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NASA NTRS1982

Combining analysis with optimization at Langley Research Center - An evolutionary process

Analytical and computational advances, at Langely Research Center (La RC), contributing to the evolution of computer programs combining analysis and optimization are presented, namely, strength sizing, concurrent strength and flutter sizing, and general optimization. Current work on a software system which executes the analysis and optimization in a sequential rather than concurrent mode is then described, as a step toward the long-term goal at La RC of developing the methodology for such systems. The software system is designated Enginering Analysis Language (EAL)/Programming Structural Synthesis System (PR)SSS), and work is being done on the incorporation of PROSSS into EAL. EAL language can perform most FORTRAN operations, including testing, branching, and looping, and its data base system can easily be accessed by any processor using FORTRAN callable utility subroutines. Some numerical results showing the accuracy of EAL/PROSSS are given.

Rogers, J. L., Jr.↗

NASA NTRS1990

Compiler-directed cache management in multiprocessors

The necessity of finding alternatives to hardware-based cache coherence strategies for large-scale multiprocessor systems is discussed. Three different software-based strategies sharing the same goals and general approach are presented. They consist of a simple invalidation approach, a fast selective invalidation scheme, and a version control scheme. The strategies are suitable for shared-memory multiprocessor systems with interconnection networks and a large number of processors. Results of trace-driven simulations conducted on numerical benchmark routines to compare the performance of the three schemes are presented.

Cheong, Hoichi↗

NASA NTRS1995

An Open Simulation System Model for Scientific Applications

A model for a generic and open environment for running multi-code or multi-application simulations - called the open Simulation System Model (OSSM) - is proposed and defined. This model attempts to meet the requirements of complex systems like the Numerical Propulsion Simulator System (NPSS). OSSM places no restrictions on the types of applications that can be integrated at any state of its evolution. This includes applications of different disciplines, fidelities, etc. An implementation strategy is proposed that starts with a basic prototype, and evolves over time to accommodate an increasing number of applications. Potential (standard) software is also identified which may aid in the design and implementation of the system.

Williams, Anthony D.↗

DOE OSTI2023

Reconstruction of interactions in the ProtoDUNE-SP detector with Pandora

The Pandora Software Development Kit and algorithm libraries provide pattern-recognition logic essential to the reconstruction of particle interactions in liquid argon time projection chamber detectors. Pandora is the primary event reconstruction software used at ProtoDUNE-SP, a prototype for the Deep Underground Neutrino Experiment far detector. ProtoDUNE-SP, located at CERN, is exposed to a charged-particle test beam. This paper gives an overview of the Pandora reconstruction algorithms and how they have been tailored for use at ProtoDUNE-SP. In complex events with numerous cosmic-ray and beam background particles, the simulated reconstruction and identification efficiency for triggered test-beam particles is above 80% for the majority of particle type and beam momentum combinations. Specifically, simulated 1 GeV/c charged pions and protons are correctly reconstructed and identified with efficiencies of 86.1$\pm 0.6$% and 84.1$\pm 0.6$%, respectively. The efficiencies measured for test-beam data are shown to be within 5% of those predicted by the simulation.

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

Simulation Tools for Characterizing Stress Distribution in Laser Welded Dissimilar Joints

This project focuses on developing a thermo-metallurgical-mechanical modeling method to accurately predict the microstructural evolution and residual stress in laser welding between dissimilar metals, such as HSLA steel and high carbon equivalent (CE) gear steel. The method leverages a comprehensive material database to model the temperature and rate dependent phase transformations, along with their associated effects on material properties, such as thermal expansion and flow stress, throughout the welding process. A key innovation is the incorporation of phase transformation and phase-specific properties, which enhances the accuracy of residual stress predictions. The mixture material in the fusion zone due to the dissimilar metals will also be addressed in the numerical model. This is especially critical in scenarios involving phase transformations in the fusion zone and heat-affected zone (HAZ), where the phase changes can induce substantial residual stress variations. The material database has been generated using JMatPro. The modeling approach is implemented through a custom User Material (UMAT) subroutine, executed with the commercial finite element software Abaqus.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Simulation Tools for Characterizing Stress Distribution in Laser Welded Dissimilar Joints

36 MATERIALS SCIENCE↗

DOE OSTI2023

Dimming the Lights: 2D Simulations of Deflagrations of Hybrid C/O/Ne White Dwarfs Using FLASH

The dimmest and most numerous outlier of the Type Ia supernova population, the Type Iax event, is increasingly being found in the results of observational campaigns. There is currently no single accepted model to describe these events. This 2D study explores the viability of modeling Type Iax events as a hybrid C/O/Ne white dwarf progenitor undergoing a deflagration using the multiphysics software FLASH. This hybrid was created using the stellar evolution code MESA, and its C-depleted core and mixed structure have demonstrated lower yields than traditional C/O progenitors in previous deflagration-to-detonation studies. To generate a sample, 30 “realizations” of this simulation were performed, the only difference being the shape of the initial match head used to start the deflagration. Consistent with earlier work, these realizations produce the familiar hot dense bound remnant surrounded by sparse ejecta. Our results indicate that the majority of the star remains unburned (∼70%) and bound (>90%). Our realizations produce total ejecta yields on the order of 10 −2 –10 −1 M ☉ , ejected 56 Ni yields on the order of 10 −4 –10 −2 M ☉ , and ejecta kinetic energies on the order of 10 48 –10 49 erg. Compared to yields inferred from recent observations of the dimmest Type Iax events—SN 2007qd, SN 2008ha, SN 2010ae, SN 2019gsc, SN 2019muj, SN 2020kyg, and SN 2021fcg—our simulation produces comparable 56 Ni yields but too-small total yields and kinetic energies. Reignition of the remnant is also seen in some realizations.

Hydrodynamical simulations↗

NASA NTRS1989

Computational procedures for postbuckling of composite shells

A recently developed finite-element capability for general nonlinear shell analysis, featuring the use of three-dimensional constitutive equations within an efficient resultant-oriented framework, is employed to simulate the postbuckling response of an axially compressed composite cylindrical panel with a circular cutout. The problem is a generic example of modern composite aircraft components for which postbuckling strength (i.e., fail-safety) is desired in the presence of local discontinuities such as holes and cracked stiffeners. While the computational software does a reasonable job of predicting both the buckling load and the qualitative aspects of postbuckling (compared both with experiment and another code) there are some discrepancies due to: (1) uncertainties in the nominal layer material properties, (2) structural sensitivity to initial imperfections, and (3) the neglect of dynamic and local material delamination effects in the numerical model. Corresponding refinements are suggested for the realistic continuation of this type of analysis.

Stanley, G. M.↗

NASA NTRS1991

Instrumentation, performance visualization, and debugging tools for multiprocessors

The need for computing power has forced a migration from serial computation on a single processor to parallel processing on multiprocessor architectures. However, without effective means to monitor (and visualize) program execution, debugging, and tuning parallel programs becomes intractably difficult as program complexity increases with the number of processors. Research on performance evaluation tools for multiprocessors is being carried out at ARC. Besides investigating new techniques for instrumenting, monitoring, and presenting the state of parallel program execution in a coherent and user-friendly manner, prototypes of software tools are being incorporated into the run-time environments of various hardware testbeds to evaluate their impact on user productivity. Our current tool set, the Ames Instrumentation Systems (AIMS), incorporates features from various software systems developed in academia and industry. The execution of FORTRAN programs on the Intel iPSC/860 can be automatically instrumented and monitored. Performance data collected in this manner can be displayed graphically on workstations supporting X-Windows. We have successfully compared various parallel algorithms for computational fluid dynamics (CFD) applications in collaboration with scientists from the Numerical Aerodynamic Simulation Systems Division. By performing these comparisons, we show that performance monitors and debuggers such as AIMS are practical and can illuminate the complex dynamics that occur within parallel programs.

Yan, Jerry C.↗

DOE OSTI2020

Experimental and Numerical Investigation of a Miniature Additively Manufactured Vortex Tube

Ranque–Hilsch vortex tubes are simple devices that can produce a cooling effect using compressed air. A key advantage of vortex tubes is the lack of moving solid parts; however, their efficiencies are relatively low. The present study focuses on the development of a miniature variable-diameter tube using additive manufacturing. A metal-based 3D printing technique was utilized to fabricate this vortex tube monolithically. Computational fluid dynamics simulations employing software STAR-CCM + with a compressible Reynolds-Averaged Navier–Stokes (RANS) approach and the elliptic-blending lag k-epsilon turbulence model have been applied to model thermofluid processes inside the vortex tube, to good agreement with the experiment. In conclusion, a temperature decrease of 13.3 °C and a cooling power of approximately 4 W were experimentally achieved with a pressure ratio of 4 in the air at normal conditions. This result shows promise for the goal of utilizing additive manufacturing to design and build complex-geometry vortex tubes intended for use with cryogenic fluids.

08 HYDROGEN↗

DOE OSTI2021

Resiliency in numerical algorithm design for extreme scale simulations

Here this work is based on the seminar titled ‘Resiliency in Numerical Algorithm Design for Extreme Scale Simulations’ held March 1–6, 2020, at Schloss Dagstuhl, that was attended by all the authors. Advanced supercomputing is characterized by very high computation speeds at the cost of involving an enormous amount of resources and costs. A typical large-scale computation running for 48 h on a system consuming 20 MW, as predicted for exascale systems, would consume a million kWh, corresponding to about 100k Euro in energy cost for executing 10 23 floating-point operations. It is clearly unacceptable to lose the whole computation if any of the several million parallel processes fails during the execution. Moreover, if a single operation suffers from a bit-flip error, should the whole computation be declared invalid? What about the notion of reproducibility itself: should this core paradigm of science be revised and refined for results that are obtained by large-scale simulation? Naive versions of conventional resilience techniques will not scale to the exascale regime: with a main memory footprint of tens of Petabytes, synchronously writing checkpoint data all the way to background storage at frequent intervals will create intolerable overheads in runtime and energy consumption. Forecasts show that the mean time between failures could be lower than the time to recover from such a checkpoint, so that large calculations at scale might not make any progress if robust alternatives are not investigated. More advanced resilience techniques must be devised. The key may lie in exploiting both advanced system features as well as specific application knowledge. Research will face two essential questions: (1) what are the reliability requirements for a particular computation and (2) how do we best design the algorithms and software to meet these requirements? While the analysis of use cases can help understand the particular reliability requirements, the construction of remedies is currently wide open. One avenue would be to refine and improve on system- or application-level checkpointing and rollback strategies in the case an error is detected. Developers might use fault notification interfaces and flexible runtime systems to respond to node failures in an application-dependent fashion. Novel numerical algorithms or more stochastic computational approaches may be required to meet accuracy requirements in the face of undetectable soft errors. These ideas constituted an essential topic of the seminar. The goal of this Dagstuhl Seminar was to bring together a diverse group of scientists with expertise in exascale computing to discuss novel ways to make applications resilient against detected and undetected faults. In particular, participants explored the role that algorithms and applications play in the holistic approach needed to tackle this challenge. This article gathers a broad range of perspectives on the role of algorithms, applications and systems in achieving resilience for extreme scale simulations. The ultimate goal is to spark novel ideas and encourage the development of concrete solutions for achieving such resilience holistically.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1999

Analytical Assessment of a Gross Leakage Event Within the International Space Station (ISS) Node 2 Internal Active Thermal Control System (IATCS)

Results of the International Space Station (ISS) Node 2 Internal Active Thermal Control System (IATCS) gross leakage analysis are presented for evaluating total leakage flowrates and volume discharge caused by a gross leakage event (i.e. open boundary condition). A Systems Improved Numerical Differencing Analyzer and Fluid Integrator (SINDA/FLUINT) thermal hydraulic mathematical model (THMM) representing the Node 2 IATCS was developed to simulate system performance under steady-state nominal conditions as well as the transient flow effects resulting from an open line exposed to ambient. The objective of the analysis was to determine the adequacy of the leak detection software in limiting the quantity of fluid lost during a gross leakage event to within an acceptable level.

Holt, James M.↗

NASA NTRS2001

Analytical Assessment of a Gross Leakage Event Within the International Space Station (ISS) Node 2 Internal Active Thermal Control System (IATCS)

Results of the International Space Station (ISS) Node 2 Internal Active Thermal Control System (IATCS) gross leakage analysis are presented for evaluating total leakage flow rates and volume discharge caused by a gross leakage event (i.e. open boundary condition). A Systems Improved Numerical Differencing Analyzer and Fluid Integrator (SINDA85/FLUINT) thermal hydraulic mathematical model (THMM) representing the Node 2 IATCS was developed to simulate system performance under steady-state nominal conditions as well as the transient flow effect resulting from an open line exposed to ambient. The objective of the analysis was to determine the adequacy of the leak detection software in limiting the quantity of fluid lost during a gross leakage event to within an acceptable level.

Holt, James M.↗

DOE OSTI2024

A Reactor Scale-Up Methodology from Lab-Scale to Pilot-Scale Operations: Numerical Modeling of THFA Dehydration to DHP in Packed-Bed Reactors

This manuscript discusses developing a model-based scale-up methodology for a successful technology transfer of gas-phase catalytic reactors from a lab-scale to a pilot-scale operation. The manuscript demonstrates the methodology for gas-phase dehydration of tetrahydrofurfuryl alcohol (THFA) to dihydropyran (DHP) process over commercial Al 2 O 3 catalysts. A two-dimensional reactor model was developed using COMSOL Multiphysics 6.1 software. The model solves heat and mass transport equations in bed-scale and particle scales simultaneously. This powerful feature enables accurate prediction of the heat and mass transfer limitations in pilot-scale reactors, if any exists. Further, the model uses isothermal lab-scale experimental data to derive and validate the reaction chemistry, flow fields and boundary conditions. The model was then scaled-up to project conversion, selectivity, yield and formation rate of DHP in a pilot-scale reactor. The results highlight the complex nature of chemistry, heat, and mass transfer effects in lab-scale and pilot-scale reactors. The model results inform the possible operational limitations of the pilot-scale reactor and design strategies to improve process efficiency. Although the scale-up approach is explained through the THFA dehydration process, the methodology is applicable to any catalytic packed-bed reactor models for a successful process scale-up.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1988

NESSUS (Numerical Evaluation of Stochastic Structures Under Stress)/EXPERT: Bridging the gap between artificial intelligence and FORTRAN

The development of a probabilistic structural analysis methodology (PSAM) is described. In the near-term, the methodology will be applied to designing critical components of the next generation space shuttle main engine. In the long-term, PSAM will be applied very broadly, providing designers with a new technology for more effective design of structures whose character and performance are significantly affected by random variables. The software under development to implement the ideas developed in PSAM resembles, in many ways, conventional deterministic structural analysis code. However, several additional capabilities regarding the probabilistic analysis makes the input data requirements and the resulting output even more complex. As a result, an intelligent front- and back-end to the code is being developed to assist the design engineer in providing the input data in a correct and appropriate manner. The type of knowledge that this entails is, in general, heuristically-based, allowing the fairly well-understood technology of production rules to apply with little difficulty. However, the PSAM code, called NESSUS, is written in FORTRAN-77 and runs on a DEC VAX. Thus, the associated expert system, called NESSUS/EXPERT, must run on a DEC VAX as well, and integrate effectively and efficiently with the existing FORTRAN code. This paper discusses the process undergone to select a suitable tool, identify an appropriate division between the functions that should be performed in FORTRAN and those that should be performed by production rules, and how integration of the conventional and AI technologies was achieved.

Fink, Pamela K.↗

NASA NTRS2005

Multi-Agent Software Design and Engineering for Human Centered Collaborative Autonomous Space Systems: NASA Intelligent Systems

Detailed results of this three-year project are available in 37 publications, including 7 book chapters, 3 journal articles, and 27 refereed conference proceedings. In addition, various aspects of the project were the subject of 31 invited presentations and 6 tutorials at international conferences and workshops. Good descriptions of prior and ongoing work on foundational technologies in Brahms, KAoS, NOMADS, and the PSA project can be found in numerous publications not listed here.

Bradshaw, Jeffrey M.↗

NASA NTRS1983

CDC to CRAY FORTRAN conversion manual

Documentation describing software differences between two general purpose computers for scientific applications is presented. Descriptions of the use of the FORTRAN and FORTRAN 77 high level programming language on a CDC 7600 under SCOPE and a CRAY XMP under COS are offered. Itemized differences of the FORTRAN language sets of the two machines are also included. The material is accompanied by numerous examples of preferred programming techniques for the two machines.

Mcgary, C.↗

NASA NTRS1992

TIGER: A graphically interactive grid system for turbomachinery applications

Numerical grid generation algorithm associated with the flow field about turbomachinery geometries is presented. Graphical user interface is developed with FORMS Library to create an interactive, user-friendly working environment. This customized algorithm reduces the man-hours required to generate a grid associated with turbomachinery geometry, as compared to the use of general-purpose grid generation softwares. Bezier curves are utilized both interactively and automatically to accomplish grid line smoothness and orthogonality. Graphical User Interactions are provided in the algorithm, allowing the user to design and manipulate the grid lines with a mouse.

Shih, Ming-Hsin↗