definition involves a conventional vector norm, there is no known algebraic test for the uniform boundedness of the matrix norm of exp(At) for hyperbolic IBVPs. An alternative but more complicated stability definition is used in the theory developed by Gustafsson, Kreiss, and Sundstrom (GKS). The two methods are compared.

Warming, Robert F.↗

DOE OSTI2020

Mobile Sensing for Wind Field Estimation in Wind Farms: Preprint

This paper introduces a novel approach for estimating the wind field over an entire wind farm using a mobile sensor to collect limited amounts of data. The proposed method estimates the boundary conditions of a simplified turbine wake model by computing the model sensitivity matrix and using a recursive least-squares algorithm to recover the model parameters from the wind field measurements. To address the fact that it is not practical to take measurements across the entire wind farm, the proposed method classifies each area on the map based on its sensitivity to parameter variations. This classification is then used to generate a suitable path for a mobile sensor, which is charged with collecting data for the recursive least-squares algorithm. The proposed framework can successfully estimate the model boundary conditions using just the measurements collected along the path of the mobile sensor. This preliminary result paves the way for using real-time wind field estimates for the coordinated control of all the turbines within a wind farm.

estimation↗

NASA NTRS2003

Inflow/Outflow Conditions for Unsteady Aerodynamics and Aeroacoustics in Nonuniform Flow

The effect of a nonuniform mean flow on the normal modes; the inflow/outflow nonreflecting boundary conditions; and the sound power are studied. The normal modes in an annular duct are computed using a spectral method in combination with a shooting method. The swirl causes force imbalance which couples the acoustic and vortical modes. The acoustic modes are distinguished from the vortical modes by their large pressure and small vorticity content. The mean swirl also produces a Doppler shift in frequency. This results in more counter-spinning modes cut-on at a given frequency than modes spinning with the swirl. Nonreflecting boundary conditions are formulated using the normal mode solutions. The inflow/outflow boundary conditions are implemented in a linearized Euler scheme and validated by computing the propagation of acoustic and vortical waves in a duct for a variety of swirling mean flows. Numerical results show that the evolution of the vortical disturbances is sensitive to the inflow conditions and the details of the wake excitations. All three components of the wake velocity must be considered to correctly compute the wake evolution and the blade upwash. For high frequencies, the acoustic-vortical mode coupling is weak and a conservation equation for the acoustic energy can be derived. Sound power calculations show significant mean flow swirl effects, but mode interference effects are small.

Atassi, Oliver V.↗

NASA NTRS1997

Efficient Multidisciplinary Analysis Procedure Using Multi-Level Parallelization Approach

Multidisciplinary applications are suitable for parallel computing environment by adopting the domain decomposition method. Immediately, a multidisciplinary application can be parallelized by solving each discipline separately. In order to perform coupled multidisciplinary analysis, coupling of each discipline can be accomplished by exchanging boundary data at the interfaces. This is regarded as discipline-level parallelization. Next level could be a "coarse-grain" parallelization of each discipline, which mainly depends on the physical geometry and nature of each discipline. For example, it is almost impossible for structured-grid based computational fluid dynamics codes to do flow analysis of an aircraft by using a single grid because of the complexity of its configuration. Thus, multi-block grid is commonly used to describe the details of complex geometry. Similarly, in structural analysis, the structure is frequently subdivided into substructures. Thus, the computation of each subdomain can be easily parallelized since each subdomain is solved separately independent of other domains. The parallelization is accomplished by solving each subdomain separately on a separate processor and exchanging the boundary conditions at domain interfaces periodically. However, the physical decomposition of the domain introduces explicit boundary conditions at the domain interfaces. This is not desirable for critical areas such as those containing shock waves or flow separations. Thus, a "fine-grain" parallelization is introduced to overcome this problem. The "fine-grain" parallelization is one that solves exactly the same system of equations of a subdomain by using more than one processors without introducing any explicit boundary conditions. An efficient multidisciplinary analysis procedure can be accomplished by successfully combining the above multi-level parallelism. A multidisciplinary analysis code, ENSAERO developed at NASA Ames Research Center is used in this study to implement the proposed approach. The communication data structure required for the proposed approach will be studied in detail. This work will demonstrate the feasibility of using multi-level parallelization approach in multidisciplinary analysis applications.

Byun, Chansup↗

NASA NTRS1985

Preliminary Results from Numerical Experiments on the Summer 1980 Heat Wave and Drought

During the summer of 1980, a prolonged heat wave and drought affected the United States. A preliminary set of experiments has been conducted to study the effect of varying boundary conditions on the GLA model simulation of the heat wave. Five 10-day numerical integrations with three different specifications of boundary conditions were carried out: a control experiment which utilized climatological boundary conditions, an SST experiment which utilized summer 1980 sea-surface temperatures in the North Pacific, but climatological values elsewhere, and a Soil Moisture experiment which utilized the values of Mintz-Serafini for the summer, 1980. The starting dates for the five forecasts were 11 June, 7 July, 21 July, 22 August, and 6 September of 1980. These dates were specifically chosen as days when a heat wave was already established in order to investigate the effect of soil moistures or North Pacific sea-surface temperatures on the model's ability to maintain the heat wave pattern. The experiments were evaluated in terms of the heat wave index for the South Plains, North Plains, Great Plains and the entire U.S. In addition a subjective comparison of map patterns has been performed.

Wolfson, N.↗

NASA NTRS1996

Calculation of Turbulent Subsonic Diffuser Flows Using the NPARC Navier-Stokes Code

Axisymmetric subsonic diffuser flows were calculated with the NPARC Navier-Stokes code in order to determine the effects various code features have on the flow solutions. The code features examined in this work were turbulence models and boundary conditions. Four turbulence models available in NPARC were used: the Baldwin-Lomax algebraic model, the Baldwin-Barth one-equation model, and the Chien kappa-epsilon and Wilcox kappa-omega two-equation models. The three boundary conditions examined were the free boundary, the mass flux boundary and the subsonic outflow with variable static pressure. In addition to boundary condition type, the geometry downstream of the diffuser was varied to see if upstream influences were present. The NPARC results are compared with experimental data and recommendations are given for using NPARC to compute similar flows.

Dudek, J. C.↗

NASA NTRS2020

On Boundary-Value Problems for RANS Equations and Two-Equation Turbulence Models

Currently, in engineering computations for high Reynolds number turbulent flows, turbulence modeling continues to be the most frequently used approach to represent the effects of turbulence. Such models generally rely on solving either one or two transport equations along with the Reynolds-Averaged Navier–Stokes (RANS) equations. The solution of the boundary-value problem of any system of partial differential equations requires the complete delineation of the equations and the boundary conditions, including any special restrictions and conditions. In the literature, such a description is often incomplete, neglecting important details related to the boundary conditions and possible restrictive conditions, such as how to ensure satisfying prescribed values of the dependent variables of the transport equations in the far field of a finite domain. In this article, we discuss the possible influence of boundary values, as well as near-field and far-field behavior, on the solution of the RANS equations coupled with transport equations for turbulence modeling. In so doing, we defne the concept of a welldefined boundary-value problem. Additionally, a three-dimensional, rather than a simpler one-dimensional analysis is performed to analyze the near-wall and far-field behavior of the turbulence model variables. This allows an assessment of the decay rate of these variables required to realize the boundary conditions in the far field. This paper also addresses the impact of various transformations of two-equation models (e.g., the model of Wilcox) to remove the singular behavior of the dissipation rate (ω) at the surface boundary. Finally, the issue of well-posedness regarding the governing equations is considered. A compelling argument (although not a proof) for ill-posedness is made for both direct and inverse problems.

Navier–Stokes equations↗

NASA NTRS2021

Modal Testing of a Flexible Wing on a Dynamically Active Test Fixture Using the Fixed Base Correction Method

In modal testing and finite element model correlation, analysts desire modal results using free-free or rigid boundary conditions to ease comparisons of test versus analytical data. It is often expensive both in cost and schedule to build and test with boundary conditions that replicate the free-free or rigid boundaries. Static test fixtures for load testing are often large, heavy, and unyielding, and not provide adequate boundaries for modal tests because they are dynamically too flexible and often contain natural frequencies within the test article frequency range of interest. The dynamic coupling between the test article and test fixture complicates the model updating process because significant effort needs to be spent on modeling the test fixture and boundary conditions in addition to the test article. If the modal results could be corrected for fixture coupling, then setups used for other structural testing could be adequate for modal testing and would allow significant schedule and cost savings by eliminating a unique setup for only modal testing. To simplify future modal tests, this report describes a Fixed Base Correction method that was investigated during modal testing of a full-scale, half-span, flexible wing cantilevered from a static test fixture. The results of this Fixed Base Correction approach look very promising. The method aided in producing similar wing modal characteristics for two different physical boundary configurations of a dynamically active test fixture.

Natalie D Spivey↗