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NASA NTRS1994

Numerical simulation of two-dimensional spatially-developing mixing layers

Two-dimensional, incompressible, spatially developing mixing layer simulations are performed at Re = 10(exp 2) and 10(exp 4) with two classes of perturbations applied at the inlet boundary; combinations of discrete modes from linear stability theory, and a broad spectrum of modes derived from experimentally measured velocity spectra. The effect of the type and strength of inlet perturbations on vortex dynamics and time-averaged properties are explored. Two-point spatial velocity and autocorrelations are used to estimate the size and lifetime of the resulting coherent structures and to explore possible feedback effects. The computed time-averaged properties such as mean velocity profiles, turbulent statistics, and spread rates show good agreement with experimentally measured values. It is shown that by forcing with a broad spectrum of modes derived from an experimental energy spectrum many experimentally observed phenomena can be reproduced by a 2-D simulation. The strength of the forcing merely affected the length required for the dominant coherent structures to become fully-developed. Thus intensities comparable to those of the background turbulence in many wind tunnel experiments produced the same results, given sufficient simulation length.

Wilson, R. V.↗

NASA NTRS1995

Auto-adaptive finite element meshes

Accurate capturing of discontinuities within compressible flow computations is achieved by coupling a suitable solver with an automatic adaptive mesh algorithm for unstructured triangular meshes. The mesh adaptation procedures developed rely on non-hierarchical dynamical local refinement/derefinement techniques, which hence enable structural optimization as well as geometrical optimization. The methods described are applied for a number of the ICASE test cases are particularly interesting for unsteady flow simulations.

Richter, Roland↗

NASA NTRS1998

A Worst-Case Approach for On-Line Flutter Prediction

Worst-case flutter margins may be computed for a linear model with respect to a set of uncertainty operators using the structured singular value. This paper considers an on-line implementation to compute these robust margins in a flight test program. Uncertainty descriptions are updated at test points to account for unmodeled time-varying dynamics of the airplane by ensuring the robust model is not invalidated by measured flight data. Robust margins computed with respect to this uncertainty remain conservative to the changing dynamics throughout the flight. A simulation clearly demonstrates this method can improve the efficiency of flight testing by accurately predicting the flutter margin to improve safety while reducing the necessary flight time.

Lind, Rick C.↗

NASA NTRS1999

NPARC v3.1 User's Guide: A Companion to the NPARC v3.0 User's Guide

NPARC v3.1 is a modification to the NPARC v3.0 computer program which expands the capabilities for time-accurate computations through the use of a Newton iterative implicit method, time-varying boundary conditions, and planar dynamic grids. This document discusses some of the changes from the NPARC v3.0, specifically: changes to the directory structure and execution, changes to the input format. background on new methods, new boundary conditions. dynamic grids, new options for output, usage concepts, and some test cases to serve as tutorials. This document is intended to be used in conjunction with the NPARC v3.0 user's guide.

Chung, Joongkee↗

NASA NTRS1998

Current Grid Generation Strategies and Future Requirements in Hypersonic Vehicle Design, Analysis and Testing

Recent advances in computational power enable computational fluid dynamic modeling of increasingly complex configurations. A review of grid generation methodologies implemented in support of the computational work performed for the X-38 and X-33 are presented. In strategizing topological constructs and blocking structures factors considered are the geometric configuration, optimal grid size, numerical algorithms, accuracy requirements, physics of the problem at hand, computational expense, and the available computer hardware. Also addressed are grid refinement strategies, the effects of wall spacing, and convergence. The significance of grid is demonstrated through a comparison of computational and experimental results of the aeroheating environment experienced by the X-38 vehicle. Special topics on grid generation strategies are also addressed to model control surface deflections, and material mapping.

Papadopoulos, Periklis↗

NASA NTRS2001

Visualization of CFD Results in Immersive Virtual Environments

An object-oriented event-driven immersive virtual environment (VE) is described for the visualization of computational fluid dynamics (CFD) results. The VE incorporates the following types of primitive software objects: interface objects, support objects, geometric entities, and finite elements. The fluid domain is discretized using either a multi-block structured grid or an unstructured finite element mesh. The VE allows natural 'fly-through' visualization of the model, the CFD grid, and the model's surroundings. In order to help visualize the flow and its effects on the model, the VE incorporates the following objects: stream objects (lines, surface-restricted lines. ribbons. and volumes); colored surfaces; elevation surfaces; surface arrows; global and local iso-surfaces; vortex cores; and separation/attachment surfaces and lines. Most of these objects can be used for dynamically probing the flow. Particles and arrow animations can be displayed on top of stream objects. Primitive response quantities as well as derived quantities can be used. A recursive tree search algorithm is used for real-time point and value search in the CFD grid.

Wasfy, Tamer M.↗

NASA NTRS2004

A Survey of Collectives

Due to the increasing sophistication and miniaturization of computational components, complex, distributed systems of interacting agents are becoming ubiquitous. Such systems, where each agent aims to optimize its own performance, but where there is a well-defined set of system-level performance criteria, are called collectives. The fundamental problem in analyzing/designing such systems is in determining how the combined actions of self-interested agents leads to 'coordinated' behavior on a iarge scale. Examples of artificial systems which exhibit such behavior include packet routing across a data network, control of an array of communication satellites, coordination of multiple deployables, and dynamic job scheduling across a distributed computer grid. Examples of natural systems include ecosystems, economies, and the organelles within a living cell. No current scientific discipline provides a thorough understanding of the relation between the structure of collectives and how well they meet their overall performance criteria. Although still very young, research on collectives has resulted in successes both in understanding and designing such systems. It is eqected that as it matures and draws upon other disciplines related to collectives, this field will greatly expand the range of computationally addressable tasks. Moreover, in addition to drawing on them, such a fully developed field of collective intelligence may provide insight into already established scientific fields, such as mechanism design, economics, game theory, and population biology. This chapter provides a survey to the emerging science of collectives.

Tumer, Kagan↗

NASA NTRS2005

Dynamic Deployment Simulations of Inflatable Space Structures

The feasibility of using Control Volume (CV) method and the Arbitrary Lagrangian Eulerian (ALE) method in LSDYNA to simulate the dynamic deployment of inflatable space structures is investigated. The CV and ALE methods were used to predict the inflation deployments of three folded tube configurations. The CV method was found to be a simple and computationally efficient method that may be adequate for modeling slow inflation deployment sine the inertia of the inflation gas can be neglected. The ALE method was found to be very computationally intensive since it involves the solving of three conservative equations of fluid as well as dealing with complex fluid structure interactions.

Wang, John T.↗

NASA NTRS2010

Reduced-Order Models for the Aeroelastic Analysis of Ares Launch Vehicles

This document presents the development and application of unsteady aerodynamic, structural dynamic, and aeroelastic reduced-order models (ROMs) for the ascent aeroelastic analysis of the Ares I-X flight test and Ares I crew launch vehicles using the unstructured-grid, aeroelastic FUN3D computational fluid dynamics (CFD) code. The purpose of this work is to perform computationally-efficient aeroelastic response calculations that would be prohibitively expensive via computation of multiple full-order aeroelastic FUN3D solutions. These efficient aeroelastic ROM solutions provide valuable insight regarding the aeroelastic sensitivity of the vehicles to various parameters over a range of dynamic pressures.

Silva, Walter A.↗

DOE OSTI2021

Liquid state properties of SEI components in dimethoxyethane

The solid-electrolyte interphase (SEI) layer is a critical constituent of battery technology, which incorporates the use of lithium metals. Since the formation of the SEI is difficult to avoid, the engineering and harnessing of the SEI are absolutely critical to advancing energy storage. One problem is that much fundamental information about SEI properties is lacking due to the difficulty in probing a chemically complex interfacial system. One such property that is currently unknown is the dissolution of the SEI. This process can have significant effects on the stability of the SEI, which is critical to battery performance but is difficult to probe experimentally. Here, we report the use of ab initio computational chemistry simulations to probe the solution state properties of SEI components LiF, Li 2 O, LiOH, and Li 2 CO 3 in order to study their dissolution and other solution-based characteristics. Ab initio molecular dynamics was used to study the solvation structures of the SEI with a combination of radial distribution functions, discrete solvation structure maps, and vibrational density of states, which allows for the determination of free energies. From the change in free energy of dissolution, we determined that LiOH is the most likely component to dissolve in the electrolyte followed by LiF, Li 2 CO 3 , and Li 2 O although none were favored thermodynamically. Furthermore, this indicates that dissolution is not probable, but Li 2 O would make the most stable SEI with regard to dissolution in the electrolyte.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1992

The 3D inelastic analysis methods for hot section components

A two-year program to develop advanced 3D inelastic structural stress analysis methods and solution strategies for more accurate and cost effective analysis of combustors, turbine blades, and vanes is described. The approach was to develop a matrix of formulation elements and constitutive models. Three constitutive models were developed in conjunction with optimized iterating techniques, accelerators, and convergence criteria within a framework of dynamic time incrementing. Three formulation models were developed: an eight-noded midsurface shell element; a nine-noded midsurface shell element; and a twenty-noded isoparametric solid element. A separate computer program has been developed for each combination of constitutive model-formulation model. Each program provides a functional stand alone capability for performing cyclic nonlinear structural analysis. In addition, the analysis capabilities incorporated into each program can be abstracted in subroutine form for incorporation into other codes or to form new combinations.

Mcknight, R. L.↗

DOE OSTI2021

Oscillatory Spreading and Inertia in Power Grids

The increase in variable renewable generators (VRGs) in power systems has altered the dynamics from a historical experience. VRGs introduce new sources of power oscillations, and the stabilizing response provided by synchronous generators (SGs, e.g., natural gas, coal, etc.), which help avoid some power fluctuations, will lessen as VRGs replace SGs. These changes have led to the need for new methods and metrics to quickly assess the likely oscillatory behavior for a particular network without performing computationally expensive simulations. This work studies the impact of a critical dynamical parameter - the inertia value - on the rest of a power system's oscillatory response to representative VRG perturbations. We use a known localization metric in a novel way to quantify the number of nodes responding to a perturbation and the magnitude of those responses. This metric allows us to relate the spread and severity of a system's power oscillations with inertia. We find that as inertia increases, the system response to node perturbations transitions from localized (only a few close nodes respond) to delocalized (many nodes across the network respond). We introduce a heuristic computed from the network Laplacian to relate this oscillatory transition to the network structure. We show that our heuristic accurately describes the spread of oscillations for a realistic power-system test case. Using a heuristic to determine the likely oscillatory behavior of a system given a set of parameters has wide applicability in power systems, and it could decrease the computational workload of planning and operation.

dynamical systems↗

NASA NTRS1993

A new procedure for dynamic adaption of three-dimensional unstructured grids

A new procedure is presented for the simultaneous coarsening and refinement of three-dimensional unstructured tetrahedral meshes. This algorithm allows for localized grid adaption that is used to capture aerodynamic flow features such as vortices and shock waves in helicopter flowfield simulations. The mesh-adaption algorithm is implemented in the C programming language and uses a data structure consisting of a series of dynamically-allocated linked lists. These lists allow the mesh connectivity to be rapidly reconstructed when individual mesh points are added and/or deleted. The algorithm allows the mesh to change in an anisotropic manner in order to efficiently resolve directional flow features. The procedure has been successfully implemented on a single processor of a Cray Y-MP computer. Two sample cases are presented involving three-dimensional transonic flow. Computed results show good agreement with conventional structured-grid solutions for the Euler equations.

Biswas, Rupak↗

DOE OSTI2022

Developing an ELM Ecosystem Dynamics Model on GPU with OpenACC

Porting a complex scientific code, such as the E3SM land model (ELM), onto a new computing architecture is challenging. The paper presents design strategies and technical approaches to develop an ELM ecosystem dynamics model with compiler directives (OpenACC) on NVIDIA GPUs. The code has been refactored with advanced OpenACC features (such as deepcopy and routine directives) to reduce memory consumption and to increase the levels of parallelism through parallel loop reconstruction and new data structures. As a result, the optimized parallel implementation achieved more than a 140-time speedup (50 ms vs 7600 ms), compared to a naive implementation that uses OpenACC routine directive and parallelizes the code across existing loops on a single NVIDIA V100. On a fully loaded computing node with 44 CPUs and 6 GPUs, the code achieved over a 3.0-times speedup, compared to the original code on the CPU. Furthermore, the memory footprint of the optimized parallel implementation is 300 MB, which is around 15% of the 2.15 GB of memory consumed by a naive implementation. This study is the first effort to develop the ELM component on GPUs efficiently to support ultra-high-resolution land simulations at continental scales.

Schwartz, Peter↗

NASA NTRSDate not supplied

Reduced-Order Aerodynamic Modeling Based on CFD Frequency Responses from Multisine Inputs

A system identification analysis was performed to determine a reduced-order model (ROM) of a computational fluid dynamics (CFD) solver in support of linear aeroservoelastic model development and feedback control design. The approach was applied to the FUN3D code for the half-span wind tunnel test article used in the NASA-Boeing collaboration called the Integrated Adaptive Wing Technology Maturation (IAWTM) project. In a transonic flow condition, multiple inputs (11 structural mode displacements and 3 control surface deflections) were simultaneously excited with orthogonal phase-optimized multisines while multiple outputs (the corresponding 14 generalized aerodynamic forces) were recorded. From these recorded times series, the matrix of frequency responses was computed and subsequently fit using rational function approximations (RFAs). It was found that the entire (14 x 14) matrix of frequency responses could be determined from a single CFD run and that results generally followed trends predicted using other methods. Differences were attributed to the modeling fidelity and nonlinearities from structural mode and control surface interactions at higher reduced frequencies. More accurate fits of the RFAs to the frequency response data were obtained by making two CFD runs, one with only structural mode excitations and one with only control surface excitations, which reduced the degree of nonlinearity in the modeling data.

Aeroservoelasticity↗

DOE OSTI2022

Ionic Dynamics of the Charge Carrier in Layered Solid Materials for Mg Rechargeable Batteries

Multivalent-ion batteries have attracted growing attention due to their high theoretical energy density that potentially outperforms Li-ion batteries. One of the critical challenges of realizing a multivalent-ion battery is the strong polarization that results in the sluggish intercalation of ions in the host lattice, which motivates a fundamental understanding of multivalent-ion dynamics in solid-state materials. In this contribution, we investigate the diffusion mechanisms of divalent ions in a novel Mg anode coating, BiOCl, using first-principles informed learning-on-the-fly molecular dynamics. Based on nanosecond-scale dynamics observations, we gained insights into the concerted diffusion mechanism of Mg cation site-to-site hopping facilitated by synchronous anion rotational motion. Furthermore, we compute the Mg-ion diffusion in additional candidate host structures screened from available layered materials space. Here, the results suggest the co-operative divalent cation-anion motion is likely a common phenomenon in layered oxyhalide structures. Our findings provide a new perspective on how to enhance multivalent-ion diffusion in layered materials.

25 ENERGY STORAGE↗

DOE OSTI2025

Real Vector Framework

SAND2025-11463O The Real Vector Framework (RVF) is a modern and flexible C++ vector math library for developing scientific computing software that involves vector computations. RVF allows an opt-in approach to functionality that parallels the familiar base-class and override structures of object-oriented programming. Users can reuse and customize the code without inheritance entanglements and dynamic dispatch, while enabling seamless interoperability between diverse container types. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

von Winckel, Gregory [Sandia National Lab. (SNL-CA↗

NASA NTRS1985

A tandem mirror plasma source for hybrid plume plasma studies

A tandem mirror device to be considered as a hot plasma source for the hybrid plume rocket concept is discussed. The hot plamsa from this device is injected into an exhaust duct, which will interact with an annular hypersonic layer of neutral gas. The device can be used to study the dynamics of the hybrid plume, and to verify the numerical predictions obtained with computer codes. The basic system design is also geared towards low weight and compactness, and high power density at the exhaust. The basic structure of the device consists of four major subsystems: (1) an electric power supply; (2) a low temperature, high density plasma gun, such as a stream gun, an MPD source or gas cell; (3) a power booster in the form of a tandem mirror machine; and (4) an exhaust nozzle arrangement. The configuration of the tandem mirror section is shown.

Yang, T. F.↗