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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2013

Structural Dynamics Modeling of HIRENASD in Support of the Aeroelastic Prediction Workshop

An Aeroelastic Prediction Workshop (AePW) was held in April 2012 using three aeroelasticity case study wind tunnel tests for assessing the capabilities of various codes in making aeroelasticity predictions. One of these case studies was known as the HIRENASD model that was tested in the European Transonic Wind Tunnel (ETW). This paper summarizes the development of a standardized enhanced analytical HIRENASD structural model for use in the AePW effort. The modifications to the HIRENASD finite element model were validated by comparing modal frequencies, evaluating modal assurance criteria, comparing leading edge, trailing edge and twist of the wing with experiment and by performing steady and unsteady CFD analyses for one of the test conditions on the same grid, and identical processing of results.

Wieseman, Carol↗
NASA NTRS2018

Methodologies for Verification and Validation of Space Launch System (SLS) Structural Dynamic Models: Appendices

Verification and validation (V&V) is a highly challenging undertaking for SLS structural dynamics models due to the magnitude and complexity of SLS subassemblies and subassemblies. Responses to challenges associated with V&V of Space Launch System (SLS) structural dynamics models are presented in Volume I of this paper. Four methodologies addressing specific requirements for V&V are discussed. (1) Residual Mode Augmentation (RMA). (2) Modified Guyan Reduction (MGR) and Harmonic Reduction (HR, introduced in 1976). (3) Mode Consolidation (MC). Finally, (4) Experimental Mode Verification (EMV). This document contains the appendices to Volume I.

Coppolino, Robert N.↗
DOE OSTI2019

Hydrodynamic and Structural Response Modeling of a Prototype Floating Membrane Reservoir System for Pumped Storage Hydropower

Hydrodynamic, computational fluid dynamics, and finite-element modeling were performed for a novel floating membrane reservoir system design for closed-loop pumped storage hydropower application. The conceptual design, which is now protected under an invention disclosure with a patent pending, offers a potential low-cost, low-impact solution to address the high costs, long investment return periods, and environmental disruptions encountered with traditional pumped storage development while offering modularity to enable replication at many locations. Prior to physical tests on a prototype, this paper documents the response analysis and modeling completed to simulate hydraulic and structural performance under different reservoir deployment and alignment arrangements, evaluate system stability, and refine the conceptual design. The results indicate that the excitation frequency from vortex shedding is at least an order of magnitude lower than the water sloshing frequencies in the reservoir, the structural natural frequency of the entire reservoir, and the vibrational frequencies of the side membranes, although excitation frequencies from other sources could cause mechanical resonance under certain conditions. To control destabilizing effects and prevent rocking motion and vibration, the authors conclude that the design could be improved by including a support structure around the floating reservoir, which could also provide floating-membrane containment, improve safety, and facilitate vertical reservoir movement. These conclusions, based on hydrodynamic and structural response modeling, help define specifications for upcoming full-scale prototype construction, deployment, and testing. This study demonstrates standard modeling technique application to an innovative design for which similar applications have not been previously evaluated. As a result, the refined design is capable of improving the scalability and feasibility of pumped storage hydropower in the United States and will be considered for commercialization following prototype testing.

13 HYDRO ENERGY↗
DOE OSTI2025

How initial conditions-, structural-, and parameter-based model uncertainty interact and influence predictions in permafrost ecosystems: Modeling Archive

This dataset contains model output and input data, as well as source code examples for the Terrestrial Ecosystem Model with the Dynamic Vegetation Model and Dynamic Organic Soil (DVM-DOS-TEM) for the field sites Imnavait creek and the Bonanza creek Long Term Ecological Research Network (LTER). The data covers simulations from the last glacial maximum (LGM) until 2100 for a selection of paleo scenarios, setting the mean temperature of the LGM up to 10°C lower than pre-industrial conditions. The model structure was modulated to represent various model versions, and this dataset contains the relevant changes in the source code. The raw output data, the processed statistical data, the setup and processing scripts as well as parameter value distribution files from a parameter sensitivity analysis are included as well. Model outputs include active layer depth, organic soil carbon, soil layer depths, gross primary productivity (GPP) with and without nitrogen limitation, net primary productivity (NPP), soil liquid water content, heterotrophic, maintenance, and growth respiration, soil temperature, and vegetation carbon (*.nc files). The Next-Generation Ecosystem Experiments in the Arctic (NGEE Arctic) project is a research effort to reduce uncertainty in the Department of Energy’s Energy Exascale Earth System Model (E3SM) by developing a predictive understanding of Arctic tundra ecosystems underlain by permafrost and to quantify feedbacks from the Arctic tundra to the Earth system. NGEE Arctic is supported by the Department of Energy's Office of Biological and Environmental Research.Over Phases 1–3, observations made by the NGEE Arctic team across a gradient of permafrost landscapes in Arctic Alaska improved the representation of tundra processes in the land surface component of E3SM (the E3SM Land Model, ELM). Model improvements emphasized unique aspects of permafrost environments and explored reductions in model complexity while retaining predictive power. The Arctic-informed ELM developed by NGEE Arctic has been used to make novel predictions on processes ranging from permafrost thaw to soil biogeochemical cycling to Earth system feedbacks associated with the unique characteristics of tundra plants. In Phase 4, the NGEE Arctic team is evaluating our new predictive understanding under novel conditions across the Arctic domain. In collaboration with partners at long-term pan-Arctic research sites we are examining whether an Arctic-informed ELM can faithfully simulate interactions among surface and subsurface processes at site, regional, and pan-Arctic scales. In turn, we are using variety of tools to dynamically extend and evaluate ELM inference, with an emphasis on data synthesis and pan-Arctic model evaluation, reintegration of code with an evolving E3SM, scaling across heterogeneous Arctic landscapes, and the appropriate representation of the impacts of increasingly frequent Arctic disturbances.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

Free molecular collision cross section calculation methods for nanoparticles and complex ions with energy accommodation

The structures of nanoparticles, macromolecules, and molecular clusters in gas phase environments are often studied via measurement of collision cross sections. To directly compare structure models to measurements, it is hence necessary to have computational techniques available to calculate the collision cross sections of structural models under conditions matching measurements. However, presently available collision cross section methods contain the underlying assumption that collision between gas molecules and structures are completely elastic (gas molecule translational energy conserving) and specular, while experimental evidence suggests that in the most commonly used background gases for measurements, air and molecular nitrogen, gas molecule reemission is largely inelastic (with exchange of energy between vibrational, rotational, and translational modes) and should be treated as diffuse in computations with fixed structural models. In this work, we describe computational techniques to predict the free molecular collision cross sections for fixed structural models of gas phase entities where inelastic and non-specular gas molecule reemission rules can be invoked, and the long range ion-induced dipole (polarization) potential between gas molecules and a charged entity can be considered. Specifically, two calculation procedures are described detail: a diffuse hard sphere scattering (DHSS) method, in which structures are modeled as hard spheres and collision cross sections are calculated for rectilinear trajectories of gas molecules, and a diffuse trajectory method (DTM), in which the assumption of rectilinear trajectories is relaxed and the ion-induced dipole potential is considered. Collision cross section calculations using the DHSS and DTM methods are performed on spheres, models of quasifractal aggregates of varying fractal dimension, and fullerene like structures. Techniques to accelerate DTM calculations by assessing the contribution of grazing gas molecule collisions (gas molecules with altered trajectories by the potential interaction) without tracking grazing trajectories are further discussed. The presented calculation techniques should enable more accurate collision cross section predictions under experimentally relevant conditions than pre-existing approaches, and should enhance the ability of collision cross section measurement schemes to discern the structures of gas phase entities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1989

Reanalysis, compatibility and correlation in analysis of modified antenna structures

A simple computational procedure is synthesized to process changes in the microwave-antenna pathlength-error measure when there are changes in the antenna structure model. The procedure employs structural modification reanalysis methods combined with new extensions of correlation analysis to provide the revised rms pathlength error. Mainframe finite-element-method processing of the structure model is required only for the initial unmodified structure, and elementary postprocessor computations develop and deal with the effects of the changes. Several illustrative computational examples are included. The procedure adapts readily to processing spectra of changes for parameter studies or sensitivity analyses.

Levy, R.↗
NASA NTRS2001

A Shell/3D Modeling Technique for the Analyses of Delaminated Composite Laminates

A shell/3D modeling technique was developed for which a local three-dimensional solid finite element model is used only in the immediate vicinity of the delamination front. The goal was to combine the accuracy of the full three-dimensional solution with the computational efficiency of a plate or shell finite element model. Multi-point constraints provided a kinematically compatible interface between the local three-dimensional model and the global structural model which has been meshed with plate or shell finite elements. Double Cantilever Beam (DCB), End Notched Flexure (ENF), and Single Leg Bending (SLB) specimens were modeled using the shell/3D technique to study the feasibility for pure mode I (DCB), mode II (ENF) and mixed mode I/II (SLB) cases. Mixed mode strain energy release rate distributions were computed across the width of the specimens using the virtual crack closure technique. Specimens with a unidirectional layup and with a multidirectional layup where the delamination is located between two non-zero degree plies were simulated. For a local three-dimensional model, extending to a minimum of about three specimen thicknesses on either side of the delamination front, the results were in good agreement with mixed mode strain energy release rates obtained from computations where the entire specimen had been modeled with solid elements. For large built-up composite structures modeled with plate elements, the shell/3D modeling technique offers a great potential for reducing the model size, since only a relatively small section in the vicinity of the delamination front needs to be modeled with solid elements.

Krueger, Ronald↗
NASA NTRS1999

A Shell/3D Modeling Technique for Delaminations in Composite Laminates

A shell/3D modeling technique was developed for which a local solid finite element model is used only in the immediate vicinity of the delamination front. The goal was to combine the accuracy of the full three-dimensional solution with the computational efficiency of a plate or shell finite element model. Multi-point constraints provide a kinematically compatible interface between the local 3D model and the global structural model which has been meshed with plate or shell finite elements. For simple double cantilever beam (DCB), end notched flexure (ENF), and single leg bending (SLB) specimens, mixed mode energy release rate distributions were computed across the width from nonlinear finite element analyses using the virtual crack closure technique. The analyses served to test the accuracy of the shell/3D technique for the pure mode I case (DCB), mode II case (ENF) and a mixed mode I/II case (SLB). Specimens with a unidirectional layup where the delamination is located between two 0 plies, as well as a multidirectional layup where the delamination is located between two non-zero degree plies, were simulated. For a local 3D model extending to a minimum of about three specimen thicknesses in front of and behind the delamination front, the results were in good agreement with mixed mode strain energy release rates obtained from computations where the entire specimen had been modeled with solid elements. For large built-up composite structures modeled with plate elements, the shell/3D modeling technique offers a great potential, since only a relatively small section in the vicinity of the delamination front needs to be modeled with solid elements.

Krueger, Ronald↗
DOE OSTI2022

DISTEMA: distance map-based estimation of single protein model accuracy with attentive 2D convolutional neural network

Abstract Background Estimation of the accuracy (quality) of protein structural models is important for both prediction and use of protein structural models. Deep learning methods have been used to integrate protein structure features to predict the quality of protein models. Inter-residue distances are key information for predicting protein’s tertiary structures and therefore have good potentials to predict the quality of protein structural models. However, few methods have been developed to fully take advantage of predicted inter-residue distance maps to estimate the accuracy of a single protein structural model. Result We developed an attentive 2D convolutional neural network (CNN) with channel-wise attention to take only a raw difference map between the inter-residue distance map calculated from a single protein model and the distance map predicted from the protein sequence as input to predict the quality of the model. The network comprises multiple convolutional layers, batch normalization layers, dense layers, and Squeeze-and-Excitation blocks with attention to automatically extract features relevant to protein model quality from the raw input without using any expert-curated features. We evaluated DISTEMA’s capability of selecting the best models for CASP13 targets in terms of ranking loss of GDT-TS score. The ranking loss of DISTEMA is 0.079, lower than several state-of-the-art single-model quality assessment methods. Conclusion This work demonstrates that using raw inter-residue distance information with deep learning can predict the quality of protein structural models reasonably well. DISTEMA is freely at https://github.com/jianlin-cheng/DISTEMA

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1990

Model for human use of motion cues in vehicular control

A feedback model for human use of motion cues in tracking and regulation tasks is offered. The motion cue model is developed as a simple extension of a structural model of the human pilot, although other equivalent dynamic representations of the pilot could be used in place of the structural model. In the structural model,it is hypothesized that proprioceptive cues and an internal representation of the vehicle dynamics allow the human to create compensation characteristics that are appropriate for the dynamics of the particular vehicle being controlled. It is shown that an additional loop closure involving motion feedback can improve the pilot/vehicle dynamics by decreasing high-frequency phase lags in the effective open-loop system transfer function. Data from a roll-attitude tracking/regulation task conducted on a moving base simulator are used to verify the modeling approach.

Hess, Ronald A.↗
DOE OSTI2021

Data-driven enhancement of coherent structure-based models for predicting instantaneous wall turbulence

Predictions of the spatial representation of instantaneous wall-bounded flows, via coherent structure-based models, are highly sensitive to the geometry of the representative structures employed by them. In this study, we propose a methodology to extract the three-dimensional (3-D) geometry of the statistically significant eddies from multi-point wall-turbulence datasets, for direct implementation into these models to improve their predictions. The methodology is employed here for reconstructing a 3-D statistical picture of the inertial wall coherent turbulence for all canonical wall-bounded flows, across a decade of friction Reynolds number (Re T ). These structures are responsible for the Re T -dependence of the skin-friction drag and also facilitate the inner-outer interactions, making them key targets of structure-based models. The empirical analysis brings out the geometric self-similarity of the large-scale wall-coherent motions and also suggests the hairpin packet as the representative flow structure for all wall-bounded flows, thereby aligning with the framework on which the attached eddy model (AEM) is based. The same framework is extended here to also model the very-large-scaled motions, with a consideration of their differences in internal versus external flows. Implementation of the empirically-obtained geometric scalings for these large structures into the AEM is shown to enhance the instantaneous flow predictions for all three velocity components. Finally, an active flow control system driven by the same geometric scalings is conceptualized, towards favourably altering the influence of the wall coherent motions on the skin-friction drag.

42 ENGINEERING↗
NASA NTRS1994

Synthesis of line profiles from models of structured winds

On the basis of a careful analysis of resonance line formation (both for singlets and doublets) in structured winds, present time dependent models of the line driven winds of hot stars are shown to be able to explain a number of observational features with respect to variability and structure: they are (in principle) able to reproduce the black and broad troughs (without any artificial 'turbulence velocity') and the 'blue edge variability' observed in saturate resonance lines: they might explain the 'long lived narrow absorption components' often observed in unsaturated lines at high velocities; they predict a relation between the 'edge velocity' of UV-lines and the radiation temperature of the observed X-ray emission. As a first example of the extent to which theoretical models can be constrained by comparisons between observations and profiles calculated by spectrum synthesis from structured winds, we show here that models with deep-seated onset of structure formation (approximately greater than 1.1 R(sub *)) produce resonance lines which agree qualitatively with observational findings; in contrast, the here presented models with structure formation only well out in the wind (approximately greater than 1.6 R(sub *) fail in this respect.

Puls, J.↗
DOE OSTI2022

Kinetic model development and Bayesian uncertainty quantification for the complete reduction of Fe-based oxygen carriers with CH 4 , CO, and H 2 for chemical looping combustion

In this work, three kinetic models are developed and calibrated for the complete multi-step reduction of an Fe-based oxygen carrier (OC) particle with CH 4 , CO, and H 2 , using data from thermogravimetric analysis. The complete reduction rate profiles exhibit complex dynamics whose trajectory is significantly different depending on the reducing gas. A Bayesian model building and parameter estimation framework is applied for simultaneous parameter and model structure uncertainty quantification. The final models show excellent agreement between model predictions and calibration data, as well as new data not used for calibration (for the reduction of the OC with CH 4 ). Parameter uncertainty is quantified by determining joint posterior distribution, and model structure uncertainty is addressed by incorporating Gaussian process stochastic functions (represented by Bayesian smoothing splines) into the kinetic models. The final kinetic models with discrepancy functions are readily employable in equation-oriented simulation and optimization platforms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗