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NASA Tech Briefs, October 1994

Topics: Data Acquisition and Analysis; Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery; Fabrication Technology; Mathematics and Information Sciences; Life Sciences; Books and Reports

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NASA Tech Briefs, March 1998

Topics include: special coverage of computer aided design and engineering, electronic components and circuits, electronic systems, physical sciences, materials, computer software, special coverage on mechanical technology, machinery/automation, manufacturing/fabrication, mathematics and information sciences, book and reports, and a special section of Electronics Tech Briefs. Profiles of the exhibitors at the National Design Engineering show are also included in this issue.

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Basis And Application Of The CARES/LIFE Computer Program

Report discusses physical and mathematical basis of Ceramics Analysis and Reliability Evaluation of Structures LIFE prediction (CARES/LIFE) computer program, described in "Program for Evaluation of Reliability of Ceramic Parts" (LEW-16018).

Nemeth, Noel N.↗

A Robust Machine Learning Schema for Developing, Maintaining, and Disseminating Machine Learning Models

Recent advances in the development of machine learning (ML) algorithms have enabled the creation of predictive models that can improve decision making, decrease computational cost, and improve efficiency in a variety of fields. As an organization begins to develop and implement such models, the data used in the training, validation, and testing of ML models, the model parameters, and the use cases or limitations of the models must be properly stored to ensure models are both fully traceable and used correctly. In the context of predicting material behavior, advances in computationally intense, physics-based modeling of material behavior at various length scales and the emergence of Integrated Computational Materials Engineering (ICME) have driven the need for developing data-driven surrogate models of the physics-based simulation tools using ML techniques. Surrogate model development allows for accurate material behavior prediction at a fraction of the cost of its physics-based counterpart, allowing for multiscale simulations of real-world applications, further enabling the ability to design fit-for-purpose materials for a reasonable computational investment. However, training such models requires extensive data, and thus, effective data management is necessary to reach the full potential that ML can offer to material design and ICME. This paper proposes a generalized, robust schema that allows organizations to store both real (experimental) and virtual (simulation) data used to train ML models and the defining model parameters and architectures within the Granta MI Platform. The developed schema allows for various types of data inputs and outputs, including single point values, time-series data, and images that can be used in the prediction of material behavior, while following outlined best practices for effective data management. An effective schema for ML data and models can help prevent the recreation of virtual/real training data and surrogate models, help reduce the time to create new models similar to existing ones by offering a starting point in the hyperparameter determination stages, minimize resources devoted to verification and validation (V&V) and certification of models, and ensure that data and surrogate models are not misused due to full traceability of both the data and ML model. It also allows organizations access to models that have already been developed, such that they can be used in the design of new materials, enabling the overall goals of ICME.

Brandon L. Hearley↗

Predicting Fiber Failure of Plain Weave Fabric with Recursive Multiscale Micromechanics

Recent advances in the development of machine learning (ML) algorithms have enabled the creation of predictive models that can improve decision making, decrease computational cost, and improve efficiency in a variety of fields. As an organization begins to develop and implement such models, the data used in the training, validation, and testing of machine learning models, the model parameters, and the use cases or limitations of the models must be properly stored to ensure models are both fully traceable and used correctly. In the context of predicting material behavior, advances in computationally intense, physics-based, modeling of material behavior at various length scales, and the emergence of Integrated Computational Materials Engineering (ICME) have driven the need for developing data-driven surrogate models of the physics-based simulation tools using machine learning (ML) techniques. Surrogate model development allows for accurate material behavior prediction at a fraction of the cost of its physics-based counterpart, allowing for multiscale simulations of real-world applications, further enabling the ability to design fit-for-purpose materials for a reasonable computational investment. However, training such models requires extensive data, and thus effective data management is necessary to reach the full potential that ML can offer to material design and ICME. This paper proposes a generalized, robust schema that allows organizations to store both real (experimental) and virtual (simulation) data used to train machine learning models and the defining model parameters and architectures. The developed schema allows for various types of data inputs and outputs, including single point values, time-series data, and images that can be used in for various types of machine learning models while following outlined best practices for effective data management. An effective schema for machine learning data and models can help prevent the recreation of virtual/real training data and surrogate models, can help reduce the time to create new models similar to existing ones by offering a starting point in the hyperparameter determination stages, minimize resources devoted to verification and validation (V&V) and certification of models, and ensure that data and surrogate models are not misused due to full traceability of both the data and ML model. It also allows organizations access to models that have already been developed, such that they can be used in the design of new materials, enabling the overall goals of ICME.

Failure↗

Computer networks for remote laboratories in physics and engineering

This paper addresses a relatively new approach to scientific research, telescience, which is the conduct of scientific operations in locations remote from the site of central experimental activity. A testbed based on the concepts of telescience is being developed to ultimately enable scientific researchers on earth to conduct experiments onboard the Space Station. This system along with background materials are discussed.

Starks, Scott↗

A Simple Physical Optics Algorithm Perfect for Parallel Computing Architecture

A reflector antenna computer program based upon a simple discreet approximation of the radiation integral has proven to be extremely easy to adapt to the parallel computing architecture of the modest number of large-gain computing elements such as are used in the Intel iPSC and Touchstone Delta parallel machines.

reflector antenna Intel iPSC Touchstone Delta↗

Time-dependent finite-difference simulation of unsteady interactive flows

The solution of the time-dependent, Reynolds-averaged, Navier-Stokes equations for unsteady, interacting flows by finite-difference algorithms is discussed. Specific examples include (1) unsteady transonic flow over a thick biconvex airfoil, (2) determination of buffet boundaries for a transonic lifting airfoil, (3) the simulation of aileron buzz and (4) dynamic stall. Algorithms considered include explicit methods, mixed (or hybrid) methods, and fully implicit methods. Consideration of time scales for computational stability, computational accuracy, and physical accuracy and the use of time-dependent adaptive meshing to realize computational efficiency are also discussed.

Deiwert, G. S.↗

Evaluation of Navier-Stokes and Euler solutions for leading-edge separation vortices

Extensive study on the numerical simulation of the vortical flow over a double delta wing is carried out using the thin layer Navier-Stokes and Euler equations. Two important flow characteristics, vortex interaction and vortex breakdown, are successfully simulated. Grid resolution is one of the most important factors associated with the vortex problem. Computations were performed on a series of grids with various levels of refinement, coarse, medium, and fine. Computations using either the coarse or medium grids fail to capture the proper physical phenomena. The computed result using a fine grid shows flow unsteadiness once the vortex breakdown takes place. The C sub L - alpha characteristics are well predicted up to the breakdown angle of attack for all the grid distributions. The Euler solutions show fairly good agreement with the experiment on the C sub L - alpha characteristics. However, other aspects of the solution at each angle of attack, such as the locus of the leading edge separation vortex, are not consistent with the experiment. Even for the fine grid Navier-Stokes computations, further grid resolution is required to obtain good quantitative agreement with the experiment.

Fujii, K.↗

Evaluation of Navier-Stokes and Euler solutions for leading-edge separation vortices

Extensive study on the numerical simulation of the vortical flow over a double delta wing is carried out using the thin layer Navier-Stokes and Euler equations. Two important flow characteristics, vortex interaction and vortex breakdown, are successfully simulated. Grid resolution is one of the most important factors associated with the vortex problem. Computations were performed on a series of grids with various levels of refinement, coarse, medium, and fine. Computations using either the coarse or medium grids fail to capture the proper physical phenomena. The computed result using a fine grid shows flow unsteadiness once the vortex breakdown takes place. The C sub L - alpha characteristics are well predicted up to the breakdown angle of attack for all the grid distributions. The Euler solutions show fairly good agreement with the experiment on the C sub L - alpha characteristics. However, other aspects of the solution at each angle of attack, such as the locus of the leading edge separation vortex, are not consistent with the experiment. Even for the fine grid Navier-Stokes computations, further grid resolution is required to obtain good quantitative agreement with the experiment.

Fujii, K.↗

Algebraic surface design and finite element meshes

Some of the techniques are summarized which are used in constructing C sup 0 and C sup 1 continuous meshes of low degree, implicitly defined, algebraic surface patches in three dimensional space. These meshes of low degree algebraic surface patches are used to construct accurate computer models of physical objects. These meshes are also used in the finite element simulation of physical phenomena (e.g., heat dissipation, stress/strain distributions, fluid flow characteristics) required in the computer prototyping of both the manufacturability and functionality of the geometric design.

Bajaj, Chandrajit L.↗

NASA Tech Briefs, January 2000

Topics include: Data Acquisition; Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Bio-Medical; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Information Sciences; Books and reports.

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NASA Tech Briefs, June 2000

Topics include: Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Test and Measurement; Physical Sciences; Materials; Computer Programs; Computers and Peripherals;

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NASA Tech Briefs, July 2000

Topics covered include: Data Acquisition; Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Test and Measurement; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information Sciences; Life Sciences; Books and Reports.

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NASA Tech Briefs, November 2000

Topics covered include: Computer-Aided Design and Engineering; Electronic Components and Circuits; Electronic Systems; Test and Measurement; Physical Sciences; Materials; Computer Programs; Mechanics; Machinery/Automation; Manufacturing/Fabrication; Mathematics and Information Sciences; Data Acquisition.

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Atomistic Method Applied to Computational Modeling of Surface Alloys

The formation of surface alloys is a growing research field that, in terms of the surface structure of multicomponent systems, defines the frontier both for experimental and theoretical techniques. Because of the impact that the formation of surface alloys has on surface properties, researchers need reliable methods to predict new surface alloys and to help interpret unknown structures. The structure of surface alloys and when, and even if, they form are largely unpredictable from the known properties of the participating elements. No unified theory or model to date can infer surface alloy structures from the constituents properties or their bulk alloy characteristics. In spite of these severe limitations, a growing catalogue of such systems has been developed during the last decade, and only recently are global theories being advanced to fully understand the phenomenon. None of the methods used in other areas of surface science can properly model even the already known cases. Aware of these limitations, the Computational Materials Group at the NASA Glenn Research Center at Lewis Field has developed a useful, computationally economical, and physically sound methodology to enable the systematic study of surface alloy formation in metals. This tool has been tested successfully on several known systems for which hard experimental evidence exists and has been used to predict ternary surface alloy formation (results to be published: Garces, J.E.; Bozzolo, G.; and Mosca, H.: Atomistic Modeling of Pd/Cu(100) Surface Alloy Formation. Surf. Sci., 2000 (in press); Mosca, H.; Garces J.E.; and Bozzolo, G.: Surface Ternary Alloys of (Cu,Au)/Ni(110). (Accepted for publication in Surf. Sci., 2000.); and Garces, J.E.; Bozzolo, G.; Mosca, H.; and Abel, P.: A New Approach for Atomistic Modeling of Pd/Cu(110) Surface Alloy Formation. (Submitted to Appl. Surf. Sci.)). Ternary alloy formation is a field yet to be fully explored experimentally. The computational tool, which is based on the BFS (Bozzolo, Ferrante, and Smith) method for the calculation of the energetics, consists of a small number of simple PCbased computer codes that deal with the different aspects of surface alloy formation. Two analysis modes are available within this package. The first mode provides an atom-by-atom description of real and virtual stages 1. during the process of surface alloying, based on the construction of catalogues of configurations where each configuration describes one possible atomic distribution. BFS analysis of this catalogue provides information on accessible states, possible ordering patterns, and details of island formation or film growth. More importantly, it provides insight into the evolution of the system. Software developed by the Computational Materials Group allows for the study of an arbitrary number of elements forming surface alloys, including an arbitrary number of surface atomic layers. The second mode involves large-scale temperature-dependent computer 2. simulations that use the BFS method for the energetics and provide information on the dynamic processes during surface alloying. These simulations require the implementation of Monte-Carlo-based codes with high efficiency within current workstation environments. This methodology capitalizes on the advantages of the BFS method: there are no restrictions on the number or type of elements or on the type of crystallographic structure considered. This removes any restrictions in the definition of the configuration catalogues used in the analytical calculations, thus allowing for the study of arbitrary ordering patterns, ultimately leading to the actual surface alloy structure. Moreover, the Monte Carlo numerical technique used for the large-scale simulations allows for a detailed visualization of the simulated process, the main advantage of this type of analysis being the ability to understand the underlying features that drive these processes. Because of the simplicity of the BFS method for e energetics used in these calculations, a detailed atom-by-atom analysis can be performed at any point in the simulation, providing necessary insight on the details of the process. The main objective of this research program is to develop a tool to guide experimenters in understanding and interpreting often unexpected results in alloy formation experiments. By reducing the computational effort without losing physical accuracy, we expect that powerful simulation tools will be developed in the immediate future, which will allow material scientists to easily visualize and analyze processes at a level not achievable experimentally.

Bozzolo, Guillermo H.↗

Early orbit determination scheme for the Juno space vehicle

The present status (1959-60) of the ABMA early orbit determination scheme for the Juno space vehicle is described. The design of the scheme was essentially influenced by three factors: its origin centered around postflight vehicle analysis, the flexibility required for accepting varied kinds of data, and the potential of highspeed computers concentrated in ABMA's Computation Laboratory. The scheme is outlined, the tracking stations participating are shortly described, and the physical layout and computational equipment are briefly mentioned. The evaluation techniques used for the various steps of the orbit determination are discussed in detail. Appendices describe briefly the principal coordinate systems used and characteristics of the digital computer programs.

Fletcher Kurtz↗

NASA Tech Briefs, August 1995

There is a special focus on computer graphics and simulation in this issue. Topics covered include : Electronic Components and Circuits; Electronic Systems; Physical Sciences; Materials; Computer programs, Mechanics; Machinery; Fabrication Technology; and Mathematics and Information Sciences. There is a section on for Laser Technology, which includes a feature on Moving closer to the suns power.

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