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At least 1,693 records · Page 94

MBX: A many-body energy and force calculator for data-driven many-body simulations

Many-Body eXpansion (MBX) is a C++ library that implements many-body potential energy functions (PEFs) within the “many-body energy” (MB-nrg) formalism. MB-nrg PEFs integrate an underlying polarizable model with explicit machine-learned representations of many-body interactions to achieve chemical accuracy from the gas to the condensed phases. MBX can be employed either as a stand-alone package or as an energy/force engine that can be integrated with generic software for molecular dynamics and Monte Carlo simulations. MBX is parallelized internally using Open Multi-Processing and can utilize Message Passing Interface when available in interfaced molecular simulation software. In this study, MBX enables classical and quantum molecular simulations with MB-nrg PEFs, as well as hybrid simulations that combine conventional force fields and MB-nrg PEFs, for diverse systems ranging from small gas-phase clusters to aqueous solutions and molecular fluids to biomolecular systems and metal-organic frameworks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Impacts of Modern IT on LCLS-II Experiment Control Systems

Modern information technology (IT) is a broad term with vague and somewhat arbitrary boundaries which can depend on any given novice or subject matter expert’s notional understanding. For the purposes of this article, IT can be understood as standards in communication, computational power, and storage. Additionally, impacts of modern IT extend beyond its products of hardware and software to include associated work practices and engineering processes.

97 MATHEMATICS AND COMPUTING↗

AIRES-NODE

This software package performs time series forecasting for engineering systems using neural controlled differential equations. Neural controlled differential equations are continuous time analogues to recurrent neural networks. AIRES-NODE is particularly well suited for dynamic systems which are subject to external forcing terms and time-dependent boundary conditions. AIRES-NODE provides an encoder-decoder architecture which allows for variable-length forecasts to be made and is not limited to a fixed time step size when forecasting. Additionally, by utilizing a novel combination of a variational autoencoder and neural controlled differential equations, the AIRES-NODE package is capable of producing probabilistic future forecasts.

Gurecky, William [Oak Ridge National Laboratory (O↗

Uniform Field Electrode Generator

SAND2025-03788O Uniform Field Electrode Generator is a user-friendly tool designed to create uniform electric field electrodes, essential for high voltage applications. By generating electrodes with precise dimensions, it ensures a consistent electric field across their surfaces. This software is particularly beneficial for researchers and engineers working on projects like closing switches and studying power flow in advanced systems, such as the Z machine. Its unique approach simplifies the design process, making it accessible for users without technical expertise, while enhancing the efficiency and effectiveness of their electrical applications. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Mason, Tyler [Sandia National Lab. (SNL-CA), Liver↗

Integration of Decentralized Graph-Based Multi-Agent Reinforcement Learning with Digital Twin for Traffic Signal Optimization

Machine learning (ML) methods, particularly Reinforcement Learning (RL), have gained widespread attention for optimizing traffic signal control in intelligent transportation systems. However, existing ML approaches often exhibit limitations in scalability and adaptability, particularly within large traffic networks. This paper introduces an innovative solution by integrating decentralized graph-based multi-agent reinforcement learning (DGMARL) with a Digital Twin to enhance traffic signal optimization, targeting the reduction of traffic congestion and network-wide fuel consumption associated with vehicle stops and stop delays. In this approach, DGMARL agents are employed to learn traffic state patterns and make informed decisions regarding traffic signal control. The integration with a Digital Twin module further facilitates this process by simulating and replicating the real-time asymmetric traffic behaviors of a complex traffic network. The evaluation of this proposed methodology utilized PTV-Vissim, a traffic simulation software, which also serves as the simulation engine for the Digital Twin. The study focused on the Martin Luther King (MLK) Smart Corridor in Chattanooga, Tennessee, USA, by considering symmetric and asymmetric road layouts and traffic conditions. Comparative analysis against an actuated signal control baseline approach revealed significant improvements. Experiment results demonstrate a remarkable 55.38% reduction in Eco_PI, a developed performance measure capturing the cumulative impact of stops and penalized stop delays on fuel consumption, over a 24 h scenario. In a PM-peak-hour scenario, the average reduction in Eco_PI reached 38.94%, indicating the substantial improvement achieved in optimizing traffic flow and reducing fuel consumption during high-demand periods. These findings underscore the effectiveness of the integrated DGMARL and Digital Twin approach in optimizing traffic signals, contributing to a more sustainable and efficient traffic management system.

42 ENGINEERING↗

Software and system level tests of a test flight mercury ion thruster subsystem

A U.S. Air Force technology spacecraft flight is scheduled to carry an Ion Auxiliary Propulsion System (IAPS) as part of its experimental payload. This paper presents the results of the successful flight-software qualification and system-level tests which were performed on IAPS. The software tests were performed with an operating engineering model ion thruster and power processing unit, and failure/off-normal recovery modes, operation with and without temperature telemetry from the thruster vaporizers, and with closed-loop control or fixed setpoint operation of the thruster vaporizers. The system-level tests cover a wide range of thermal and operating conditions with the entire system exposed to a simulated space environment.

Robson, R. R.↗

IAC user manual

The User Manual for the Integrated Analysis Capability (IAC) Level 1 system is presented. The IAC system currently supports the thermal, structures, controls and system dynamics technologies, and its development is influenced by the requirements for design/analysis of large space systems. The system has many features which make it applicable to general problems in engineering, and to management of data and software. Information includes basic IAC operation, executive commands, modules, solution paths, data organization and storage, IAC utilities, and module implementation.

Vos, R. G.↗

Definition of ground test for Large Space Structure (LSS) control verification

An overview for the definition of a ground test for the verification of Large Space Structure (LSS) control is given. The definition contains information on the description of the LSS ground verification experiment, the project management scheme, the design, development, fabrication and checkout of the subsystems, the systems engineering and integration, the hardware subsystems, the software, and a summary which includes future LSS ground test plans. Upon completion of these items, NASA/Marshall Space Flight Center will have an LSS ground test facility which will provide sufficient data on dynamics and control verification of LSS so that LSS flight system operations can be reasonably ensured.

Waites, H. B.↗

A data base and analysis program for shuttle main engine dynamic pressure measurements. Appendix F: Data base plots for SSME tests 750-120 through 750-200

A dynamic pressure data base and data base management system developed to characterize the Space Shuttle Main Engine (SSME) dynamic pressure environment is presented. The data base represents dynamic pressure measurements obtained during single engine hot firing tests of the SSME. Software is provided to permit statistical evaluation of selected measurements under specified operating conditions. An interpolation scheme is also included to estimate spectral trends with SSME power level.

Coffin, T.↗

High-Speed Multiprocessing For Engine Simulation

Parallel microprocessors have computational power and speed for realistic simulations. Interactive information bus links front-end processor and computational processors. Real-time information bus links real-time extension processor and pre-processors. Computational processor and preprocessor communicate through shared memory. System used to simulate small turboshaft engine to demonstrate potential of multiprocessing in such applications. Real-time simulations aid development of new digital engine controls enabling testing of hardware and software under realistic conditions.

Milner, Edward J.↗

Requirements for a tool to aid in the development of expert systems for space station applications

The Space Station Program is currently in the early stages of design. The extended life of the program and the wide range of planned capabilities present NASA with a major challenge to make effective use of all available resources. Expert systems may represent one of the most important techniques NASA can use to improve performance and functionality of the Space Station. The recent growth in expert system applications has been spurred by the availability of commercial expert system development tools. These state-of-the-art tools provide multiple representation techniques, sophisticated user interfaces, and powerful development tools; allowing programmers to develop expert systems without requiring years of training in knowledge engineering. The requirements are described for a software tool to aid in the development and delivery of expert systems intended for use in the Space Station Program. The intent is to define a tool that would be useful for a very broad range of expert system applications.

Culbert, Chris↗

The use of COSMIC NASTRAN in an integrated conceptual design environment

Changes in both software and hardware are rapidly bringing conceptual engineering tools like finite element analysis into mainstream mechanical design. Systems that integrate all phases of the manufacturing process provide the most cost benefits. The application of programming concepts like object oriented programming allow for the encapsulation of intelligent data within the design geometry. This combined with declining cost in per seat hardware bring new alternatives to the user.

White, Gil↗

Domain decomposition: A bridge between nature and parallel computers

Domain decomposition is an intuitive organizing principle for a partial differential equation (PDE) computation, both physically and architecturally. However, its significance extends beyond the readily apparent issues of geometry and discretization, on one hand, and of modular software and distributed hardware, on the other. Engineering and computer science aspects are bridged by an old but recently enriched mathematical theory that offers the subject not only unity, but also tools for analysis and generalization. Domain decomposition induces function-space and operator decompositions with valuable properties. Function-space bases and operator splittings that are not derived from domain decompositions generally lack one or more of these properties. The evolution of domain decomposition methods for elliptically dominated problems has linked two major algorithmic developments of the last 15 years: multilevel and Krylov methods. Domain decomposition methods may be considered descendants of both classes with an inheritance from each: they are nearly optimal and at the same time efficiently parallelizable. Many computationally driven application areas are ripe for these developments. A progression is made from a mathematically informal motivation for domain decomposition methods to a specific focus on fluid dynamics applications. To be introductory rather than comprehensive, simple examples are provided while convergence proofs and algorithmic details are left to the original references; however, an attempt is made to convey their most salient features, especially where this leads to algorithmic insight.

Keyes, David E.↗

Teamwork for Oversight of Processes and Systems (TOPS). Implementation guide for TOPS version 2.0, 10 August 1992

As the nation redefines priorities to deal with a rapidly changing world order, both government and industry require new approaches for oversight of management systems, particularly for high technology products. Declining defense budgets will lead to significant reductions in government contract management personnel. Concurrently, defense contractors are reducing administrative and overhead staffing to control costs. These combined pressures require bold approaches for the oversight of management systems. In the Spring of 1991, the DPRO and TRW created a Process Action Team (PAT) to jointly prepare a Performance Based Management (PBM) system titled Teamwork for Oversight of Processes and Systems (TOPS). The primary goal is implementation of a performance based management system based on objective data to review critical TRW processes with an emphasis on continuous improvement. The processes are: Finance and Business Systems, Engineering and Manufacturing Systems, Quality Assurance, and Software Systems. The team established a number of goals: delivery of quality products to contractual terms and conditions; ensure that TRW management systems meet government guidance and good business practices; use of objective data to measure critical processes; elimination of wasteful/duplicative reviews and audits; emphasis on teamwork--all efforts must be perceived to add value by both sides and decisions are made by consensus; and synergy and the creation of a strong working trust between TRW and the DPRO. TOPS permits the adjustment of oversight resources when conditions change or when TRW systems performance indicate either an increase or decrease in surveillance is appropriate. Monthly Contractor Performance Assessments (CPA) are derived from a summary of supporting system level and process-level ratings obtained from objective process-level data. Tiered, objective, data-driven metrics are highly successful in achieving a cooperative and effective method of measuring performance. The teamwork-based culture developed by TOPS proved an unequaled success in removing adversarial relationships and creating an atmosphere of continuous improvement in quality processes at TRW. The new working relationship does not decrease the responsibility or authority of the DPRO to ensure contract compliance and it permits both parties to work more effectively to improve total quality and reduce cost. By emphasizing teamwork in developing a stronger approach to efficient management of the defense industrial base TOPS is a singular success.

Strand, Albert A.↗

Study and Demonstration of Planning and Scheduling Concepts for the Earth Observing System Data and Information System

The University of Colorado's Laboratory for Atmospheric and Space Physics (CU/LASP) along with the Goddard Space Flight Center (GSFC) and the Jet Propulsion Laboratory (JPL) designed, implemented, tested, and demonstrated a prototype of the distributed, hierarchical planning and scheduling system comtemplated for the Earth Observing System (EOS) project. The planning and scheduling prototype made use of existing systems: CU/LASP's Operations and Science Instrument Support Planning and Scheduling (OASIS-PS) software package; GSFC's Request Oriented Scheduling Engine (ROSE); and JPL's Plan Integrated Timeliner 2 (Plan-It-2). Using these tools, four scheduling nodes were implemented and tied together using a new communications protocol for scheduling applications called the Scheduling Applications Interface Language (SAIL). An extensive and realistic scenario of EOS satellite operations was then developed and the prototype scheduling system was tested and demonstrated using the scenario. Two demonstrations of the system were given to NASA personnel and EOS core system (ECS) contractor personnel. A comprehensive volume of lessons learned was generated and a meeting was held with NASA and ECS representatives to review these lessons learned. A paper and presentation on the project's final results was given at the American Institute of Aeronautics and Astronautics Computing in Aerospace 9 conference.

Davis, Randal↗

Automating Mission Scheduling for Space-Based Observatories

In this paper we describe the use of our planning and scheduling framework, HSTS, to reduce the complexity of science mission planning. This work is part of an overall project to enable a small team of scientists to control the operations of a spacecraft. The present process is highly labor intensive. Users (scientists and operators) rely on a non-codified understanding of the different spacecraft subsystems and of their operating constraints. They use a variety of software tools to support their decision making process. This paper considers the types of decision making that need to be supported/automated, the nature of the domain constraints and the capabilities needed to address them successfully, and the nature of external software systems with which the core planning/scheduling engine needs to interact. HSTS has been applied to science scheduling for EUVE and Cassini and is being adapted to support autonomous spacecraft operations in the New Millennium initiative.

Pell, Barney↗

Streamlining Software Aspects of Certification: Report on the SSAC Survey

The aviation system now depends on information technology more than ever before to ensure safety and efficiency. To address concerns about the efficacy of software aspects of the certification process, the Federal Aviation Administration (FAA) began the Streamlining Software Aspects of Certification (SSAC) program. The SSAC technical team was commissioned to gather data, analyze results, and propose recommendations to maximize efficiency and minimize cost and delay, without compromising safety. The technical team conducted two public workshops to identify and prioritize software approval issues, and conducted a survey to validate the most urgent of those issues. The SSAC survey, containing over two hundred questions about the FAA's software approval process, reached over four hundred industry software developers, aircraft manufacturers, and FAA designated engineering representatives. Three hundred people responded. This report presents the SSAC program rationale, survey process, preliminary findings, and recommendations.

Hayhurst, Kelly J.↗

An Inviscid Computational Study of an X-33 Configuration at Hypersonic Speeds

This report documents the results of a study conducted to compute the inviscid longitudinal aerodynamic characteristics of a simplified X-33 configuration. The major components of the X-33 vehicle, namely the body, the canted fin, the vertical fin, and the body-flap, were simulated in the CFD (Computational Fluid Dynamic) model. The rear-ward facing surfaces at the base including the aerospike engine surfaces were not simulated. The FELISA software package consisting of an unstructured surface and volume grid generator and two inviscid flow solvers was used for this study. Computations were made for Mach 4.96, 6.0, and 10.0 with perfect gas air option, and for Mach 10 with equilibrium air option with flow condition of a typical point on the X-33 flight trajectory. Computations were also made with CF4 gas option at Mach 6.0 to simulate the CF4 tunnel flow condition. An angle of attack range of 12 to 48 deg was covered. The CFD results were compared with available wind tunnel data. Comparison was good at low angles of attack; at higher angles of attack (beyond 25 deg) some differences were found in the pitching moment. These differences progressively increased with increase in angle of attack, and are attributed to the viscous effects. However, the computed results showed the trends exhibited by the wind tunnel data.

Prabhu, Ramadas K.↗