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At least 829 records · Page 46

Multibody for Everybody (M4E): A Symbolic Dynamics Modeling Tool with Applications in Simulation, Control, and Optimization

Developing the analytical model of a multibody system is often the initial step in control and optimization. The analytical model (equations of motion) describes a system’s time evolution under specified forcing conditions. Although developing these equations is easy for simple systems, this process becomes more complex for systems composed of multiple bodies. Deriving equations of motion for complex multibody systems requires specialized expertise in multibody dynamics, is time-consuming, and is susceptible to error. To address this issue, this paper presents an open-source, easy-to-use, systematic framework to derive symbolic equations of motion in both Python and MATLAB using the joint coordinate formulation. This formulation results in a set of ordinary differential equations that use the minimum set of coordinates needed to model a system. The symbolic representation provides better insight into the influence of design parameters on system performance, facilitates sensitivity analysis and parameter studies, and supports direct implementation of control and optimization routines. The tool enables numerical simulation for specified parameter sets, is modular for straightforward integration with other tools and libraries, and allows incorporation of hydrodynamics, mooring, and other external forces. The result is a reproducible, extensible pipeline for modeling, simulation, and design of complex multibody systems. The proposed tool is versatile and can be applied to domains such as robotics, control, and design. In addition, we integrated external libraries that provide capabilities for modeling offshore systems such as underwater robots and marine energy converters.

16 TIDAL AND WAVE POWER↗

Spacecraft reorientation via slewing about nonorthogonal axes

A mathematical procedure was developed which determines the exact slews relative to any known axes. The axes may be completely arbitrary; their coordinates merely reside on a data base which can be changed at any time without affecting the software. Given the desired reorientation, the procedure then determines all of the two-legged or three-legged slews which will accomplish the reorientation. For example, there are 12 possible permutations of three axes, and if they are orthogonal each always has two solutions. The nonorthogonal case, on the other hand, gives some surprising results, including the nonexistence of a solution: Consider a large reorientation where the three axes are nearly collinear. In this connection, it can be shown that every three-axis reorientation can be accomplished by three successive slews, if and only if the middle axis is perpendicular to the other two.

Davenport, P. B.↗

Applications of different design methodologies in navigation systems and development at JPL

The NASA/JPL deep space navigation system consists of a complex array of measurement systems, data processing systems, and support facilities, with components located both on the ground and on-board interplanetary spacecraft. From its beginings nearly 30 years ago, this system has steadily evolved and grown to meet the demands for ever-increasing navigation accuracy placed on it by a succession of unmanned planetary missions. Principal characteristics of this system are its capabilities and great complexity. Three examples in the design and development of interplanetary space navigation systems are examined in order to make a brief assessment of the usefulness of three basic design theories, known as normative, rational, and heuristic. Evaluation of the examples indicates that a heuristic approach, coupled with rational-based mathematical and computational analysis methods, is used most often in problems such as orbit determination strategy development and mission navigation system design, while normative methods have seen only limited use is such applications as the development of large software systems and in the design of certain operational navigation subsystems.

Thurman, S. W.↗

Software-Defined Network for End-to-end Networked Science at the Exascale

Domain science applications and workflow processes are currently forced to view the network as an opaque infrastructure into which they inject data and hope that it emerges at the destination with an acceptable Quality of Experience. There is little ability for applications to interact with the network to exchange information, negotiate performance parameters, discover expected performance metrics, or receive status/troubleshooting information in real time. The work we presen here is motivated by a vision for a new smart network and smart application ecosystem that will provide a more deterministic and interactive environment for domain science workflows. The Software-Defined Network for End-to-end Networked Science at Exascale (SENSE) system includes a model-based architecture, implementation, and deployment which enables automated end-to-end network service instantiation across administrative domains. An intent based interface allows applications to express their high-level service requirements, an intelligent orchestrator and resource control systems allow for custom tailoring of scalability and real-time responsiveness based on individual application and infrastructure operator requirements. This allows the science applications to manage the network as a first-class schedulable resource as is the current practice for instruments, compute, and storage systems. Deployment and experiments on production networks and testbeds have validated SENSE functions and performance. Emulation based testing verified the scalability needed to support research and education infrastructures. Key contributions of this work include an architecture definition, reference implementation, and deployment. This provides the basis for further innovation of smart network services to accelerate scientific discovery in the era of big data, cloud computing, machine learning and artificial intelligence.

97 MATHEMATICS AND COMPUTING↗

Software-defined network for end-to-end networked science at the exascale

Domain science applications and workflow processes are currently forced to view the network as an opaque infrastructure into which they inject data and hope that it emerges at the destination with an acceptable Quality of Experience. There is little ability for applications to interact with the network to exchange information, negotiate performance parameters, discover expected performance metrics, or receive status/troubleshooting information in real time. The work presented here is motivated by a vision for a new smart network and smart application ecosystem that will provide a more deterministic and interactive environment for domain science workflows. The Software-Defined Network for End-to-end Networked Science at Exascale (SENSE) system includes a model-based architecture, implementation, and deployment which enables automated end- to-end network service instantiation across administrative domains. An intent based interface allows applications to express their high-level service requirements, an intelligent orchestrator and resource control systems allow for custom tailoring of scalability and real-time responsiveness based on individual application and infrastructure operator requirements. This allows the science applications to manage the network as a first-class schedulable resource as is the current practice for instruments, compute, and storage systems. Deployment and experiments on production networks and testbeds have validated SENSE functions and performance. Emulation based testing verified the scalability needed to support research and education infrastructures. Key contributions of this work include an architecture definition, reference implementation, and deployment. This provides the basis for further innovation of smart network services to accelerate scientific discovery in the era of big data, cloud computing, machine learning and artificial intelligence.

47 OTHER INSTRUMENTATION↗

A parallel hub-and-spoke system for large-scale scenario-based optimization under uncertainty

Practical solution of stochastic programming problems generally requires the use of parallel computing resources. Here, we describe the open source package mpi-sppy, in which efficient and scalable parallelization is a central feature. We report computational experiments that demonstrate the ability to solve very large stochastic programming problems - including mixed-integer variants - in minutes of wall clock time, efficiently leveraging significant parallel computing resources. We report results for the largest publicly available instances of stochastic mixed-integer unit commitment problems, solving to provably tight optimality gaps. In addition, we introduce a novel software architecture that facilitates combinations of methods for accelerating convergence that can be combined in plug-and-play manner. Finally, the mpi-sppy package is written in Python, leverages the widely used Pyomo (http://www.pyomo.org) library for modeling mathematical programs, builds on existing MPI implementations to ensure efficiency and scalability, and is available via http://github.com/Pyomo/mpi-sppy.

97 MATHEMATICS AND COMPUTING↗

An ontology-based fault generation and fault propagation analysis approach for safety-critical computer systems at the design stage

Abstract Fault propagation analysis is a process used to determine the consequences of faults residing in a computer system. A typical computer system consists of diverse components (e.g., electronic and software components), thus, the faults contained in these components tend to possess diverse characteristics. How to describe and model such diverse faults, and further determine fault propagation through different components are challenging problems to be addressed in the fault propagation analysis. This paper proposes an ontology-based approach, which is an integrated method allowing for the generation, injection, and propagation through inference of diverse faults at an early stage of the design of a computer system. The results generated by the proposed framework can verify system robustness and identify safety and reliability risks with limited design level information. In this paper, we propose an ontological framework and its application to analyze an example safety-critical computer system. The analysis result shows that the proposed framework is capable of inferring fault propagation paths through software and hardware components and is effective in predicting the impact of faults.

97 MATHEMATICS AND COMPUTING↗

Understanding Lustre Internals. Second Edition

The Lustre file system has become a preferred storage resource for systems on the Top500 list, and it is often the file system of choice for small- to medium-sized HPC systems that require parallel shared access to data. Several resources exist to help users deploy and configure Lustre, but the same cannot be said for resources that explain the inner workings of the Lustre source code. A previous ORNL technical report entitled "Understanding Lustre Filesystem Internals" (ORNL/TM-2009/117) provided an excellent summary of Lustre subsystem operations. However, that report is over a decade old and is based on Lustre version 1.6. Since that report was published, Lustre has evolved significantly. Several subsystems underwent significant code changes and many new features have been added to the file system, bringing the current Lustre version up to 2.15.This report aims to document and explain the internal workings of the latest version of the Lustre file system. It will provide more complete and up-to-date information than the previous technical report and should serve as a foundational document for anyone interested in Lustre software development. Key data structures will be described along with the APIs used for interaction among the various Lustre subsystems. Although the Lustre software is constantly being developed, the details in this document should remain relevant for the forseeable future.

97 MATHEMATICS AND COMPUTING↗

Grizzly Development for Light Water Reactor and Advanced Reactor Applications in Fiscal Year 2021

This report summarizes work performed during Fiscal Year (FY) 2021 at Idaho National Laboratory (INL) for the U.S. Department of Energy’s Nuclear Engineering Advanced Modeling and Simulation (NEAMS) program for the Structural Materials and Chemistry Technical Area in the work package entitled “MS-21IN050106 - Structural Materials - INL.” This effort mainly focused on development and application of capabilities for engineering-scale analysis of nuclear reactor structural components in the Grizzly and BlackBear codes. These efforts include performance improvements and application of models for high-temperature component response, cluster dynamics modeling of precipitation in light water reactor pressure vessel steel, engineering-scale capability development in the areas of concrete simulation and reactor pressure vessel analysis, and preparation for and conducting an independent assessment of the adherence of these codes to software quality standards.

36 MATERIALS SCIENCE↗

Surveying the LLNL WSC/CP DevOps Landscape - FY23 DevOps L2: Advanced Simulation and Computing (ASC) L2 Milestone 8542, "Spack Utilization in IC Code Projects”

This L2 milestone is a multifaceted review of DevOps practices across Weapon Simulation and Computing/Computational Physics (WSC/CP) Program, which includes Weapons, ICF, and Engineering simulation codes and supporting libraries. It complements the FY22 Spack/MARBL L2: Advanced Simulation and Computing (ASC) L2 Milestone 7904, “Workflow Portability Across Cloud Services”. The overall goal is to develop a path forward for improving DevOps practices in WSC/CP which will increase developer productivity, improve software quality, and speed up our ability to deliver capabilities to end users.

97 MATHEMATICS AND COMPUTING↗

Computing the Instantaneous Collision Probability between Satellites using Characteristic Function Inversion

The probability that two satellites overlap in space at a specified instant of time is called their instantaneous collision probability. Assuming Gaussian uncertainties and spherical satellites, this probability is the integral of a Gaussian distribution over a sphere. This paper shows how to compute the probability using an established numerical procedure called characteristic function inversion. The collision probability in the short-term encounter scenario is also evaluated with this approach, where the instant at which the probability is computed is the time of closest approach between the objects. Python and R code is provided to evaluate the probability in practice. Overall, the approach has been established for over fifty years, is implemented in existing software, does not rely on analytical approximations, and can be used to evaluate two and three dimensional collision probabilities.

79 ASTRONOMY AND ASTROPHYSICS↗

Determination of the implementation of the 3-axis attitude motion simulator digital position controller

The digital position controller implemented in the control computer of the 3-axis attitude motion simulator is mathematically reconstructed and documented, since the information supplied with the executable code of this controller was insufficient to make substantial modifications to it. Also developed were methodologies to introduce changes in the controller which do not require rewriting the software. Finally, recommendations are made on possible improvement to the control system performance.

Magana, Mario E.↗

Cumulative reports and publications through December 31, 1991

A reports and publications list is given from the Institute for Computer Applications in Science and Engineering (ICASE) through December 31, 1991. The major categories of the current ICASE research program are; numerical methods, control and parameter identification problems, computational problems in engineering and the physical sciences, and computer systems and software. Since ICASE reports are intended to be preprints of articles that will appear in journals or conference proceedings, the published reference is included when available.

Mathematics↗

Implementation of Charged Particle Behavior in Discrete Element Method (DEM) Simulations

Lunar landers will agitate the surface of the Moon with an exhaust plume during descent which will, due to the particulate nature of the lunar regolith, loosen and eject grains from the surface. This ejection is not only coupled with the charged plume gas, but also results in significant particle-particle interactions. Settling of these grains after plume effects have subsided takes much longer than expected in a ballistic trajectory. The prevailing hypothesis attributes this behavior to the accumulated charge on the particles. We are thus developing a discrete element method (DEM) approach to explore these charged particle interactions on the lunar surface. The Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) Improved for General Granular and Granular Heat Transfer Simulations (LIGGGHTS) software package provides a DEM modeling framework for granular interactions. It includes many complexities such as non-spherical particle shapes, cohesion and frictional forces, and heat transfer, but has no provision for inter-particle electrostatic forces and charge transfer that are important to examine in the lunar environment. In this work, a standard Coulomb potential and a Yukawa potential are integrated into the LIGGGHTS framework to provide a basis for particle-particle electrostatic interactions, as well as a gravitational potential to enable inter-grain gravitational interactions. A preliminary approach to charge transfer between grains incorporating properties such as work function and electrical conductivity to the library of available material characteristics will be presented. Several scenarios have been simulated that include charged particle interactions within a diffuse granular gas, settling of charged grains into a regolith bed, sliding of granular material along an incline, and vibration of settled grains to produce a behavior similar to fluidization. There are numerous challenges to incorporate realistic interactions between complex lunar particles. Currently, grains are modeled to behave as if the entirety of the charge acts at the center of mass, such as conductors with spherical symmetry and insulators with homogeneously distributed charge. We are developing improvements that will include the use of non-spherical particle geometries, as well as reasonable approximations of insulating/dielectric materials that have non-uniform charge distributions. The cases simulated thus far will be examined in a relevant environment within a vacuum chamber to validate the simulations. These simulations will be bounded by experiments utilizing high-speed camera observations of the motion for validation. The grains in the experiment will exchange charge during their motion and this can be quantified by collection within a charge measurement device such as a Faraday cup. Such a device may be modeled within the software by defining an integration region and computing the contained charge as a function of simulation time, allowing for side-by-side comparison of simulated and measured bulk charging results. Any differences will be reconciled by updating the mathematical mechanisms described within the simulation suite. Successfully combining results from experiments within a relevant environment into the LIGGGHTS framework will improve modeling of the charged grain dynamics experienced on the Moon to provide insights into dust behavior for future lunar exploration missions.

Electrostatics↗

Open Source Modeling for Power Systems Dynamics

Time-domain simulations for power systems (both phasor and electromagnetic transients) are mostly dominated by commercial tools, such as PSS/E or PSCAD. However, with the increasing penetration of inverter-based resources and changes in model paradigm, new open-source tools are looking into become a possible alternative for a range of stakeholders. In this presentation we will focus on how to improve communication with industry and other stakeholders to properly showcase the value of open source simulators. Participants will identify current barriers facing the adoption of open-source time-domain tools, and will discuss how to improve the bench-marking processes across different tools, while maintaining software modularity to include new features and models as new challenges continue to happen in energy systems.

ENERGY PLANNING, POLICY, AND ECONOMY,MATHEMATICS A↗

Systems, methods and apparatus for modeling, specifying and deploying policies in autonomous and autonomic systems using agent-oriented software engineering

Systems, methods and apparatus are provided through which in some embodiments, an agent-oriented specification modeled with MaCMAS, is analyzed, flaws in the agent-oriented specification modeled with MaCMAS are corrected, and an implementation is derived from the corrected agent-oriented specification. Described herein are systems, method and apparatus that produce fully (mathematically) tractable development of agent-oriented specification(s) modeled with methodology fragment for analyzing complex multiagent systems (MaCMAS) and policies for autonomic systems from requirements through to code generation. The systems, method and apparatus described herein are illustrated through an example showing how user formulated policies can be translated into a formal mode which can then be converted to code. The requirements-based programming systems, method and apparatus described herein may provide faster, higher quality development and maintenance of autonomic systems based on user formulation of policies.

Hinchey, Michael G.↗

CYPminer: an automated cytochrome P450 identification, classification, and data analysis tool for genome data sets across kingdoms

Background: Cytochrome P450 monooxygenases (termed CYPs or P450s) are hemoproteins ubiquitously found across all kingdoms, playing a central role in intracellular metabolism, especially in metabolism of drugs and xenobiotics. The explosive growth of genome sequencing brings a new set of challenges and issues for researchers, such as a systematic investigation of CYPs across all kingdoms in terms of identification, classification, and pan-CYPome analyses. Such investigation requires an automated tool that can handle an enormous amount of sequencing data in a timely manner. Results: CYPminer was developed in the Python language to facilitate rapid, comprehensive analysis of CYPs from genomes of all kingdoms. CYPminer consists of two procedures i) to generate the Genome-CYP Matrix (GCM) that lists all occurrences of CYPs across the genomes, and ii) to perform analyses and visualization of the GCM, including pan-CYPomes (pan- and core-CYPome), CYP co-occurrence networks, CYP clouds, and genome clustering data. The performance of CYPminer was evaluated with three datasets from fungal and bacterial genome sequences. Conclusions: CYPminer completes CYP analyses for large-scale genomes from all kingdoms, which allows systematic genome annotation and comparative insights for CYPs. CYPminer also can be extended and adapted easily for broader usage.

59 BASIC BIOLOGICAL SCIENCES↗

Astrodynamics Convention and Modeling Reference for Lunar, Cislunar, and Libration Point Orbits

The purpose and direction of this document is to provide U.S. government agencies, specifically National Aeronautics and Space Administration (NASA) and Department of Defense (DoD) space related centers, with a foundational summary of astrodynamics concepts for trajectory design, navigation, and operations in the cislunar, lunar, and libration point regions. This document is provided in response to an Interagency Agreement (IAA) between NASA and the National Geospatial-Intelligence Agency (NGA). With applications to these regions of the Earth-Moon system, this document summarizes: the definitions of standard and unique coordinate systems for Positioning, Navigation, Timing and targeting (PNT), transformations between those coordinate frames, definitions of common time systems, a description of numerical integration, description of a widely-used and approximate dynamical model of a three-body system for preliminary analysis and nomenclature definition, description of higher-fidelity models of cislunar space, and the application of these concepts to sample scenarios with a focus on common steps in trajectory and maneuver design for a spacecraft in cislunar space. This information is critical to mission design and navigation far above the geosynchronous orbit region, where lunar perturbations are required to be modeled accurately and consistently but render trajectory design and analysis a complex procedure. Software tools such as the Goddard Space Flight Center (GSFC) open source General Mission Analysis Tool (GMAT) is used as a reference, along with a wide variety of resources constructed by NASA and other government agencies, academia, and industry, for mathematical specifications and practical considerations. This document has been prepared by and under the auspices of NASA. The GSFC Mission Engineering and Systems Analysis (MESA) Division (Code 590) and the Navigation and Mission Design Branch (Code 595) are part of NASA. Their engineers and scientists have expertise in lunar, cislunar, and libration point region trajectory guidance and navigation and timing. NASA GSFC has supported many successful lunar and cislunar missions over the past several decades. These missions include the Lunar Reconnaissance Orbiter (LRO), the two Acceleration, Reconnection, Turbulence and Electrodynamics of the Moon’s Interaction with the Sun (ARTEMIS) spacecraft, Transiting Exoplanet Survey Satellite (TESS), Lunar Prospector, Lunar Crater Observation and Sensing Satellite (LCROSS), Clementine, and several Sun-Earth libration point missions such as WIND and Deep Space Climate Observatory (DSCOVR), dating back four decades. NASA GSFC also supports the upcoming Gateway lunar mission, the Artemis Lunar Program and Human Landing Systems, and leads both the Lunar IceCube low thrust mission and concept design for the Lunar Communication Relay and Navigation System (LCRNS).

Lunar, CisLunar, Libration, trajectory dynamics, p↗