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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 1,081 records · Page 60

A computational procedure for multibody systems including flexible beam dynamics

A computational procedure suitable for the solution of equations of motions for flexible multibody systems has been developed. The flexible beams are modeled using a fully nonlinear theory which accounts for both finite rotations and large deformations. The present formulation incorporates physical measures of conjugate Cauchy stress and covariant strain increments. As a consequence, the beam model can easily be interfaced with real-time strain measurements and feedback control systems. A distinct feature of the present work is the computational preservation of total energy for undamped systems; this is obtained via an objective strain increment/stress update procedure combined with an energy-conserving time integration algorithm which contains an accurate update of angular orientations. The procedure is demonstrated via several example problems.

Downer, J. D.↗

Remote sensing of sea ice thickness by a combined spatial and frequency domain interferometer : formulations, instrument design & development

The thickness of Arctic sea ice plays a critical role in Earth's climate and ocean circulation. An accurate measurement of this parameter on synoptic scales at regular intervals would enable characterization of this important component for the understanding of ocean circulation and the global heat balance. Presented in this paper is a low frequency VHF interferometer technique and associated radar instrument design to measure sea ice thickness based on the use of backscatter correlation functions. The sea ice medium is represented as a multi-layered medium consisting of snow, seaice and sea water, with the interfaces between layers characterized as rough surfaces. This technique utilizes the correlation of two radar waves of different frequencies and incident and observation angles, scattered from the sea ice medium. The correlation functions relate information about the sea ice thickness. Inversion techniques such as the genetic algorithm, gradient descent, and least square methods, are used to derive sea ice thickness from the phase information related by the correlation functions.

remote sensing↗

Investigation of microwave backscatter from the air-sea interface

Monitoring the ocean surface winds and mean ocean surface level is essential for improving our knowledge of the climate. Two instruments that may provide us with this information are satellite-based scatterometers and altimeters. However, these instruments measure the backscatter characteristics of the ocean surface from which other physical parameters, such as the wind speed or ocean surface height, are derived. To improve the algorithms or models that relate the electromagnetic backscatter to the desired physical parameters, the University of Massachusetts (UMass) Microwave Remote Sensing Laboratory (MIRSL) designed and fabricated three airborne scatterometers: a C-band scatterometer (CSCAT), Ku-band scatterometer (KUSCAT) and C/Ku-band scatterometer (EMBR). One or more of these instruments participated in the Electromagnetic Bias experiment (EM Bias), Shelf Edge Exchange Processes experiment (SEEP), Surface Wave Dynamics Experiment (SWADE), Southern Ocean Wave Experiment (SOWEX), Hurricane Tina research flights, Tropical Ocean Global Atmosphere Coupled Ocean-Atmosphere Response Experiment (TOGA COARE), and Ladir In-space Technology Experiment (LITE). This document describes the three scatterometers, summarizes our measurement campaigns and major contributions to the scientific and engineering communities, lists the publications that resulted, and presents the degrees earned under the support of this NASA grant.

Mcintosh, Robert E.↗

Derivative interface conditions for multiblock grids

Methods are developed for computing numerical solutions along block boundaries, even when there is a discontinuity in the grid lines or slopes. The technique is based on matching derivatives and does not require overlapping and interpolation of solution values at block boundaries. The comparison of block boundary values is implicit and has proven to be stable for both implicit and explicit numerical algorithms. Examples are included for the numerical solution of the Euler equations for compressible flow on grids with both grid line discontinuities and discontinuous slopes at block boundaries.

Mastin, C. W.↗

The Octopus processor for the CMS L1 muon trigger for High Luminosity LHC

The upgraded L1 muon trigger system of the CMS experiment in the High Luminosity Large Hadron Collider is based on custom processors featuring large Field Programmable Gate Arrays (FPGAs) connected by large numbers of optical links. These provide the I/O bandwidth and power necessary to process the complex algorithms used during the collection of physics data. The design and performance requirements of these processors creates significant challenges in signal integrity, power delivery, and thermal management. In this paper we describe the Octopus processor, featuring a large Xilinx Virtex Ultrascale+ FPGA and up to 128 links interfaced to optics through high quality twin-ax copper cables. Results on signal integrity at 25 Gb/s and the first demonstration of 50+ Gb/s links with pluggable optics in CMS are also shown, demonstrating bit error rates below 10 –15 at a 95% confidence level. The thermal performance is measured inside an Advanced-TCA crate with acceptable thermal margins up to 200 W of chip power. Future improvements are mentioned, potentially allowing operation at up to 300 W.

Instruments & Instrumentation↗

Generalized master equation for particle transport in binary random media with renewal statistics

Particle transport in binary stochastic mixtures is classically modeled assuming Markovian or exponential mixing statistics but in many applications material memory invalidates the Markov assumption. For non-Markovian mixing characterized by alternating renewal processes, a transport-theoretic framework is presented that provides an exact description of transport in nonscattering random binary media with general non-exponential statistics. Our approach is to Markovianize the problem by augmenting the {material type, particle flux} state space with the age or distance from the last interface. A Chapman-Kolmogorov equation is formulated for the joint probability density of the material type, particle flux, and age, and subsequently reduced to a generalized Master equation (GME) in differential form. This constitutes the primary result of this work. A state-updating Monte Carlo algorithm consistent with the GME is developed and benchmarked against analytical solutions for multiple chord-length laws. For purely absorbing renewal statistical media, the GME reproduces analytical benchmarks for the equilibrium age distribution, interior mean/variance of material-conditioned fluxes, and boundary transmittance. Simulations further demonstrate that a Markov (exponential) approximation of non-exponential statistics can introduce large errors in transmittance and interior flux profiles. Lastly, the reintroduction of memory due to scattering is briefly addressed through heuristic considerations.

Fluctuations & noise↗

Hybrid Dynamic Modeling of Smart Inverter

This letter proposes a novel hybrid method for assessing grid-connected three-phase converter interfaced resources (CIR) dynamics with the IEEE standard 1547-2018 grid support functions (GSFs), which blends physics and data-driven techniques. First, the letter derives an analytical model of a CIR to represent the internal physics and data-driven model (DDM) using a system identification algorithm to represent the rest of the dynamics, including the GSF. The derived hybrid model combines the analytical model of CIR and DDM, which balances accuracy and flexibility and is compared with the detailed switched model. Furthermore, the efficacy of the proposed approach to represent the advanced CIR dynamics is substantiated by power hardware-in-the-loop experiment data where real measurements from a commercial CIR are used to cross-validate the proposed approach. Furthermore, the results indicate that despite simple, the hybrid model accurately reproduces the dynamics of the detailed CIR model with an acceptable accuracy.

Data-driven model↗

PYSEQM

PYSEQM is a package for performing semi-empirical quantum mechanical (SEQM) simulations on molecular systems utilizing PyTorch. SEQM simulations determine molecular properties (energy, electron density, dipole moment, ect.) by solving an approximate Schrödinger equation for the motions of electrons in a molecule. The use of PyTorch provides three specific advantages. First, it allows the calculations to be offloaded to GPU accelerators, giving an order of magnitude increase in speed. Second, back propagation is used to get atomic forces (derivative of the total energy with respect to atomic position) at the same computational cost as the energy calculation itself. Finally, the use of PyTorch makes for a natural interface to modern machine learning methods, which can be used to adjust the semi-empirical parameters build into SEQM methods. Additionally, PYSEQM implements various other optimizations for performing quantum mechanics based molecular dynamics, including SP2 for rapid GPU based solution of the self-consistent field algorithm, and the extended Lagrangian method for rapid QM-MD.

Nebgen, Benjamin↗

Flexible machine-learning interatomic potential for simulating structural disordering behavior of Li 7 La 3 Zr 2 O 12 solid electrolytes

Batteries based on solid-state electrolytes, including Li 7 La 3 Zr 2 O 12 (LLZO), promise improved safety and increased energy density; however, atomic disorder at grain boundaries and phase boundaries can severely deteriorate their performance. Machine-learning (ML) interatomic potentials offer a uniquely compelling solution for simulating chemical processes, rare events, and phase transitions associated with these complex interfaces by mixing high scalability with quantum-level accuracy, provided that they can be trained to properly address atomic disorder. To this end, we report the construction and validation of an ML potential that is specifically designed to simulate crystalline, disordered, and amorphous LLZO systems across a wide range of conditions. The ML model is based on a neural network algorithm and is trained using ab initio data. Performance tests prove that the developed ML potential can predict accurate structural and vibrational characteristics, elastic properties, and Li diffusivity of LLZO comparable to ab initio simulations. As a demonstration of its applicability to larger systems, we show that the potential can correctly capture grain boundary effects on diffusivity, as well as the thermal transition behavior of LLZO. Here these examples show that the ML potential enables simulations of transitions between well-defined and disordered structures with quantum-level accuracy at speeds thousands of times faster than ab initio methods.

25 ENERGY STORAGE↗

Building an Integrated Ecosystem of Computational and Observational Facilities to Accelerate Scientific Discovery

Future scientific discoveries will rely on flexible ecosystems that incorporate modern scientific instruments, high performance computing resources, parallel distributed data storage, and performant networks across multiple, independent facilities. In addition to connecting physical resources, such an ecosystem presents many challenges in logistics and accessibility, especially in orchestrating computations and experiments that span across leadership computing systems and experimental instruments. Past efforts have typically been application-specific or limited to interfaces for computing resources. This paper proposes a general framework for integrating computation resources and instrument operations, addressing challenges in code development/execution, data staging and collection, software stack, control mechanisms, resource authorization and governance, and hardware integration. We also describe a demonstration use case wherein a Bayesian optimization algorithm running on an edge computing resource guides a scanning probe microscope to autonomously and intelligently characterize a material sample. This science edge ecosystem framework will provide a blueprint for federating multi-institutional, disparate resources and orchestrating scientific workflows across them to enable next-generation discoveries.

Somnath, Suhas↗

A Framework for the Analysis of Compiler Optimizations

Compilers transform program source code to machine executable code. During this transformation, they perform a number of compiler optimizations to improve the performance of the generated executable code. Importantly, applying those optimizations depends on the source code structure, such as the parallel programming model used to parallelize an algorithm. Often, implementations of the same algorithm with different programming models have vastly different performance because the compiler optimized them differently. We create FAROS, a framework to structure and automate the analysis of compiler optimizations on programs. FAROS automates the building process, execution profiling, and analysis of compiler optimization of programs, through a configuration interface. It outputs compiler optimization reports to show which optimizations applied to which line of source code, leveraging compilation remarks output by the compiler. Also, FAROS supports benchmarking performance of different program versions by collecting execution time results. In this first release of FAROS, we provide a configuration file to analyze compiler optimization differences for sequential vs OpenMP compilation, including 38 programs consisting of HPC proxy/mini/large applications, and NAS and Rodina kernels for analysis.

Georgakoudis, Giorgis↗

The Viskores User's Guide (V.1.0)

High-performance computing relies on ever finer threading. Advances in processor technology include ever greater numbers of cores, hyperthreading, accelerators with integrated blocks of cores, and special vectorized instructions, all of which require more software parallelism to achieve peak performance. Traditional visualization solutions cannot support this extreme level of concurrency. Extreme scale systems require a new programming model and a fundamental change in how we design algorithms. To address these issues we created Viskores: the visualization toolkit for multi-/many-core architectures. Viskores supports a number of algorithms and the ability to design further algorithms through a top-down design with an emphasis on extreme parallelism. Viskores also provides support for finding and building links across topologies, making it possible to perform operations that determine manifold surfaces, interpolate generated values, and find adjacencies. Although Viskores provides a simplified high-level interface for programming, its template-based code removes the overhead of abstraction.

97 MATHEMATICS AND COMPUTING↗

The Viskores User's Guide, Release 1.1

High-performance computing relies on ever finer threading. Advances in processor technology include ever greater numbers of cores, hyperthreading, accelerators with integrated blocks of cores, and special vectorized instructions, all of which require more software parallelism to achieve peak performance. Traditional visualization solutions cannot support this extreme level of concurrency. Extreme scale systems require a new programming model and a fundamental change in how we design algorithms. To address these issues we created Viskores: the visualization toolkit for multi/many-core architectures. Viskores supports a number of algorithms and the ability to design further algorithms through a top-down design with an emphasis on extreme parallelism. Viskores also provides support for finding and building links across topologies, making it possible to perform operations that determine manifold surfaces, interpolate generated values, and find adjacencies. Although Viskores provides a simplified high-level interface for programming, its template-based code removes the overhead of abstraction.

97 MATHEMATICS AND COMPUTING↗

THREAD: A programming environment for interactive planning-level robotics applications

THREAD programming language, which was developed to meet the needs of researchers in developing robotics applications that perform such tasks as grasp, trajectory design, sensor data analysis, and interfacing with external subsystems in order to perform servo-level control of manipulators and real time sensing is discussed. The philosophy behind THREAD, the issues which entered into its design, and the features of the language are discussed from the viewpoint of researchers who want to develop algorithms in a simulation environment, and from those who want to implement physical robotics systems. The detailed functions of the many complex robotics algorithms and tools which are part of the language are not explained, but an overall impression of their capability is given.

Beahan, John J., Jr.↗

Applications of artificial intelligence to mission planning

The scheduling problem facing NASA-Marshall mission planning is extremely difficult for several reasons. The most critical factor is the computational complexity involved in developing a schedule. The size of the search space is large along some dimensions and infinite along others. It is because of this and other difficulties that many of the conventional operation research techniques are not feasible or inadequate to solve the problems by themselves. Therefore, the purpose is to examine various artificial intelligence (AI) techniques to assist conventional techniques or to replace them. The specific tasks performed were as follows: (1) to identify mission planning applications for object oriented and rule based programming; (2) to investigate interfacing AI dedicated hardware (Lisp machines) to VAX hardware; (3) to demonstrate how Lisp may be called from within FORTRAN programs; (4) to investigate and report on programming techniques used in some commercial AI shells, such as Knowledge Engineering Environment (KEE); and (5) to study and report on algorithmic methods to reduce complexity as related to AI techniques.

Ford, Donnie R.↗

TransFit: Finite element analysis data fitting software

The Advanced X-Ray Astrophysics Facility (AXAF) mission support team has made extensive use of geometric ray tracing to analyze the performance of AXAF developmental and flight optics. One important aspect of this performance modeling is the incorporation of finite element analysis (FEA) data into the surface deformations of the optical elements. TransFit is software designed for the fitting of FEA data of Wolter I optical surface distortions with a continuous surface description which can then be used by SAO's analytic ray tracing software, currently OSAC (Optical Surface Analysis Code). The improved capabilities of Transfit over previous methods include bicubic spline fitting of FEA data to accommodate higher spatial frequency distortions, fitted data visualization for assessing the quality of fit, the ability to accommodate input data from three FEA codes plus other standard formats, and options for alignment of the model coordinate system with the ray trace coordinate system. TransFit uses the AnswerGarden graphical user interface (GUI) to edit input parameters and then access routines written in PV-WAVE, C, and FORTRAN to allow the user to interactively create, evaluate, and modify the fit. The topics covered include an introduction to TransFit: requirements, designs philosophy, and implementation; design specifics: modules, parameters, fitting algorithms, and data displays; a procedural example; verification of performance; future work; and appendices on online help and ray trace results of the verification section.

Freeman, Mark↗

Dataflow Design Tool: User's Manual

The Dataflow Design Tool is a software tool for selecting a multiprocessor scheduling solution for a class of computational problems. The problems of interest are those that can be described with a dataflow graph and are intended to be executed repetitively on a set of identical processors. Typical applications include signal processing and control law problems. The software tool implements graph-search algorithms and analysis techniques based on the dataflow paradigm. Dataflow analyses provided by the software are introduced and shown to effectively determine performance bounds, scheduling constraints, and resource requirements. The software tool provides performance optimization through the inclusion of artificial precedence constraints among the schedulable tasks. The user interface and tool capabilities are described. Examples are provided to demonstrate the analysis, scheduling, and optimization functions facilitated by the tool.

Jones, Robert L., III↗

Systems Modeling to Implement Integrated System Health Management Capability

ISHM capability includes: detection of anomalies, diagnosis of causes of anomalies, prediction of future anomalies, and user interfaces that enable integrated awareness (past, present, and future) by users. This is achieved by focused management of data, information and knowledge (DIaK) that will likely be distributed across networks. Management of DIaK implies storage, sharing (timely availability), maintaining, evolving, and processing. Processing of DIaK encapsulates strategies, methodologies, algorithms, etc. focused on achieving high ISHM Functional Capability Level (FCL). High FCL means a high degree of success in detecting anomalies, diagnosing causes, predicting future anomalies, and enabling health integrated awareness by the user. A model that enables ISHM capability, and hence, DIaK management, is denominated the ISHM Model of the System (IMS). We describe aspects of the IMS that focus on processing of DIaK. Strategies, methodologies, and algorithms require proper context. We describe an approach to define and use contexts, implementation in an object-oriented software environment (G2), and validation using actual test data from a methane thruster test program at NASA SSC. Context is linked to existence of relationships among elements of a system. For example, the context to use a strategy to detect leak is to identify closed subsystems (e.g. bounded by closed valves and by tanks) that include pressure sensors, and check if the pressure is changing. We call these subsystems Pressurizable Subsystems. If pressure changes are detected, then all members of the closed subsystem become suspect of leakage. In this case, the context is defined by identifying a subsystem that is suitable for applying a strategy. Contexts are defined in many ways. Often, a context is defined by relationships of function (e.g. liquid flow, maintaining pressure, etc.), form (e.g. part of the same component, connected to other components, etc.), or space (e.g. physically close, touching the same common element, etc.). The context might be defined dynamically (if conditions for the context appear and disappear dynamically) or statically. Although this approach is akin to case-based reasoning, we are implementing it using a software environment that embodies tools to define and manage relationships (of any nature) among objects in a very intuitive manner. Context for higher level inferences (that use detected anomalies or events), primarily for diagnosis and prognosis, are related to causal relationships. This is useful to develop root-cause analysis trees showing an event linked to its possible causes and effects. The innovation pertaining to RCA trees encompasses use of previously defined subsystems as well as individual elements in the tree. This approach allows more powerful implementations of RCA capability in object-oriented environments. For example, if a pressurizable subsystem is leaking, its root-cause representation within an RCA tree will show that the cause is that all elements of that subsystem are suspect of leak. Such a tree would apply to all instances of leak-events detected and all elements in all pressurizable subsystems in the system. Example subsystems in our environment to build IMS include: Pressurizable Subsystem, Fluid-Fill Subsystem, Flow-Thru-Valve Subsystem, and Fluid Supply Subsystem. The software environment for IMS is designed to potentially allow definition of any relationship suitable to create a context to achieve ISHM capability.

Figueroa, Jorge F.↗