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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 793 records · Page 44

Ranges of applicability for the continuum beam model in the mechanics of carbon nanotubes and nanorods

Limitations in the validity of the continuum beam model for carbon nanotubes (NTs) and nanorods are examined. Applicability of all assumptions used in the model is restricted by the two criteria for geometric parameters that characterize the structure of NTs. The key non-dimensional parameters that control the NT buckling behavior are derived via dimensional analysis of the nanomechanical problem. A mechanical law of geometric similitude for NT buckling is extended from continuum mechanics for different molecular structures. A model applicability map, where two classes of beam-like NTs are identified, is constructed for distinct ranges of non-dimensional parameters. Expressions for the critical buckling loads and strains are tailored for two classes of NTs and compared with the data provided by the molecular dynamics simulations. copyright 2001 Elsevier Science Ltd. All rights reserved.

Continuum beam model↗

Application of community data to surface complexation modeling framework development: Iron oxide protolysis

This study presents a comprehensive community data-driven surface complexation modeling framework for simulating potentiometric titration of mineral surfaces. Compiled community data for ferrihydrite, goethite, hematite, and magnetite are fit to produce representative protolysis constants that can reproduce potentiometric titration data collected from multiple literature sources. Using this framework, the impact of surface complexation model type and surface site density (SSD) on the fit quality and protolysis constants can be readily evaluated. For example, the non-electrostatic model yielded a poor data fit compared to diffuse double layer model and constant capacitance models due to the absence of known surface charge effects. Regardless of the choice of iron oxide mineral, pK a1 decreased with increasing SSD while the opposite tendency was observed for pK a2 . This newly developed framework demonstrates a method to reconcile community data-wide potentiometric titration data using Findable, Accessible, Interoperable, Reusable data principles to produce mineral protolysis constants that improve robustness of surface complexation models for applications in metal sorption and reactive transport modeling. The framework is readily expandable (as community data increase) and extensible (as the number of minerals increase). The framework provides a path forward for developing self-consistent, comprehensive, and updateable surface complexation databases for surface complexation and reactive transport modeling.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Realistic fuel spray modeling for gasoline direct injection engine applications

Fuel spray modeling plays a critical role during modern gasoline direct injection (GDI) engine development due to fuel injection’s dominant impact on engine performance and emissions as well as the complex physical processes involved. In engineering three-dimensional (3D) computational fluid dynamics (CFD) simulations, the liquid-phase fuel atomization, evaporation, and mixing are usually modeled with the discrete droplet model (DDM) adopting a Lagrangian approach for multiphase CFD simulations. To this end, general practices heavily depend on the reduced order characterization of the injector nozzle flow. However, such simplified injector modeling may lead to insufficient representations of the complex spray dynamics. To tackle this problem, this study proposes a novel workflow to numerically evaluate GDI sub-cooled and flash-boiling sprays under engine-relevant conditions using a side-mounted GDI injector together with real gasoline fuel properties. The workflow introduces a one-way coupling (OWC) method leveraging high-fidelity nozzle flow simulations to provide realistic boundary conditions to the Lagrangian injector model. The proposed workflow was first verified in a constant volume chamber (CVC) environment and then implemented in a practical GDI engine setup to study spray morphology, fuel-air mixing, and wall-wetting propensity. In addition, detailed comparison was performed between the OWC method and the conventional rate of injection (ROI) routine. In conclusion, quantitative analysis of spray characteristics was conducted to highlight possible source of discrepancies of the conventional ROI method.

33 ADVANCED PROPULSION SYSTEMS↗

Graphics Processing Units (GPU) and the Goddard Earth Observing System atmospheric model (GEOS-5): Implementation and Potential Applications

Earth system models like the Goddard Earth Observing System model (GEOS-5) have been pushing the limits of large clusters of multi-core microprocessors, producing breath-taking fidelity in resolving cloud systems at a global scale. GPU computing presents an opportunity for improving the efficiency of these leading edge models. A GPU implementation of GEOS-5 will facilitate the use of cloud-system resolving resolutions in data assimilation and weather prediction, at resolutions near 3.5 km, improving our ability to extract detailed information from high-resolution satellite observations and ultimately produce better weather and climate predictions

Putnam, William M.↗

Explicit Cloud Representation in the Atmos 1D Climate Model for Earth and Rocky Planet Applications

1D climate models are less sophisticated than 3D global circulation models (GCMs), however their computational time is much less expensive, allowing a large number of runs in a short period of time to explore a wide parameter space. Exploring parameter space is particularly important for predicting the observable properties of exoplanets, for which few parameters are known with certainty. Therefore, 1D climate models are still very useful tools for planetary studies. In most of these 1D models, clouds are not physically represented in the atmosphere, despite having a well-known, significant impact on a planetary radiative budget. This impact is simulated by artificially raising surface albedo, in order to reproduce the observed-averaged surface temperature (i.e. 288 K for modern Earth) and a radiative balance at the top of the atmosphere. This non-physical representation of clouds, causes atmospheric long wave and shortwaves fluxes to not match observational data. Additionally, this technique represents a parameter that is highly-tuned to modern Earth’s climate, and may not be appropriate for planets that deviate from modern Earth’s climate conditions. In this paper, we present an update to the climate model within the Atmos 1­D atmospheric modeling package with a physical representation of clouds. We show that this physical representation of clouds in the atmosphere allows both long wave and shortwave fluxes to match observational data. This improvement will allow us to study the energy fluxes for a variety of cloudy rocky planets, and increase our confidence in future simulations of temperature profile and net energy balance.

Thomas Fauchez↗

The RAM-SCB model and its applications to advance space weather forecasting

Energetic particle fluxes that are part of the Earth’s ring current and radiation belts can intensify significantly during space weather events like geomagnetic storms and could cause severe damage to satellite-based technologies. Understanding the physical processes that control their dynamics and improving our capability for their prediction is thus extremely important. In the context of space weather applications and user needs, this paper provides a brief description of our kinetic ring current-atmosphere interactions model with self-consistent magnetic field (RAM-SCB) and its further extension to implement a self-consistent electric (E) field. Specific examples that demonstrate RAM-SCB capabilities and limitations to reproduce the near-Earth space weather environment are given. In this paper, the current status of RAM-SCB is assessed and plans for its further improvement are discussed.

79 ASTRONOMY AND ASTROPHYSICS↗

Stochastic multiscale modeling for quantifying statistical and model errors with application to composite materials

This paper provides a coherent and efficient computational framework for stochastic multiscale analysis of material systems in the presence of parametric uncertainties and modeling errors. Uncertainty in those model parameters that are not deduced as upscaled quantities is attributed to an uncertainty “germ”. While such parameters can appear at any scale, they are predominant at the finest analysis scale. Additional uncertainties stemming from statistical estimation, attributed to lack of data and model error, are associated with each submodel contributing to the multiscale system. Here, a robust and efficient framework based on a generalized extended polynomial chaos expansion (gEPCE) is proposed to simultaneously propagate all these uncertainties in order to provide a probabilistic representation of specific quantities of interest (QoI). We characterize the full probability distribution of the QoI and the uncertainty in the failure probability pertaining to its tails. By combining gEPCE with kernel density estimation (KDE) and directional derivatives, we construct sensitivity measures that connect these statistical metrics of QoI to the various sources of uncertainty to assess their individual and combined impacts. An illustrative problem featuring three-point bending of a composite beam is investigated to demonstrate the presented approach.

36 MATERIALS SCIENCE↗

Scalable Topological Data Analysis and Visualization for Evaluating Data-Driven Models in Scientific Applications

With the rapid adoption of machine learning techniques for large-scale applications in science and engineering comes the convergence of two grand challenges in visualization. First, the utilization of black box models (e.g., deep neural networks) calls for advanced techniques in exploring and interpreting model behaviors. Second, the rapid growth in computing has produced enormous datasets that require techniques that can handle millions or more samples. Although some solutions to these interpretability challenges have been proposed, they typically do not scale beyond thousands of samples, nor do they provide the high-level intuition scientists are looking for. Here, we present the first scalable solution to explore and analyze high-dimensional functions often encountered in the scientific data analysis pipeline. By combining a new streaming neighborhood graph construction, the corresponding topology computation, and a novel data aggregation scheme, namely topology aware datacubes, we enable interactive exploration of both the topological and the geometric aspect of high-dimensional data. Following two use cases from high-energy-density (HED) physics and computational biology, we demonstrate how these capabilities have led to crucial new insights in both applications.

97 MATHEMATICS AND COMPUTING↗

Highlights of Transient Plume Impingement Model Validation and Applications

This paper describes highlights of an ongoing validation effort conducted to assess the viability of applying a set of analytic point source transient free molecule equations to model behavior ranging from molecular effusion to rocket plumes. The validation effort includes encouraging comparisons to both steady and transient studies involving experimental data and direct simulation Monte Carlo results. Finally, this model is applied to describe features of two exotic transient scenarios involving NASA Goddard Space Flight Center satellite programs.

Woronowicz, Michael↗

Surface matching for correlation of virtual models: Theory and application

Virtual reality can enable a robot user to off line generate and test in a virtual environment a sequence of operations to be executed by the robot in an assembly cell. Virtual models of objects are to be correlated to the real entities they represent by means of a suitable transformation. A solution to the correlation problem, which is basically a problem of 3-dimensional adjusting, has been found exploiting the surface matching theory. An iterative algorithm has been developed, which matches the geometric surface representing the shape of the virtual model of an object, with a set of points measured on the surface in the real world. A peculiar feature of the algorithm is to work also if there is no one-to-one correspondence between the measured points and those representing the surface model. Furthermore the problem of avoiding convergence to local minima is solved, by defining a starting point of states ensuring convergence to the global minimum. The developed algorithm has been tested by simulation. Finally, this paper proposes a specific application, i.e., correlating a robot cell, equipped for biomedical use with its virtual representation.

Caracciolo, Roberto↗

A nanosecond pulsed discharge circuit model for engine applications

Non-equilibrium plasma discharges in spark gaps have been an increasingly studied method for alleviating cycle to cycle variation in lean and dilute combustion environments. However, ignition models that account for streamer propagation, cathode fall, and transmission line amplification over nanosecond time scales have so far not been developed. The present study develops such a model, with emphasis on the energy delivered from circuit to cylinder. Here, key pieces of the relevant physics and chemistry are summarized, simplified, and systematically coupled to one another. The set of parameters is limited to a handful of key observables and modeled using Modelica. Results show non-trivial behavior in the energy delivery characteristics of such discharges with important implications for ignition.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Method of curved models and its application to the study of curvilinear flight of airships. Part I

In the first part of this paper we shall present the theoretical side of the problem of constructing curved model forms and the method of testing the model. In the second part we shall present a detailed account of the first experiments according to the given method, carried out with a curved model of the nonrigid airship V-2, and a comparison of the experimental results with some data of full-scale tests made with this airship in 1933.

Gourjienko, G A↗

An Annotative Review of Multiscale Modeling and its Application to Scales Inherent in the Field of ICME

In order to obtain a general understanding of the rich and diverse research being conducted in the area of multiscale modeling (MM), an overview is conducted with a special focus on composite materials. The objective is to glean both qualitative and quantitative information with regards to MM efforts with intentions of revealing some issues that may enable the field of Integrated Computational Materials Engineering (ICME) as well as providing a starting point for specialists and non-specialists in the area of MM with regards to a variety of classifications.

Sullivan, Rani W.↗

The Effect of Nondeterministic Parameters on Shock-Associated Noise Prediction Modeling

Engineering applications for aircraft noise prediction contain models for physical phenomenon that enable solutions to be computed quickly. These models contain parameters that have an uncertainty not accounted for in the solution. To include uncertainty in the solution, nondeterministic computational methods are applied. Using prediction models for supersonic jet broadband shock-associated noise, fixed model parameters are replaced by probability distributions to illustrate one of these methods. The results show the impact of using nondeterministic parameters both on estimating the model output uncertainty and on the model spectral level prediction. In addition, a global sensitivity analysis is used to determine the influence of the model parameters on the output, and to identify the parameters with the least influence on model output.

Dahl, Milo D.↗

Background Error Covariance Estimation Using Information from a Single Model Trajectory with Application to Ocean Data Assimilation

An attractive property of ensemble data assimilation methods is that they provide flow dependent background error covariance estimates which can be used to update fields of observed variables as well as fields of unobserved model variables. Two methods to estimate background error covariances are introduced which share the above property with ensemble data assimilation methods but do not involve the integration of multiple model trajectories. Instead, all the necessary covariance information is obtained from a single model integration. The Space Adaptive Forecast error Estimation (SAFE) algorithm estimates error covariances from the spatial distribution of model variables within a single state vector. The Flow Adaptive error Statistics from a Time series (FAST) method constructs an ensemble sampled from a moving window along a model trajectory.SAFE and FAST are applied to the assimilation of Argo temperature profiles into version 4.1 of the Modular Ocean Model (MOM4.1) coupled to the GEOS-5 atmospheric model and to the CICE sea ice model. The results are validated against unassimilated Argo salinity data. They show that SAFE and FAST are competitive with the ensemble optimal interpolation (EnOI) used by the Global Modeling and Assimilation Office (GMAO) to produce its ocean analysis. Because of their reduced cost, SAFE and FAST hold promise for high-resolution data assimilation applications.

Error Covariance↗

Efficient and Accurate Explicit Integration Algorithms with Application to Viscoplastic Models

Several explicit integration algorithms with self-adative time integration strategies are developed and investigated for efficiency and accuracy. These algorithms involve the Runge-Kutta second order, the lower Runge-Kutta method of orders one and two, and the exponential integration method. The algorithms are applied to viscoplastic models put forth by Freed and Verrilli and Bodner and Partom for thermal/mechanical loadings (including tensile, relaxation, and cyclic loadings). The large amount of computations performed showed that, for comparable accuracy, the efficiency of an integration algorithm depends significantly on the type of application (loading). However, in general, for the aforementioned loadings and viscoplastic models, the exponential integration algorithm with the proposed self-adaptive time integration strategy worked more (or comparably) efficiently and accurately than the other integration algorithms. Using this strategy for integrating viscoplastic models may lead to considerable savings in computer time (better efficiency) without adversely affecting the accuracy of the results. This conclusion should encourage the utilization of viscoplastic models in the stress analysis and design of structural components.

Arya, Vinod K.↗