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NASA NTRS2016

Improving and Expanding NASA Software Cost Estimation Methods

Estimators and analysts are increasingly being tasked to develop better models and reliable cost estimates in support of program planning and execution. While there has been extensive work on improving parametric methods for cost estimation, there is very little focus on the use of cost models based on analogy and clustering algorithms. In this paper we summarize the results of our research in developing an analogy method for estimating NASA spacecraft flight software using spectral clustering on system characteristics (symbolic nonnumerical data) and evaluate its performance by comparing it to a number of the most commonly used estimation methods. The strengths and weaknesses of each method based on their performance are also discussed. The paper concludes with an overview of the analogy estimation tool (ASCoT) developed for use within NASA that implements the recommended analogy algorithm.

Hihn, Jairus↗

DOE OSTI2025

A Performance Model of In-Situ Techniques

The computational capacity of High-Performance Computing (HPC) systems increases continuously with the rapid development of central processing units (CPUs) and graphic processing units (GPUs), while the in-/output (IO) subsystem develops relatively slowly and storage capacity is also limited. Data-intensive applications, which are designed to leverage the high computational capacity of HPC resources, typically generate a considerable amount of data for post-processing visualizations and data analytics. The limited IO speed and storage space could lead to constraints in the actual performance of these applications and, therefore, scientific discovery. In-situ techniques, where data is visualized/analysed while still in memory rather than through disk, can contribute to alleviating these problems as they can reduce or even fully avoid data writing/reading through the IO subsystem to/from storage. However, the overall efficiency of insitu techniques crucially depends on the characteristics of both the in-situ tasks and the applications, and the resource distribution among them. Therefore, choosing the right in-situ approach (synchronous, asynchronous, or hybrid) and resource allocation is essential to minimize overhead and maximize the benefits of concurrent execution. In this paper, we present a performance model of in-situ techniques to find the most beneficial in-situ approach and the preferred resource configuration. We verify the high accuracy of our approach with over 6800 measurements and provide use cases with different applications.

Ju, Yi [Max Planck Computing and Data Facility, Ga↗

DOE OSTI2021

Modeling discontinuous dynamic recrystallization containing second phase particles in magnesium alloys utilizing phase field method

Pre-existing second phase particles can induce particle stimulated nucleation (PSN) and pinning effect on grain boundaries during DRX process of magnesium alloys. The interaction among pinning effect, PSN mechanism and strain-induced grain boundary migration (SIBM) nucleation mechanism imposes challenge in quantitative study of microstructure evolution. A phase field model that describes discontinuous dynamic recrystallization process considering second phase particles (PF-DDRX-SP) which mainly distribute along grain boundaries is developed. The second phase order parameter with diffusion interface is introduced to the free energy function. With considering the pinning effect of second phase particles on grain boundaries, the grain boundary energy couples the interaction between second phase and grains. The effect of second phase on dislocation density evolution is considered in the model, and the PSN and SIBM mechanism are both executed by limiting the nucleation position to the grain boundary and the second phase interface. For the validation, the initial topology consistent with initial microstructure is applied to the simulation of DRX kinetics and flow behavior of AZ80 magnesium alloy, and great reliability and accuracy of developed model is indicated. Furthermore, through the model, the microstructure evolution with different particle size and with different volume fraction of round particle during DRX process were simulated. Finally, the results show that particles with higher dispersion reduce the number of DRX nuclei, which indicate that second phase particles suppress the nucleation at grain boundaries because of the pinning effect. More importantly, the proposed model could also quantitatively predict the relationships between the parameters of second phase particles and DRX behaviors, and enable to optimize the initial second phase structure in a uniform grain structure during thermomechanical process.

36 MATERIALS SCIENCE↗

DOE OSTI2023

An unstructured mesh based neutronics optimization workflow

We have developed a fully automated workflow to optimize the neutronics performance of the Second Target Station (STS) at the Oak Ridge National Laboratory’s Spallation Neutron Source. The optimization workflow starts with the parametrized solid CAD engineering models and converts them into the unstructured mesh (UM) models for the neutronics calculations with MCNP6.2. Calculations are executed and their results are loaded into the Dakota optimization toolkit. Dakota analyzes the results and proposes new geometry parameters for the next design iteration. The cycle repeats until the optimal parameters are found. The automated CAD to MCNP conversion, the use of high-fidelity UM models, and the use of modern optimizer are the key elements that advance the entire optimization workflow in comparison with the original workflow. The original workflow was based on a simplified constructive solid geometry (CSG) modeling with MCNPX, mcnp_pstudy tool, and an in-house optimizer. Herein to demonstrate the new workflow, we present a case of neutronics optimization of the moderator–reflector assembly (MRA). Apart from the MRA, the workflow can optimize other major STS components, such as the spallation target, neutron beamlines, radiation shielding, and various accelerator components. Importantly, the new workflow opens the door to the advanced multi-physics multi-parameter optimization and has the potential for use in other nuclear physics and accelerator applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2015

Multi-scale Material Parameter Identification Using LS-DYNA® and LS-OPT®

Ever-tightening regulations on fuel economy, and the likely future regulation of carbon emissions, demand persistent innovation in vehicle design to reduce vehicle mass. Classical methods for computational mass reduction include sizing, shape and topology optimization. One of the few remaining options for weight reduction can be found in materials engineering and material design optimization. Apart from considering different types of materials, by adding material diversity and composite materials, an appealing option in automotive design is to engineer steel alloys for the purpose of reducing plate thickness while retaining sufficient strength and ductility required for durability and safety. A project to develop computational material models for advanced high strength steel is currently being executed under the auspices of the United States Automotive Materials Partnership (USAMP) funded by the US Department of Energy. Under this program, new Third Generation Advanced High Strength Steel (i.e., 3GAHSS) are being designed, tested and integrated with the remaining design variables of a benchmark vehicle Finite Element model. The objectives of the project are to integrate atomistic, microstructural, forming and performance models to create an integrated computational materials engineering (ICME) toolkit for 3GAHSS. The mechanical properties of Advanced High Strength Steels (AHSS) are controlled by many factors, including phase composition and distribution in the overall microstructure, volume fraction, size and morphology of phase constituents as well as stability of the metastable retained austenite phase. The complex phase transformation and deformation mechanisms in these steels make the well-established traditional techniques obsolete, and a multi-scale microstructure-based modeling approach following the ICME [0]strategy was therefore chosen in this project. Multi-scale modeling as a major area of research and development is an outgrowth of the Comprehensive Test Ban Treaty of 1996 which banned surface testing of nuclear devices [1]. This had the effect that experimental work was reduced from large scale tests to multiscale experiments to provide material models with validation at different length scales. In the subsequent years industry realized that multi-scale modeling and simulation-based design were transferable to the design optimization of any structural system. Horstemeyer [1] lists a number of advantages of the use of multiscale modeling. Among these are: the reduction of product development time by alleviating costly trial-and-error iterations as well as the reduction of product costs through innovations in material, product and process designs. Multi-scale modeling can reduce the number of costly large scale experiments and can increase product quality by providing more accurate predictions. Research tends to be focussed on each particular length scale, which enhances accuracy in the long term. This paper serves as an introduction to the LS-OPT and LS-DYNA methodology for multi-scale modeling. It mainly focuses on an approach to integrate material identification using material models of different length scales. As an example, a multi-scale material identification strategy, consisting of a Crystal Plasticity (CP) material model and a homogenized State Variable (SV) model, is discussed and the parameter identification of the individual material models of different length scales is demonstrated. The paper concludes with thoughts on integrating the multi-scale methodology into the overall vehicle design.

Stander, Nielen↗

DOE OSTI2022

Cabana: A Performance Portable Library for Particle-Based Simulations

Particle-based simulations are ubiquitous throughout many fields of computational science and engineering, spanning the atomistic level with molecular dynamics (MD), to mesoscale particle-in-cell (PIC) simulations for solid mechanics, device-scale modeling with PIC methods for plasma physics, and massive N-body cosmology simulations of galaxy structures, with many other methods in between (Hockney & Eastwood, 1989). While these methods use particles to represent significantly different entities with completely different physical models, many low-level details are shared including performant algorithms for short- and/or long-range particle interactions, multi-node particle communication patterns, and other data management tasks such as particle sorting and neighbor list construction. Cabana is a performance portable library for particle-based simulations, developed as part of the Co-Design Center for Particle Applications (CoPA) within the Exascale Computing Project (ECP) (Alexander et al., 2020). The CoPA project and its full development scope, including ECP partner applications, algorithm development, and similar software libraries for quantum MD, is described in (Mniszewski et al., 2021). Cabana uses the Kokkos library for on-node parallelism (Edwards et al., 2014; Trott et al., 2022), enabling simulation on multi-core CPU and GPU architectures, and MPI for GPU-aware, multi-node communication. Cabana provides particle simulation capabilities on almost all current Kokkos backends, including serial execution, OpenMP (including OpenMP-Target for GPUs), CUDA (NVIDIA GPUs), HIP (AMD GPUs), and SYCL (Intel GPUs), providing a clear path for the coming generation of accelerator-based exascale hardware. Cabana builds on Kokkos by providing new particle data structures and particle algorithms resulting in a similar execution policy-based, node-level programming model that is intended to be used in addition to the core Kokkos library within an application. Cabana is designed as an application and physics agnostic, but particle-specific toolkit which can either be used to generate a new application, or to be used as needed in existing applications at various levels of invasiveness including through interfaces that wrap user memory in existing data structures.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1985

Improving the Effectiveness of Integral Property Calculation in a CSG Solid Modeling System by Exploiting Predictability

Integral property calculation is an important application for solid modeling systems. Algorithms for computing integral properties for various solid representation schemes are fairly well known. It is important to deigners and users of solid modeling systems to understand the behavior of such algorithms. Specifically the trade-off between execution time and accuracy is critical to effective use of integral property calculation. The average behavior of two algorithms for Constructive Solid Geometry (CSG) representations is investigated. Experimental results from the PADL-2 solid modeling system show that coarse decompositions can be used to predict execution time and error estimates for finer decompositions. Exploiting this predictability allow effective use of the algorithms in a solid modeling system.

Clark, A. L.↗

NASA NTRS1993

The Communication Link and Error ANalysis (CLEAN) simulator

During the period July 1, 1993 through December 30, 1993, significant developments to the Communication Link and Error ANalysis (CLEAN) simulator were completed and include: (1) Soft decision Viterbi decoding; (2) node synchronization for the Soft decision Viterbi decoder; (3) insertion/deletion error programs; (4) convolutional encoder; (5) programs to investigate new convolutional codes; (6) pseudo-noise sequence generator; (7) soft decision data generator; (8) RICE compression/decompression (integration of RICE code generated by Pen-Shu Yeh at Goddard Space Flight Center); (9) Markov Chain channel modeling; (10) percent complete indicator when a program is executed; (11) header documentation; and (12) help utility. The CLEAN simulation tool is now capable of simulating a very wide variety of satellite communication links including the TDRSS downlink with RFI. The RICE compression/decompression schemes allow studies to be performed on error effects on RICE decompressed data. The Markov Chain modeling programs allow channels with memory to be simulated. Memory results from filtering, forward error correction encoding/decoding, differential encoding/decoding, channel RFI, nonlinear transponders and from many other satellite system processes. Besides the development of the simulation, a study was performed to determine whether the PCI provides a performance improvement for the TDRSS downlink. There exist RFI with several duty cycles for the TDRSS downlink. We conclude that the PCI does not improve performance for any of these interferers except possibly one which occurs for the TDRS East. Therefore, the usefulness of the PCI is a function of the time spent transmitting data to the WSGT through the TDRS East transponder.

Ebel, William J.↗

NASA NTRS1985

WEST-3 wind turbine simulator development

The software developed for WEST-3, a new, all digital, and fully programmable wind turbine simulator is given. The process of wind turbine simulation on WEST-3 is described in detail. The major steps are, the processing of the mathematical models, the preparation of the constant data, and the use of system software generated executable code for running on WEST-3. The mechanics of reformulation, normalization, and scaling of the mathematical models is discussed in detail, in particulr, the significance of reformulation which leads to accurate simulations. Descriptions for the preprocessor computer programs which are used to prepare the constant data needed in the simulation are given. These programs, in addition to scaling and normalizing all the constants, relieve the user from having to generate a large number of constants used in the simulation. Also given are brief descriptions of the components of the WEST-3 system software: Translator, Assembler, Linker, and Loader. Also included are: details of the aeroelastic rotor analysis, which is the center of a wind turbine simulation model, analysis of the gimbal subsystem; and listings of the variables, constants, and equations used in the simulation.

Hoffman, J. A.↗

DOE OSTI2021

MACCS (MELCOR Accident Consequence Code System) User Guide

The MELCOR Accident Consequence Code System (MACCS) is used by Nuclear Regulatory Commission (NRC) and various national and international organizations for probabilistic consequence analysis of nuclear power accidents. This User Guide is intended to assist analysts in understanding the MACCS/WinMACCS model and to provide information regarding the code. This user guide version describes MACCS Version 3.10.0. Features that have been added to MACCS in subsequent versions are described in separate documentation. This User Guide provides a brief description of the model history, explains how to set up and execute a problem, and informs the user of the definition of various input parameters and any constraints placed on those parameters. This report is part of a series of reports documenting MACCS. Other reports include the MACCS Theory Manual, MACCS Verification Report, Technical Bases for Consequence Analyses Using MACCS, as well as documentation for preprocessor codes including SecPop, MelMACCS, and COMIDA2. PAPERWORK REDUCTION ACT STATEMENT The NUREG does not contain information collection requirements and, therefore, is not subject to the requirements of the Paperwork Reduction Act of 1995 (44 USC 3501, et seq.). PUBLIC PROTECTION NOTIFICATION The NRC may not conduct or sponsor, and a person is not required to respond to, a request for information or an information collection requirement unless the requesting document displays a currently valid OMB control number. ACKNOWLEDGEMENTS Contributions to this User Guide were received from NRC and Sandia National Laboratories (SNL) project managers, technical experts, and code authors dedicated to the production of a valuable resource for the MACCS user community. Instructions and guidance included herein were developed over many years and include advancements in the code that provide users the ability to develop complex consequence modeling scenarios. WinMACCS and many of the early MACCS developments were due to vision of an earlier Project Manager, Jocelyn Mitchell. Jonathan Barr and AJ Nosek also contributed to the development of this report. The current NRC Project Manager, Salman Haq, provided the leadership to ensure this document was completed. Several other NRC and Sandia staff provided insights supporting development of the MACCS code and of this document.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS1989

Control of free-flying space robot manipulator systems

Control techniques for self-contained, autonomous free-flying space robots are being tested and developed. Free-flying space robots are envisioned as a key element of any successful long term presence in space. These robots must be capable of performing the assembly, maintenance, and inspection, and repair tasks that currently require astronaut extra-vehicular activity (EVA). Use of robots will provide economic savings as well as improved astronaut safety by reducing and in many cases, eliminating the need for human EVA. The focus of the work is to develop and carry out a set of research projects using laboratory models of satellite robots. These devices use air-cushion-vehicle (ACV) technology to simulate in two dimensions the drag-free, zero-g conditions of space. Current work is divided into six major projects or research areas. Fixed-base cooperative manipulation work represents our initial entry into multiple arm cooperation and high-level control with a sophisticated user interface. The floating-base cooperative manipulation project strives to transfer some of the technologies developed in the fixed-base work onto a floating base. The global control and navigation experiment seeks to demonstrate simultaneous control of the robot manipulators and the robot base position so that tasks can be accomplished while the base is undergoing a controlled motion. The multiple-vehicle cooperation project's goal is to demonstrate multiple free-floating robots working in teams to carry out tasks too difficult or complex for a single robot to perform. The Location Enhancement Arm Push-off (LEAP) activity's goal is to provide a viable alternative to expendable gas thrusters for vehicle propulsion wherein the robot uses its manipulators to throw itself from place to place. Because the successful execution of the LEAP technique requires an accurate model of the robot and payload mass properties, it was deemed an attractive testbed for adaptive control technology.

Cannon, Robert H., Jr.↗

NASA NTRS1993

The maturing of the quality improvement paradigm in the SEL

The Software Engineering Laboratory uses a paradigm for improving the software process and product, called the quality improvement paradigm. This paradigm has evolved over the past 18 years, along with our software development processes and product. Since 1976, when we first began the SEL, we have learned a great deal about improving the software process and product, making a great many mistakes along the way. Quality improvement paradigm, as it is currently defined, can be broken up into six steps: characterize the current project and its environment with respect to the appropriate models and metrics; set the quantifiable goals for successful project performance and improvement; choose the appropriate process model and supporting methods and tools for this project; execute the processes, construct the products, and collect, validate, and analyze the data to provide real-time feedback for corrective action; analyze the data to evaluate the current practices, determine problems, record findings, and make recommendations for future project improvements; and package the experience gained in the form of updated and refined models and other forms of structured knowledge gained from this and prior projects and save it in an experience base to be reused on future projects.

Basili, Victor R.↗

NASA NTRS1977

Proceedings of the Spacecraft Charging Technology Conference: Executive Summary

Aerospace environments are reviewed in reference to spacecraft charging. Modelling, a theoretical scheme which can be used to describe the structure of the sheath around the spacecraft and to calculate the charging currents within, is discussed. Materials characterization is considered for experimental determination of the behavior of typical spacecraft materials when exposed to simulated geomagnetic substorm conditions. Materials development is also examined for controlling and minimizing spacecraft charging or at least for distributing the charge in an equipotential manner, using electrical conductive surfaces for materials exposed to space environment.

Pike, C. P.↗

NASA NTRS1980

High speed turboprops for executive aircraft, potential and recent test results

Four high speed propeller models were designed and tested in an 8x6 foot wind tunnel in order to evaluate the potential of advanced propeller technology. Results from these tests show that the combination of: increased blade number, aerodynamically integrated propeller/nacelles, reduced blade thickness, spinner area ruling, and blade sweep are important in achieving high propeller efficiency at the high cruise speeds.

Mikkelson, D. C.↗

NASA NTRS1984

Development and evaluation of a fault-tolerant multiprocessor (FTMP) computer. Volume 4: FTMP executive summary

The FTMP architecture is a high reliability computer concept modeled after a homogeneous multiprocessor architecture. Elements of the FTMP are operated in tight synchronism with one another and hardware fault-detection and fault-masking is provided which is transparent to the software. Operating system design and user software design is thus greatly simplified. Performance of the FTMP is also comparable to that of a simplex equivalent due to the efficiency of fault handling hardware. The FTMP project constructed an engineering module of the FTMP, programmed the machine and extensively tested the architecture through fault injection and other stress testing. This testing confirmed the soundness of the FTMP concepts.

Smith, T. B., III↗

DOE OSTI2024

Scaling whole-chip QAOA for higher-order ising spin glass models on heavy-hex graphs

Abstract We show that the quantum approximate optimization algorithm (QAOA) for higher-order, random coefficient, heavy-hex compatible spin glass Ising models has strong parameter concentration across problem sizes from 16 up to 127 qubits for p = 1 up to p = 5, which allows for computationally efficient parameter transfer of QAOA angles. Matrix product state (MPS) simulation is used to compute noise-free QAOA performance. Hardware-compatible short-depth QAOA circuits are executed on ensembles of 100 higher-order Ising models on noisy IBM quantum superconducting processors with 16, 27, and 127 qubits using QAOA angles learned from a single 16-qubit instance using the JuliQAOA tool. We show that the best quantum processors find lower energy solutions up to p = 2 or p = 3, and find mean energies that are about a factor of two off from the noise-free distribution. We show that p = 1 QAOA energy landscapes remain very similar as the problem size increases using NISQ hardware gridsearches with up to a 414 qubit processor.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Program Verification for Extreme-Scale Applications (Final Scientific/Technical Report)

The project seeks to develop tools and techniques to help software developers verify the correctness and accuracy of their code. The target domain is scientific software of the kind widely used and developed in the Department of Energy research community, with a particular focus on "extreme scale" programs - those that are expected to involve possibly millions of parallel threads of execution. The report covers the University of Delaware contribution to the collaborative project. The project had a number of successful outcomes, especially regarding the development and extension of the CIVL software verification framework. CIVL is a verification tool for C or Fortran programs that use MPI, OpenMP, CUDA, and/or Pthreads for parallelization. CIVL went through vast improvements and extensions, and was successfully applied to a number of challenging codes. It found a subtle bug in the Devito PDE framework. It was able to verify the functional correctness of a conjugate gradient solver using a novel probabilistic technique with vanishingly small chance of error. CIVL was used very successfully in verification competitions, and the CIVL solutions to the competition challenges were presented and published. CIVL was also used successfully by other researchers on a computational chemistry kernel.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Parameter extraction approaches for compact modeling of thermoelectric modules

Thermoelectric (TE) cooling has experienced rapid advancements with the foundational understanding of TE materials. TE modules, compact and lightweight devices, have become the prevalent approach for implementing TE technologies. Accurately quantifying TE physical parameters (Seebeck coefficient α, thermal conductivity κ, and thermal resistance ρ) is challenging due to the dynamic temperature changes in operation. Furthermore, extracting lumped property parameters is crucial for designing energy systems using TE modules. Existing research has several limitations, such as lack of comparative analysis between prevalent formulae, reliance on potentially inaccurate vendor-supplied data, disregard for fundamental assumptions, and absence of empirical measurements. Further, this study addresses these gaps by conducting TE material characterization, comparing three existing formulae using vendor datasheets, designing a laboratory test facility for model validation and refinement, and outlining a structured data extraction procedure. The study's novelty lies in multiple key contributions: (1) a detailed comparative analysis of existing formulae for extracting TE property parameter; (2) executing experimental work in a laboratory setting to validate the model and elucidate its limitations; (3) highlighting potential risks; (4) clarifying possible assumptions from both material and engineering perspectives; and (5) considering temperature differential impacts. This comprehensive approach addresses the current research gaps and provides valuable insights into the design and application of TE modules in various energy systems.

36 MATERIALS SCIENCE↗