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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
NASA NTRS2006

Slat Cove Unsteadiness Effect of 3D Flow Structures

Previous studies have indicated that 2D, time accurate computations based on a pseudo-laminar zonal model of the slat cove region (within the framework of the Reynolds-Averaged Navier-Stokes equations) are inadequate for predicting the full unsteady dynamics of the slat cove flow field. Even though such computations could capture the large-scale, unsteady vorticity structures in the slat cove region without requiring any external forcing, the simulated vortices were excessively strong and the recirculation zone was unduly energetic in comparison with the PIV measurements for a generic high-lift configuration. To resolve this discrepancy and to help enable physics based predictions of slat aeroacoustics, the present paper is focused on 3D simulations of the slat cove flow over a computational domain of limited spanwise extent. Maintaining the pseudo-laminar approach, current results indicate that accounting for the three-dimensionality of flow fluctuations leads to considerable improvement in the accuracy of the unsteady, nearfield solution. Analysis of simulation data points to the likely significance of turbulent fluctuations near the reattachment region toward the generation of broadband slat noise. The computed acoustic characteristics (in terms of the frequency spectrum and spatial distribution) within short distances from the slat resemble the previously reported, subscale measurements of slat noise.

Choudhari, Meelan M.↗
NASA NTRS1991

Discrete Kalman filtering equations of second-order form for control-structure interaction simulations

A second-order form of discrete Kalman filtering equations is proposed as a candidate state estimator for efficient simulations of control-structure interactions in coupled physical coordinate configurations as opposed to decoupled modal coordinates. The resulting matrix equation of the present state estimator consists of the same symmetric, sparse N x N coupled matrices of the governing structural dynamics equations as opposed to unsymmetric 2N x 2N state space-based estimators. Thus, in addition to substantial computational efficiency improvement, the present estimator can be applied to control-structure design optimization for which the physical coordinates associated with the mass, damping and stiffness matrices of the structure are needed instead of modal coordinates.

Park, K. C.↗
NASA NTRS1998

Dynamic Load Balancing for Adaptive Meshes using Symmetric Broadcast Networks

Many scientific applications involve grids that lack a uniform underlying structure. These applications are often dynamic in the sense that the grid structure significantly changes between successive phases of execution. In parallel computing environments, mesh adaptation of grids through selective refinement/coarsening has proven to be an effective approach. However, achieving load balance while minimizing inter-processor communication and redistribution costs is a difficult problem. Traditional dynamic load balancers are mostly inadequate because they lack a global view across processors. In this paper, we compare a novel load balancer that utilizes symmetric broadcast networks (SBN) to a successful global load balancing environment (PLUM) created to handle adaptive unstructured applications. Our experimental results on the IBM SP2 demonstrate that performance of the proposed SBN load balancer is comparable to results achieved under PLUM.

Das, Sajal K.↗
DOE OSTI2021

Computational Fluid Dynamics Modeling to Simulate a Combined Reforming Process for Syngas and Hydrogen Production

An Oxygen Transport Membrane (OTM) combined reforming technology for producing syngas and hydrogen integrates the advantages of multiple processes—steam methane reforming (SMR), autothermal reforming (ATR), an air separation unit (ASU)—into a single integrated technology. The OTM consists of a primary reforming tube, in which desulfurized natural gas is partially reformed by steam at high pressure in the presence of a metal catalyst. This process is followed in series by a ceramic OTM with a secondary reformer, in which residual methane reforms and O 2 - ions react with a portion of the CO and H 2 fuel to provide the heat to support both primary and secondary reforming. Although the OTM combined reformer technology for syngas and H 2 production has been substantially developed in the last decade, several challenges that affect the overall production efficiency and reliability are yet to be fully understood, addressed, and resolved. Therefore, developing Computational Fluid Dynamics (CFD) models that incorporate fluid dynamics, mass transport, kinetics, heat transport, and structural mechanics is critical to understanding and minimizing the probability of tube failures during the startup and operation. In this report, an exhaustive literature review was performed to survey the current state of technology for producing syngas and H 2 using either conventional or renewable energy sources. The feedstocks reviewed include natural gas and coal for the conventional technologies, whereas biomass, solar, wind, and nuclear energy for the renewable technologies. The existing industry-grade COMSOL multiphysics models of OTM were upgraded for the latest software release. In addition, they were improved to help achieve grid and solver independence and were successfully ported on the ORNL high-performance computing clusters to speed up their run times. A 42% reduction in the simulation run time was achieved. A new higher-fidelity CFD model of an OTM tube was developed in the StarCCM+ simulation platform. This new model was designed to simulate various physics using first principles, e.g., turbulent flow, heat transfer, and chemical reactions while avoiding unnecessary simplifications. The resulting predictions were qualitatively assessed and provided useful insights into the multiphysics complexity of an OTM tube.

08 HYDROGEN↗
NASA NTRS1989

Parallel processors and nonlinear structural dynamics algorithms and software

The adaptation of a finite element program with explicit time integration to a massively parallel SIMD (single instruction multiple data) computer, the CONNECTION Machine is described. The adaptation required the development of a new algorithm, called the exchange algorithm, in which all nodal variables are allocated to the element with an exchange of nodal forces at each time step. The architectural and C* programming language features of the CONNECTION Machine are also summarized. Various alternate data structures and associated algorithms for nonlinear finite element analysis are discussed and compared. Results are presented which demonstrate that the CONNECTION Machine is capable of outperforming the CRAY XMP/14.

Belytschko, Ted↗
DOE OSTI2020

Predictive Model of Charge Mobilities in Organic Semiconductor Small Molecules with Force-Matched Potentials

Charge mobility of crystalline organic semiconductors (OSC) is limited by local dynamic disorder. Recently, the charge mobility for several high mobility OSCs, including TIPS-pentacene, were accurately predicted from a density functional theory (DFT) simulation constrained by the crystal structure and the inelastic neutron scattering spectrum, which provide direct measures of the structure and the dynamic disorder in the length scale and energy range of interest. However, the computational expense required for calculating all of the atomic and molecular forces is prohibitive. In this work, we demonstrate the use of density functional tight binding (DFTB), a semiempirical quantum mechanical method that is 2 to 3 orders of magnitude more efficient than DFT. We show that force matching a many-body interaction potential to DFT derived forces yields highly accurate DFTB models capable of reproducing the low-frequency intricacies of experimental inelastic neutron scattering (INS) spectra and accurately predicting charge mobility. We subsequently predicted charge mobilities from our DFTB model of a number of previously unstudied structural analogues to TIPS-pentacene using dynamic disorder from DFTB and transient localization theory. The approach we establish here could provide a truly rapid simulation pathway for accurate materials properties prediction, in our vision applied to new OSCs with tailored properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

A Lagrangian dynamic subgrid-scale model turbulence

A new formulation of the dynamic subgrid-scale model is tested in which the error associated with the Germano identity is minimized over flow pathlines rather than over directions of statistical homogeneity. This procedure allows the application of the dynamic model with averaging to flows in complex geometries that do not possess homogeneous directions. The characteristic Lagrangian time scale over which the averaging is performed is chosen such that the model is purely dissipative, guaranteeing numerical stability when coupled with the Smagorinsky model. The formulation is tested successfully in forced and decaying isotropic turbulence and in fully developed and transitional channel flow. In homogeneous flows, the results are similar to those of the volume-averaged dynamic model, while in channel flow, the predictions are superior to those of the plane-averaged dynamic model. The relationship between the averaged terms in the model and vortical structures (worms) that appear in the LES is investigated. Computational overhead is kept small (about 10 percent above the CPU requirements of the volume or plane-averaged dynamic model) by using an approximate scheme to advance the Lagrangian tracking through first-order Euler time integration and linear interpolation in space.

Meneveau, C.↗
NASA NTRS1998

How Human Factors Drove the Design and Implementation of the Virtual Windtunnel

This viewgraph presentation describes decisions made at the NASA Ames Research Center during its development of a virtual windtunnel to assist humans in visualizing computational fluid dynamics simulations. User requirements for the system include the simulation of vortical structure, pressure distribution, and overall sense of flow. In addition, the system needs to support a variety of interfaces, excluding head mounts, and needs to use an object oriented approach. Direct manipulation of the system is most user-friendly when limited to only grab and point gestures. 'Visualization control tools' (vtools) improve the realism of the system. The necessary object oriented programming is in C++ and openGL. Users interact with objects called 'tools', which include vtools and tools which control the virtual wind tunnel environment. Other objects include data objects accessed by the visualizations. Visualizations can be added to the system by the user. The presentation includes a discussion of run-time architecture, and issues related to computation and implementation.

Bryson, Steve↗
DOE OSTI2024

Identification of Dynamic Force Coefficients for an Additively Manufactured Hermetic Squeeze Film Bearing Support Damper Utilizing a Pass-Through Channel

Abstract The following paper presents breakthrough experimental results for a new hermetic squeeze film damper (HSFD) concept that is integrally designed within an externally pressurized tilting-pad radial gas bearing support. The flexibly damped gas bearing module was designed for a 7.2″ (183 mm) diameter shaft and fabricated using direct metal laser melting (DMLM); also known as additive manufacturing. The bearing and HSFD were sized based on ongoing studies for oil-free supercritical carbon dioxide (sCO2) power turbines in the 8.5 MW–10 MW power range. The development of the new damper concept was motivated by past dynamic testing on HSFD, which generated frequency-dependent stiffness and damping force coefficients. In efforts to eliminate the frequency dependency, a new HSFD architecture was conceived that adds accumulator volumes and a pass-through channel to previously conceived HSFD flow network designs. The other motivation for the work is the need to develop a cost-effective and reliable oil-free bearing technology that is scalable to large power turbomachinery applications. There were several objectives for the following work. The first objective was to successfully design and fabricate a single piece bearing-damper using additive manufacturing, while dimensionally controlling critical design features. The paper discusses the manufacturing steps and shows cut-ups that reveal adequate clearance control capability with internal damper clearances. The second objective was to perform experimental testing with the new HSFD design in efforts to extract stiffness and damping coefficients for excitation frequencies within 20–160 Hz and peak vibration amplitudes between 0.25 mils (6.35 microns) to 1 mil (25.4 microns). The test results for a single HSFD bearing module indicated that the design modifications to the HSFD architecture were successful in eliminating nearly all the frequency dependencies for the stiffness force coefficient. The dynamic tests yielded a stiffness coefficient that varied between 112 klb/in. (19.6 MN/m) and 96 klb/in. (16.8 MN/m). The damping force coefficient however, exhibited relatively more variation with frequency with values residing between 175 lb-s/in. (31 kN-s/m) to 214 lb-s/in. (37 kN-s/m). Finally, the paper advances a three-dimensional fluid-structure interaction (FSI) model using transient finite element analysis (FEA) coupled to a computational fluid dynamics (CFD) model. The FSI analysis performed between 20 Hz and 80 Hz was used to predict the stiffness and damping of the HSFD using a quarter-section model of the damper. The FSI analysis was able to support test results by showing only a 6–7.4% change in the magnitude of force coefficients. Stiffness predictions agree reasonably well with experiments whereas damping is underpredicted.

Engineering↗
DOE OSTI2026

A fractional calculus framework for open quantum dynamics: From Liouville to Lindblad to memory kernels

Open quantum systems exhibit dynamics ranging from unitary evolution to irreversible dissipation. While the Gorini–Kossakowski–Sudarshan–Lindblad equation uniquely characterizes Markovian completely positive and trace-preserving (CPTP) evolution, many physical platforms display non-Markovian features such as algebraic relaxation and coherence backflow. Fractional calculus provides a natural way to model such long-memory behavior through power-law temporal kernels introduced by fractional time derivatives. Here, we develop a unified framework that embeds fractional master equations within the broader hierarchy of open-system formalisms. The fractional equation forms a structured subclass of memory-kernel models, reduces to the Lindblad form at unit order, and, through Bochner–Phillips subordination, admits a CPTP representation as an average over Lindblad semigroups. Its resolvent structure further connects fractional dynamics to established non-Markovian approaches, including Nakajima–Zwanzig kernels and hierarchical equations of motion, providing a compact surrogate for long-memory effects. This formulation positions fractional calculus as a rigorous and practical language for modeling non-Markovian quantum dynamics in chemical physics and physical chemistry, providing a CPTP-preserving, computationally efficient surrogate for structured condensed-phase environments where long-time memory and dissipation play a central role.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1976

Finite-element analysis of dynamic fracture

Applications of the finite element method to the two dimensional elastodynamics of cracked structures are presented. Stress intensity factors are computed for two problems involving stationary cracks. The first serves as a vehicle for discussing lumped-mass and consistent-mass characterizations of inertia. In the second problem, the behavior of a photoelastic dynamic tear test specimen is determined for the time prior to crack propagation. Some results of a finite element simulation of rapid crack propagation in an infinite body are discussed.

Aberson, J. A.↗
NASA NTRS1991

Interaction dynamics of on-orbit construction

Deployment and assembly of large structures in orbit is a critical technology to the overall problem of orbital construction. The attendant large configuration changes of structures will cause significant changes in the dynamic characteristics of the entire system, and perturbation to the orbital dynamics of the spacecraft from which the structures are deployed and/or assembled. To better design structures for deployment and assembly, and to better design controlled deployment/assembly processes, accurate modeling techniques are absolutely essential. The problem of modeling the dynamics of deploying and retrieving beam-like structures from a rotating base was addressed. A methodology for discrete modeling, and a computational procedure were developed. These results give us the capability of understanding and predicting the effects on the overall satellite motion of deploying flexible appendages. This is an initial step towards a general capability of treating axially moving three-dimensional beams. The interaction dynamics of the orbiter, its flexible manipulator, and the structures to be assembled/deployed, as a prerequisite in order to simulate incremental in-space structural construction processes are investigated. Preliminary results so obtained indicate that, as the inertia properties of the flexible large space structure under construction change during the space assembly/construction process, the interaction dynamics undergo significant changes in their characteristics, thus revealing the need for a variety of control strategies throughout construction.

Park, K. C.↗
NASA NTRS1996

On the Sensitivity of Piezoceramics and Piezopolymers in Structural Integrity Monitoring of Large Trusses

An analytical assessment has been made of the reliability of using integrated microactuators and sensors in the form of piezoceramics and piezopolymers as joint integrity monitors in trussed systems. The concept is first implemented for a simple structure which consists of two truss members with a 45 deg lift angle joined at the apex. A piezoceramic patch (or piezopolymer film) bonded on the surface of one of the members at a location near the joint is used as a collocated actuator/sensor. The overall structural dynamic response under an excitation was modeled by finite element method. Different degrees of nodal constraints at the joints representing various degrees of joint integrity are employed. The resulting dynamic response showed distinct responses for varying joint stiffnesses. Parallel experimental work on a truss model using a multichannel data acquisition system and a digital signal analyzer confirms the results from analysis. We further studied the sensitivity of the micro-sensors to the behavior of joints of large arch truss structure. Results obtained for large trusses with many degrees of freedom indicate optimum locations of sensors for which the dynamic response signatures are distinct and distinguishable for relatively small changes in joint integrity and/or structural geometry. Computations based on finite element modeling show that locating the single actuator/sensor at the joint corresponding to the first loss of static stability appear optimal. Hence, static stability analysis of complex trusses can give us a good indication of the optimum placement of sensors for maximum response. This observation is important if few distributed sensors and actuators are available for placement in constructed facilities made from large trusses with many degrees of freedom. As an extension of this work a dynamic response signature identification technique to monitor in-service degradation of joints is under development for application to the monitoring of the integrity of adhesive joints in composite structures.

Abatan, A. O.↗
DOE OSTI2022

Materials Dynamics

The Materials Dynamics area of leadership focuses on understanding process-structure-properties-performance (PSPP) relationships for the extreme conditions of dynamic loading. This research encompasses controlled synthesis of materials to meet dynamic performance requirements and entails computational coupling across length and time scales for three-dimensional microstructure modeling. For this leadership area, we define dynamic loading as strain rates ≥ 10 3 /s and often, high pressures. A key grand challenge of this area is to predict and measure the evolution of microstructural phases, defect structures, and electronic structure under dynamic conditions while also measuring local temperature to understand transition states. Solving this challenge will require agile, multi-dimensional data analysis and interpretation capability.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The ab initio non-crystalline structure database: empowering machine learning to decode diffusivity

Non-crystalline materials exhibit unique properties that make them suitable for various applications in science and technology, ranging from optical and electronic devices and solid-state batteries to protective coatings. However, data-driven exploration and design of non-crystalline materials is hampered by the absence of a comprehensive database covering a broad chemical space. In this work, we present the largest computed non-crystalline structure database to date, generated from systematic and accurate ab initio molecular dynamics (AIMD) calculations. We also show how the database can be used in simple machine-learning models to connect properties to composition and structure, here specifically targeting ionic conductivity. These models predict the Li-ion diffusivity with speed and accuracy, offering a cost-effective alternative to expensive density functional theory (DFT) calculations. Furthermore, the process of computational quenching non-crystalline structures provides a unique sampling of out-of-equilibrium structures, energies, and force landscape, and we anticipate that the corresponding trajectories will inform future work in universal machine learning potentials, impacting design beyond that of non-crystalline materials. In addition, combining diffusion trajectories from our dataset with models that predict liquidus viscosity and melting temperature could be utilized to develop models for predicting glass-forming ability.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Effects of Mistuning on the Forced Response of Turbomachinery Rotors

The basic purpose of this research has been to develop a fundamental understanding of the effects of blade-to-blade dissimilarities, or mistuning, on the dynamics of nearly cyclic bladed-disk assemblies. This topic is of importance as mistuning has been shown to increase the forced response amplitudes of some blades significantly, and even to lead to blade failure. Furthermore, the current trend toward high performance propulsion turbomachinery designed for finite service life demands an accurate prediction of system performance and dynamics at the design stage. This objective has been achieved by carrying out the following tasks. First, the investigation of the free and forced responses of representative, yet sufficiently simple blade assembly models that capture all the important characteristics of typical turbomachinery rotors. Second, the development of computational methods that predict the effects of mistuning in a systematic and reliable way, along with the development of a systematic reduced-order modeling procedure for mistuned bladed disks. Third, the application of these findings and the tools developed to an industrial rotor, namely the first stage of turbine blades of the oxidizer turbopump in the space shuttle main rocket engine (SSME). The research supported by NASA has led to the development of a coherent theory for mistuned blade assemblies. The further implementation of these computational tools into the forced response prediction system currently under development in the Structural Dynamics Branch-FREPS-would enable the designer and the analyst to: (1) identify types of blade assemblies highly sensitive to mistuning in various frequency and other parameter ranges and (2) characterize mistuning effects on their forced response by predicting true response amplitudes and fatigue life estimates.

Pierre, Christophe↗
NASA NTRS1994

Effects of Mistuning on the Forced Response of Turbomachinery Rotors

The basic purpose of this research has been to develop a fundamental understanding of the effects of blade-to-blade dissimilarities, or mistuning, on the dynamics of nearly cyclic bladed-disk assemblies. This topic is of importance as mistuning has been shown to increase the forced response amplitudes of some blades significantly, and even to lead to blade failure. Furthermore, the current trend toward high performance propulsion turbomachinery designed for finite service life demands an accurate prediction of system performance and dynamics at the design stage. This objective has been achieved by carrying out the following tasks. First, the investigation of the free and forced responses of representative, yet sufficiently simple blade assembly models that capture all the important characteristics of typical turbomachinery rotors. Second, the development of computational methods that predict the effects of mistuning in a systematic and reliable way, along with the development, of a systematic reduced-order modeling procedure for mistuned bladed disks. Third, the application of these findings and the tools developed to an industrial rotor, namely the first stage of turbine blades of the oxidizer turbopump in the space shuttle main rocket engine (SSME). The research supported by NASA has led to the development of a coherent theory for mistuned blade assemblies. The further implementation of these computational tools into the forced response prediction system currently under development in the Structural Dynamics Branch Forced Response Prediction System (FREPS) would enable the designer and the analyst (1) to identify types of blade assemblies highly sensitive to mistuning in various frequency and other parameter ranges and (2), to characterize mistuning effects on their forced response by predicting true response amplitudes and fatigue life estimates.

Stefko, George L.↗