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NASA NTRS2005

Failure Models and Criteria for FRP Under In-Plane or Three-Dimensional Stress States Including Shear Non-Linearity

A set of three-dimensional failure criteria for laminated fiber-reinforced composites, denoted LaRC04, is proposed. The criteria are based on physical models for each failure mode and take into consideration non-linear matrix shear behaviour. The model for matrix compressive failure is based on the Mohr-Coulomb criterion and it predicts the fracture angle. Fiber kinking is triggered by an initial fiber misalignment angle and by the rotation of the fibers during compressive loading. The plane of fiber kinking is predicted by the model. LaRC04 consists of 6 expressions that can be used directly for design purposes. Several applications involving a broad range of load combinations are presented and compared to experimental data and other existing criteria. Predictions using LaRC04 correlate well with the experimental data, arguably better than most existing criteria. The good correlation seems to be attributable to the physical soundness of the underlying failure models.

Pinho, Silvestre T.↗

DOE OSTI2022

The Earth Model Column Collaboratory (EMC 2 ) v1.1: an open-source ground-based lidar and radar instrument simulator and subcolumn generator for large-scale models

Abstract. Climate models are essential for our comprehensive understanding of Earth's atmosphere and can provide critical insights on future changes decades ahead. Because of these critical roles, today's climate models are continuously being developed and evaluated using constraining observations and measurements obtained by satellites, airborne, and ground-based instruments. Instrument simulators can provide a bridge between the measured or retrieved quantities and their sampling in models and field observations while considering instrument sensitivity limitations. Here we present the Earth Model Column Collaboratory (EMC2), an open-source ground-based lidar and radar instrument simulator and subcolumn generator, specifically designed for large-scale models, in particular climate models, but also applicable to high-resolution model output. EMC2 provides a flexible framework enabling direct comparison of model output with ground-based observations, including generation of subcolumns that may statistically represent finer model spatial resolutions. In addition, EMC2 emulates ground-based (and air- or space-borne) measurements while remaining faithful to large-scale models' physical assumptions implemented in their cloud or radiation schemes. The simulator uses either single particle or bulk particle size distribution lookup tables, depending on the selected scheme approach, to perform the forward calculations. To facilitate model evaluation, EMC2 also includes three hydrometeor classification methods, namely, radar- and sounding-based cloud and precipitation detection and classification, lidar-based phase classification, and a Cloud Feedback Model Intercomparison Project Observational Simulator Package (COSP) lidar simulator emulator. The software is written in Python, is easy to use, and can be straightforwardly customized for different models, radars, and lidars. Following the description of the logic, functionality, features, and software structure of EMC2, we present a case study of highly supercooled mixed-phase cloud based on measurements from the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) West Antarctic Radiation Experiment (AWARE). We compare observations with the application of EMC2 to outputs from four configurations of the NASA Goddard Institute for Space Studies (GISS) climate model (ModelE3) in single-column model (SCM) mode and from a large-eddy simulation (LES) model. We show that two of the four ModelE3 configurations can form and maintain highly supercooled precipitating cloud for several hours, consistent with observations and LES. While our focus is on one of these ModelE3 configurations, which performed slightly better in this case study, both of these configurations and the LES results post-processed with EMC2 generally provide reasonable agreement with observed lidar and radar variables. As briefly demonstrated here, EMC2 can provide a lightweight and flexible framework for comparing the results of both large-scale and high-resolution models directly with observations, with relatively little overhead and multiple options for achieving consistency with model microphysical or radiation scheme physics.

58 GEOSCIENCES↗

DOE OSTI2024

MOOSE–Workbench Integration and MOOSE Meshing Capability Enhancements to Facilitate Inputs and Outputs for Multiphysics Modeling

The Multiphysics Object-Oriented Simulation Environment (MOOSE) is an open-source framework that supports many of the US Department of Energy’s (DOE’s) Nuclear Energy Advanced Modeling and Simulation (NEAMS) technical areas (TA). These TAs develop and use NEAMS physics and coupling modules in multiple ways to enable the research and development of complex physics models. In addition to the MOOSE framework, the NEAMS Workbench user interface provides a common analysis environment with user-interaction accelerators that streamline the tasks of model creation, review, execution, and output inspection. In FY 2024, objectives were realized in the MOOSE framework application development support and user-oriented improvements. Application development improvements support both developers and users with an expanded Reactor Module and Mesh System, stateful material property support for mortar contact, and customizable convergence criteria. Additionally, new user-oriented features were implemented in the MOOSE framework language server, including autocompletion snippets, definition from source and find reference navigations, and syntax overrides. Lastly, improvements were made to the input interpreter necessary to support the MOOSE language server and the NEAMS Workbench so that they can interact with syntactically incomplete user inputs. These improvements and more were intended to address stakeholder feedback and improve developer and user ability to conduct advanced nuclear energy modeling and simulation in support of DOE and industry needs.

97 - MATHEMATICS AND COMPUTING↗

NASA NTRS1993

Using neural networks to assist in OPAD data analysis

The space shuttle main engine (SSME) became the subject of plume emission spectroscopy in 1986 when researchers from NASA-Marshall Space Flight Center (MSFC), Arnold Engineering Development Center (AEDC), and Rocketdyne went to the SSME test stands at the NASA-Stennis Space Center and at Rocketdyne's Santa Susan Field Laboratory to optically observe the plume. Since then, plume spectral acquisitions have recorded many nominal tests and the qualitative spectral features of the SSME plume are now well established. Significant discoveries made with both wide-band and narrow-band plume emission spectroscopy systems led MSFC to promote the Optical Plume Anomaly Detection (OPAD) program with a goal of instrumenting all SSME test stands with customized spectrometer systems. A prototype OPAD system is now installed on the SSME Technology Test Bed (TTB) at MSFC. The OPAD system instrumentation consists of a broad-band, optical multiple-channel analyzer (OMA) and a narrow-band device called a polychrometer. The OMA is a high-resolution (1.5-2.0 Angstroms) 'super-spectrometer' covering the near-ultraviolet to near-infrared waveband (2800-7400 Angstroms), providing two scans per second. The polychrometer consists of sixteen narrow-band radiometers: fourteen monitoring discrete wavelengths of health and condition monitoring elements and two dedicated to monitoring background emissions. All sixteen channels are capable of providing 500 samples per second. To date, the prototype OPAD system has been used during 43 SSME firings on the TTB, collecting well over 250 megabytes of plume spectral data. One goal of OPAD data analysis is to determine interatively with the help of a computer code, SPECTRA4, developed at AEDC. Experience has shown that iteration with SPECTRA4 is an incredibly labor intensive task and not one to be performed by band. What is really needed is the 'inverse' of SPECTRA4 but the mathematical model for this inverse mapping is tenuous at best. However, the robustness of PSECTRA4 run in the 'forward' direction means that accurate input/output mappings can be obtained. If the mappings were inverted (i.e., input becomes output and output becomes input) then an 'inverse' of SPECTRA4 would be at hand but the 'model' would be specific to the data utilized and would in no way be general. Building a generalized model based upon known input/output mappings while ignoring the details of the governing physical model is possible through the use of a neural network. The research investigation described involves the development of a neural network to provide a generalized 'inverse' of SPECTRA4. The objectives of the research were to design an appropriate neural network architecture, train the network, and then evaluate its performance.

Whitaker, Kevin W.↗

NASA NTRS1994

Quiescent accretion disks in black hole X-ray novae

We present detailed time-resolved spectroscopy of the Balmer emission lines from two black hole binary systems in quiescence, A0620-00 and Nova Muscae 1991. We find extraordinary similarities between the two systems. There are 30-40 km/s velocity variations of the emission lines over the orbital period, the phases of which are not aligned with the expected phase of the motion of the compact primary. Detailed modeling of both systems is complicated by variable hot spot components, regions of optical thickness, and intermittent excess emission in the blue line wings of the H-alpha lines. Both sources also display low velocities at the outer edge of the accretion disk, implying a large primary Roche lobe and extreme mass ratios. These complications suggest that although simple optically thin, Keplerian alpha-disk models provide a useful parameterization of emission lines from these systems, the straightforward physical models they imply should be treated with great caution.

Orosz, Jerome A.↗

NASA NTRS2004

Debris Dispersion Model Using Java 3D

This paper describes web based simulation of Shuttle launch operations and debris dispersion. Java 3D graphics provides geometric and visual content with suitable mathematical model and behaviors of Shuttle launch. Because the model is so heterogeneous and interrelated with various factors, 3D graphics combined with physical models provides mechanisms to understand the complexity of launch and range operations. The main focus in the modeling and simulation covers orbital dynamics and range safety. Range safety areas include destruct limit lines, telemetry and tracking and population risk near range. If there is an explosion of Shuttle during launch, debris dispersion is explained. The shuttle launch and range operations in this paper are discussed based on the operations from Kennedy Space Center, Florida, USA.

Thirumalainambi, Rajkumar↗

NASA NTRS2000

First-Order Frameworks for Managing Models in Engineering Optimization

Approximation/model management optimization (AMMO) is a rigorous methodology for attaining solutions of high-fidelity optimization problems with minimal expense in high- fidelity function and derivative evaluation. First-order AMMO frameworks allow for a wide variety of models and underlying optimization algorithms. Recent demonstrations with aerodynamic optimization achieved three-fold savings in terms of high- fidelity function and derivative evaluation in the case of variable-resolution models and five-fold savings in the case of variable-fidelity physics models. The savings are problem dependent but certain trends are beginning to emerge. We give an overview of the first-order frameworks, current computational results, and an idea of the scope of the first-order framework applicability.

Alexandrov, Natlia M.↗

NASA NTRS2010

Z-Pinch Pulsed Plasma Propulsion Technology Development

Fusion-based propulsion can enable fast interplanetary transportation. Magneto-inertial fusion (MIF) is an approach which has been shown to potentially lead to a low cost, small reactor for fusion break even. The Z-Pinch/dense plasma focus method is an MIF concept in which a column of gas is compressed to thermonuclear conditions by an axial current (I approximates 100 MA). Recent advancements in experiments and the theoretical understanding of this concept suggest favorable scaling of fusion power output yield as I(sup 4). This document presents a conceptual design of a Z-Pinch fusion propulsion system and a vehicle for human exploration. The purpose of this study is to apply Z-Pinch fusion principles to the design of a propulsion system for an interplanetary spacecraft. This study took four steps in service of that objective; these steps are identified below. 1. Z-Pinch Modeling and Analysis: There is a wealth of literature characterizing Z-Pinch physics and existing Z-Pinch physics models. In order to be useful in engineering analysis, simplified Z-Pinch fusion thermodynamic models are required to give propulsion engineers the quantity of plasma, plasma temperature, rate of expansion, etc. The study team developed these models in this study. 2. Propulsion Modeling and Analysis: While the Z-Pinch models characterize the fusion process itself, propulsion models calculate the parameters that characterize the propulsion system (thrust, specific impulse, etc.) The study team developed a Z-Pinch propulsion model and used it to determine the best values for pulse rate, amount of propellant per pulse, and mixture ratio of the D-T and liner materials as well as the resulting thrust and specific impulse of the system. 3. Mission Analysis: Several potential missions were studied. Trajectory analysis using data from the propulsion model was used to determine the duration of the propulsion burns, the amount of propellant expended to complete each mission considered. 4. Vehicle Design: To understand the applicability of Z-Pinch propulsion to interplanetary travel, it is necessary to design a concept vehicle that uses it -- the propulsion system significantly impacts the design of the electrical, thermal control, avionics and structural subsystems of a vehicle. The study team developed a conceptual design of an interplanetary vehicle that transports crew and cargo to Mars and back and can be reused for other missions. Several aspects of this vehicle are based on a previous crewed fusion vehicle study -- the Human Outer Planet Exploration (HOPE) Magnetized Target Fusion (MTF) vehicle. Portions of the vehicle design were used outright and others were modified from the MTF design in order to maintain comparability.

Polsgrove, Tara↗

DOE OSTI2020

"Sintering" Models and In-Situ Experiments: Data Assimilation for Microstructure Prediction in SLS Additive Manufacturing of Nylon Components

Selective laser sintering methods are workhorses for additively manufacturing polymer-based components. The ease of rapid prototyping also means it is easy to produce illicit components. It is necessary to have a data-calibrated in-situ physical model of the build process in order to predict expected and defective microstructure characteristics that inform component provenance. Toward this end, sintering models are calibrated and characteristics such as component defects are explored. This is accomplished by assimilating multiple data streams, imaging analysis, and computational model predictions in an adaptive Bayesian parameter estimation algorithm. From these data sources, along with a phase-field model, bulk porosity distributions are inferred. Model parameters are constrained to physically-relevant search directions by sensitivity analysis, and then matched to predictions using adaptive sampling. Using this feedback loop, data-constrained estimates of sintering model parameters along with uncertainty bounds are obtained.

3D printing, Additive Manufacturing, polymer, sint↗

NASA NTRS1986

Combustion research in the Internal Fluid Mechanics Division

The goal of this research is to bring computational fluid dynamics to a state of practical application for the aircraft engine industry. The approach is to have a strongly integrated computational and experimental program for all the disciplines associated with the gas turbine and other aeropropulsion systems by advancing the understanding of flow physics, heat transfer, and combustion processes. The computational and experimental research is integrated in the following way: the experiments that are performed provide an empirical data set so that physical models can be formulated to describe the processes that are occurring - for example, turbulence or chemical reaction. These experiments also form a data base for those who are doing code development by providing experimental data against which the codes can be verified and assesed. Models are generated as closure to some of the numerical codes, and they also provide physical insight for experiments. At the same time, codes which solve the complete Navier-Stokes equations can be used as a kind of numerical experiment from which far more extensive data can be obtained than ever could be obtained experimentally. This could provide physical insight into the complex processes that are taking place. These codes are also exercised against experimental data to assess the accuracy and applicability of models.

Mularz, Edward J.↗

DOE OSTI2023

A high‐order discontinuous Galerkin approach for physics‐based thermospheric modeling

Abstract The accurate prediction of aerodynamic drag on satellites orbiting in the upper atmosphere is critical to the operational success of modern space technologies, such as satellite‐based communication or navigation systems, which have become increasingly popular in the last few years due to the deployment of constellations of satellites in low‐Earth orbit. As a result, physics‐based models of the ionosphere and thermosphere have emerged as a necessary tool for the prediction of atmospheric outputs under highly variable space weather conditions. This paper proposes a high‐fidelity approach for physics‐based space weather modeling based on the solution of the Navier–Stokes equations using a high‐order discontinuous Galerkin method, combined with a matrix‐free strategy suitable for high‐performance computing on GPU architectures. The approach consists of a thermospheric model that describes a chemically frozen neutral atmosphere in nonhydrostatic equilibrium driven by the external excitation of the Sun. A novel set of variables is considered to treat the low densities present in the upper atmosphere and to accommodate the wide range of scales present in the problem. At the same time, and unlike most existing approaches, radial and angular directions are treated in a nonsegregated approach. The study presents a set of numerical examples that demonstrate the accuracy of the approximation and validate the current approach against observational data along a satellite orbit, including estimates of established empirical and physics‐based models of the ionosphere‐thermosphere system. Finally, a one‐dimensional radial derivation of the physics‐based model is presented and utilized for conducting a parametric study of the main thermal quantities under various solar conditions.

Engineering↗

NASA NTRS1989

Scaling and modeling of turbulent suspension flows

Scaling factors determining various aspects of particle-fluid interactions and the development of physical models to predict gas-solid turbulent suspension flow fields are discussed based on two-fluid, continua formulation. The modes of particle-fluid interactions are discussed based on the length and time scale ratio, which depends on the properties of the particles and the characteristics of the flow turbulence. For particle size smaller than or comparable with the Kolmogorov length scale and concentration low enough for neglecting direct particle-particle interaction, scaling rules can be established in various parameter ranges. The various particle-fluid interactions give rise to additional mechanisms which affect the fluid mechanics of the conveying gas phase. These extra mechanisms are incorporated into a turbulence modeling method based on the scaling rules. A multiple-scale two-phase turbulence model is developed, which gives reasonable predictions for dilute suspension flow. Much work still needs to be done to account for the poly-dispersed effects and the extension to dense suspension flows.

Chen, C. P.↗

NASA NTRS1990

CFD modeling of an arc-heated jet

On the basis of state-of-the-art numerical techniques and physical models, a new CFD program is developed for the simulation of a high-enthalpy reacting ionized thermally relaxing nitrogen plasma in a cylindrical plenum chamber. A preliminary validation by comparison with experimental results was obtained. The algorithm is shown to be very efficient, and the empirical modeling gave results of practical use for the configuration studied.

Rostand, Phillipe↗

NASA NTRS1995

A perspective on computational aerothermodynamics: Current modeling difficulties

Future hypersonic vehicles are going to be designed largely with computational fluid dynamic methods based on appropriate physical models. The question on how much of this design process can be completed with the present state of computational aerothermodynamics is addressed. Some limitations of current models are discussed. It is shown that much more research is required before it will be possible to accurately design a hypersonic vehicle for all of its flight conditions. The quantities that must be computed accurately so that a minimum weight hypersonic vehicle can be designed are discussed. The use of computational fluid dynamics methods coupled with current thermochemical models in order to compute the quantities under specific flow conditions is considered.

Candler, Graham V.↗

NASA NTRS2011

Geospace Environment Modeling 2008-2009 Challenge: Ground Magnetic Field Perturbations

Acquiring quantitative metrics!based knowledge about the performance of various space physics modeling approaches is central for the space weather community. Quantification of the performance helps the users of the modeling products to better understand the capabilities of the models and to choose the approach that best suits their specific needs. Further, metrics!based analyses are important for addressing the differences between various modeling approaches and for measuring and guiding the progress in the field. In this paper, the metrics!based results of the ground magnetic field perturbation part of the Geospace Environment Modeling 2008 2009 Challenge are reported. Predictions made by 14 different models, including an ensemble model, are compared to geomagnetic observatory recordings from 12 different northern hemispheric locations. Five different metrics are used to quantify the model performances for four storm events. It is shown that the ranking of the models is strongly dependent on the type of metric used to evaluate the model performance. None of the models rank near or at the top systematically for all used metrics. Consequently, one cannot pick the absolute winner : the choice for the best model depends on the characteristics of the signal one is interested in. Model performances vary also from event to event. This is particularly clear for root!mean!square difference and utility metric!based analyses. Further, analyses indicate that for some of the models, increasing the global magnetohydrodynamic model spatial resolution and the inclusion of the ring current dynamics improve the models capability to generate more realistic ground magnetic field fluctuations.

Pulkkinen, A.↗

DOE OSTI2021

Modeling the electrochemical behavior and interfacial junction profiles of bipolar membranes at solar flux relevant operating current densities

A 1-dimensional, multi-physics model that accounts for the migration and diffusion of solution species, electrostatics, and chemical reactions, in particular water dissociation (WD), at bipolar membrane (BPM) interfaces was developed to study the electrochemical behavior of bipolar membranes (BPMs) at solar flux relevant operating current densities (tens of mA cm -2 ). Significant partial current densities for WD were observed at BPM voltages much less than the equilibrium voltage, e.g., 59 mV × ΔpH from both experiments and modeling. The co-ion leakage across the BPM at pH differentials accounted for the early presence of the partial current density for WD. Two distinctive electric field dependent WD pathways, the un-catalyzed pathway and the catalyzed pathway, were quantitatively and parametrically studied to improve the turn-on potential of the BPM. The catalyzed pathway accounted for the majority of the partial current density for WD at low voltages, while the un-catalyzed pathway dominated the WD at relatively high voltages. Significant WD was observed only within the interfacial CL (<5 nm), in which a large electric field was present. To improve the electrochemical behavior and the turn-on potential of BPMs, the impacts of the pKa of the immobilized WD catalysts, the electric-field dependent rate constant, the thickness of the catalyst layer and fixed charge density in BPMs on the partial current densities for WD were studied systematically. In addition, the electrochemical behavior and concentration profiles of BPMs in a buffered electrolyte were studied and contrasted with those in an un-buffered electrolyte from both modeling and experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Physics-Informed Machine Learning Models for Predicting the Progress of Reactive-Mixing

This paper presents a physics-informed machine learning (ML) framework to construct reduced-order models (ROMs) for reactive-transport quantities of interest (QoIs) based on high-fidelity numerical simu-lations. QoIs include species decay, product yield, and degree of mixing. The ROMs for QoIs are applied to quantify and understand how the chemical species evolve over time. First, high-resolution datasets for constructing ROMs are generated by solving anisotropic reaction-di?usion equations using a non-negative finite element formulation for di?erent input parameters. The reactive-mixing model input parameters are: time-scale associated with flipping of velocity, spatial-scale controlling small/large vortex structures of velocity, perturbation parameter of the vortex-based velocity, anisotropic dispersion strength/contrast, and molecular diffusion. Second, random forests, F-test, and mutual information criterion are used to evaluate the importance of model inputs/features with respect to QoIs. We observed that anisotropic dispersion strength/contrast is the most important feature and time-scale associated with flipping of velocity is the least important feature. Third, Support Vector Machines (SVM) and Support Vector Regression (SVR) are used to construct ROMs based on the model inputs. The constructed SVR-ROMs are then used to predict scaling of QoIs. We also present estimates and inequalities on the QoIs, which inform that the species decay, mix, and produce in an exponential fashion. These inequalities also inform that a radial basis function is the most suitable kernel for the SVM/SVR models for QoIs. It is observed that R2-score for SVR-ROMs on unseen data is greater than 0.9, implying that the SVR-ROMs are able to predict the reaction-diffusion system state reasonably well. Finally, in terms of the computational cost, the proposed SVM-ROMs are O(107) times faster than running a high-fidelity finite element simulation for evaluating QoIs. This makes the proposed ML-based ROMs attractive for reactive-transport sensing and real-time monitoring applications as they are significantly faster yet reasonably accurate.

Mudunuru, Maruti K.↗

DOE OSTI2020

Tensor factorization for elucidating mechanisms of piezoresponse relaxation via dynamic Piezoresponse Force Spectroscopy

Spatially resolved time and voltage-dependent polarization dynamics in PbTiO 3 thin films is explored using dynamic piezoresponse force microscopy (D-PFM) in conjunction with interferometric displacement sensing. This approach gives rise to 4D data sets containing information on bias-dependent relaxation dynamics at each spatial location without long-range electrostatic artifacts. To interpret these data sets in the absence of defined physical models, we employ a non-negative tensor factorization method which clearly presents the data as a product of simple behaviors allowing for direct physics interpretation. Correspondingly, we perform phase-field modeling finding the existence of ‘hard’ and ‘soft’ domain wall edges. This approach can be extended to other multidimensional spectroscopies for which even exploratory data analysis leads to unsatisfactory results due to many components in the decomposition.

36 MATERIALS SCIENCE↗