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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2

FY2022 Q4: Demonstrate multi-turbine simulation with hybrid-structured/unstructured-moving-grid software stack running primarily on GPUs and propose improvements for successful KPP-2 [Poster]

Milestone accomplishments staged the ExaWind team for successful completion of KPP-2 challenge problem in FY23, which requires the simulation on Frontier of at least four MW-scale turbines in an atmospheric boundary layer with at least 20B gridpoints. The ExaWind project and software stack is many faceted, with team members working on multiple areas, including linear-system solvers (Trilinos, hypre, AMReX), overset meshes, turbulence modeling, and in situ visualization, all with an aim for high fidelity predictions and performance portability. This milestone marks significant improvements on many fronts and provides the team with a pathway to exascale wind farm simulations in FY23.

17 WIND ENERGY↗

Engine structures modeling software system: Computer code. User's manual

ESMOSS is a specialized software system for the construction of geometric descriptive and discrete analytical models of engine parts, components and substructures which can be transferred to finite element analysis programs such as NASTRAN. The software architecture of ESMOSS is designed in modular form with a central executive module through which the user controls and directs the development of the analytical model. Modules consist of a geometric shape generator, a library of discretization procedures, interfacing modules to join both geometric and discrete models, a deck generator to produce input for NASTRAN and a 'recipe' processor which generates geometric models from parametric definitions. ESMOSS can be executed both in interactive and batch modes. Interactive mode is considered to be the default mode and that mode will be assumed in the discussion in this document unless stated otherwise.

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Engine Structural Analysis Software

The report describes the technical effort to develop: (1) geometry recipes for nozzles, inlets, disks, frames, shafts, and ducts in finite element form, (2) component design tools for nozzles, inlets, disks, frames, shafts, and ducts which utilize the recipes and (3) an integrated design tool which combines the simulations of the nozzles, inlets, disks, frames, shafts, and ducts with the previously developed combustor, turbine blade, and turbine vane models for a total engine representation. These developments will be accomplished in cooperation and in conjunction with comparable efforts of NASA Glenn Research Center.

McKnight, R. L.↗

Fault-tolerant software for aircraft control systems

Concepts for software to implement real time aircraft control systems on a centralized digital computer were discussed. A fault tolerant software structure employing functionally redundant routines with concurrent error detection was proposed for critical control functions involving safety of flight and landing. A degraded recovery block concept was devised to allow collocation of critical and noncritical software modules within the same control structure. The additional computer resources required to implement the proposed software structure for a representative set of aircraft control functions were discussed. It was estimated that approximately 30 percent more memory space is required to implement the total set of control functions. A reliability model for the fault tolerant software was described and parametric estimates of failure rate were made.

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Improving and Automating Building Model Data Exchange

There are many instances throughout a project’s lifecycle where there arises a need for quick and accurate risk assessment of building designs. For example, an unexpected design change during construction may necessitate structural engineers to perform a seismic risk assessment on analytical models of the updated building design using high fidelity structural analysis software, such as ANSYS or Abaqus. However, the efficiency of such workflows often depends upon the interoperability of architectural design software and structural analysis software. When the quality of this interoperability is lacking or even non-existent, the efficiency of virtual engineering workflows is hampered, which increases project costs. A McGraw Hill industry survey of professional users of Building Information Modeling (BIM) technologies found that there is high demand for BIM interoperability for structural analysis, but that the value/difficulty ratio is currently too low for practical use. There have been efforts by the academic community to facilitate model data exchange between the architectural design and structural analysis domains, but such solutions have not been widely adopted by industry, face technical challenges, and oftentimes are limited in applicability for users of various BIM software. Therefore, INL is developing capabilities to improve, automate, and generalize model data exchange between architectural BIM software (e.g., Revit) and structural analysis software (e.g., SAP2000, ANSYS). The goal is to help expedite and automate as much of the pre-processing step for creating analytical models in finite element analysis software as reasonably as possible. Such a "BIM-to-FEA" conversion tool should provide direct benefit to end-users through accuracy, automation, quick turn-around, and wide applicability. To generalize the application of this BIM-to-FEA conversion tool and increase its useability among the many different commercial BIM software currently used by industry, the program is being developed with the concept of openBIM. OpenBIM is the application of non-proprietary, open data standards that allow for BIM model data exchange in a format that is accessible, retainable, and useable for all users. The most widely used open, non-proprietary data exchange format for BIM is the Industry Foundation Classes (IFC) schema. IFC is developed by buildingSMART international and is ISO certified (ISO 16739-1:2018). The BIM-to-FEA conversion tool is being developed for compatibility with typical commercial building designs of steel framed structures. The tool is currently capable of importing architectural BIM data of framed building structures, recognizing and extracting the aspects of the model that are required for structural analysis, adjusting the connectivity of frame members, and finally exporting to an analytical model stored in the IFC format. The exported IFC analytical model can then be imported into various openBIM compliant software, such as SAP2000. Such capabilities have already been tested on commercial software, as shown above, and continue to be improved. Work is underway to test the conversion on various commercial BIM software, develop a user-friendly interface, incorporate the program into the broader DeepLynx data warehouse project being developed by INL, and to eventually open-source the tool for the benefit of the community. Future development of the tool envisions the ability for efficient iterative risk assessment of generative building designs, all within a workflow utilizing open-source tools. One such open-source tool will be MOOSE, an advanced finite element analysis tool developed at INL. The conversion tool will also branch out from typical commercial building designs and will aim to incorporate nuclear construction. The aim will be to convert both structural and non-structural components of nuclear facilities, such as curved concrete containment structures and piping systems, respectively.

97 MATHEMATICS AND COMPUTING↗

SHMTools: Structural Health Monitoring Software for Aerospace, Civil, and Mechanical Infrastructure

Structural Health Monitoring (SHM) involves a multitude of processes designed to detect damage in situ on various types of structures, from aircraft and buildings to bridges and mechanical infrastructure. In an early example of SHM, railroad wheeltappers used a hammer to strike train wheels to determine if there was damage present. At Los Alamos, scientists have developed SHMTools, a software suite that provides more than 100 advanced algorithms that quickly prototype and evaluate damage-detection processes. The software consists of modular MATLAB routines covering the three main stages of SHM: data acquisition, feature extraction, and feature classification. Multiple sensing modalities are supported, including acceleration, strain, and guided-wave data, all of which have been widely used in SHM practice.

42 ENGINEERING↗

Benefits of Matching Domain Structure for Planning Software: The Right Stuff

We investigated the role of domain structure in software design. We compared 2 planning applications, for a Mission Control group (International Space Station), and measured users speed and accuracy. Based on our needs analysis, we identified domain structure and used this to develop new prototype software that matched domain structure better than the legacy system. We took a high-fidelity analog of the natural task into the laboratory and found (large) periformance differences, favoring the system that matched domain structure. Our task design enabled us to attribute better periormance to better match of domain structure. We ran through the whole development cycle, in miniature, from needs analysis through design, development, and evaluation. Doing so enabled inferences not just about the particular systems compared, but also provided evidence for the viability of the design process (particularly needs analysis) that we are exploring.

Billman, Dorrit Owen↗

User interactive electric propulsion software design

As electric propulsion technology matures from laboratory development to flight application, mission planners and spacecraft designers are increasingly required to determine the benefits and integration issues of using this propulsion capability. A computer software tool for supporting these analyses is presented. This tool combines detailed analytical models describing electric propulsion engine performance and subsystem design, and a software structure that is highly user interactive and adaptable. The software design methodology used to develop this software tool is presented in this paper.

Aston, Martha B.↗

Parallel processors and nonlinear structural dynamics algorithms and software

A nonlinear structural dynamics program with an element library that exploits parallel processing is under development. The aim is to exploit scheduling-allocation so that parallel processing and vectorization can effectively be treated in a general purpose program. As a byproduct an automatic scheme for assigning time steps was devised. A rudimentary form of the program is complete and has been tested; it shows substantial advantage can be taken of parallelism. In addition, a stability proof for the subcycling algorithm has been developed.

Belytschko, T.↗

Parallel processors and nonlinear structural dynamics algorithms and software

A nonlinear structural dynamics finite element program was developed to run on a shared memory multiprocessor with pipeline processors. The program, WHAMS, was used as a framework for this work. The program employs explicit time integration and has the capability to handle both the nonlinear material behavior and large displacement response of 3-D structures. The elasto-plastic material model uses an isotropic strain hardening law which is input as a piecewise linear function. Geometric nonlinearities are handled by a corotational formulation in which a coordinate system is embedded at the integration point of each element. Currently, the program has an element library consisting of a beam element based on Euler-Bernoulli theory and trianglar and quadrilateral plate element based on Mindlin theory.

Belytschko, Ted↗

A Practical Approach to Modified Condition/Decision Coverage

Testing of software intended for safety-critical applications in commercial transport aircraft must achieve modified condition/decision coverage (MC/DC) of the software structure. This requirement causes anxiety for many within the aviation software community. Results of a survey of the aviation software industry indicate that many developers believe that meeting the MC/DC requirement is difficult, and the cost is exorbitant. Some of the difficulties stem, no doubt, from the scant information available on the subject. This paper provides a practical 5-step approach for assessing MC/DC for aviation software products, and an analysis of some types of errors expected to be caught when MC/DC is achieved1.

Hayhurst, Kelly J.↗

Software reliability experiments data analysis and investigation

The objectives are to investigate the fundamental reasons which cause independently developed software programs to fail dependently, and to examine fault tolerant software structures which maximize reliability gain in the presence of such dependent failure behavior. The authors used 20 redundant programs from a software reliability experiment to analyze the software errors causing coincident failures, to compare the reliability of N-version and recovery block structures composed of these programs, and to examine the impact of diversity on software reliability using subpopulations of these programs. The results indicate that both conceptually related and unrelated errors can cause coincident failures and that recovery block structures offer more reliability gain than N-version structures if acceptance checks that fail independently from the software components are available. The authors present a theory of general program checkers that have potential application for acceptance tests.

Walker, J. Leslie↗

Cleanroom software development

The 'cleanroom' software development process is a technical and organizational approach to developing software with certifiable reliability. Key ideas behind the process are well structured software specifications, randomized testing methods and the introduction of statistical controls; but the main point is to deny entry for defects during the development of software. This latter point suggests the use of the term 'cleanroom' in analogy to the defect prevention controls used in the manufacturing of high technology hardware. In the 'cleanroom', the entire software development process is embedded within a formal statistical design, in contrast to executing selected tests and appealing to the randomness of operational settings for drawing statistical inferences. Instead, random testing is introduced as a part of the statistical design itself so that when development and testing are completed, statistical inferences are made about the operation of the system.

Dyer, M.↗

Towards a document structure editor for software requirements analysis

Of the six or seven phases of the software engineering life cycle, requirements analysis tends to be the least understood and the least formalized. Correspondingly, a scarcity of useful software tools exist which aid in the development of user and system requirements. It is proposed that requirements analysis should culminate in a set of documents similar to those that usually accompany a delivered Software product. The design of a software tool, the Document Structure Editor, which facilitates the development of such documentation.

Kowalski, Vincent J.↗

Thermal analysis research applicable to space station technology needs

Thermal analysis, optimization, and software research and development at the NASA Langley Research Center which is applicable to analytical design calculations for space station structures are summarized. Topics discussed include integrated thermal-structural software, improved thermal radiation analysis, solution techniques for transient temperatures, unified thermal-structural finite elements, thermal structural sensitivity analysis and optimization, and concept and performance analysis for heat pipes.

Adelman, H. M.↗

TU-G-BRD-01: Quantifying the Effectiveness of the Physics Pre-Treatment Plan Review for Detecting Errors in Radiation Therapy

Purpose: Physics pre-treatment plan review is crucial to safe radiation oncology treatments. Studies show that most errors originate in treatment planning, which underscores the importance of physics plan review. As a QA measure the physics review is of fundamental importance and is central to the profession of medical physics. However, little is known about its effectiveness. More hard data are needed. The purpose of this study was to quantify the effectiveness of physics review with the goal of improving it. Methods: This study analyzed 315 “potentially serious” near-miss incidents within an institutional incident learning system collected over a two-year period. 139 of these originated prior to physics review and were found at the review or after. Incidents were classified as events that: 1)were detected by physics review, 2)could have been detected (but were not), and 3)could not have been detected. Category 1 and 2 events were classified by which specific check (within physics review) detected or could have detected the event. Results: Of the 139 analyzed events, 73/139 (53%) were detected or could have been detected by the physics review; although, 42/73 (58%) were not actually detected. 45/73 (62%) errors originated in treatment planning, making physics review the first step in the workflow that could detect the error. Two specific physics checks were particularly effective (combined effectiveness of >20%): verifying DRRs (8/73) and verifying isocenter (7/73). Software-based plan checking systems were evaluated and found to have potential effectiveness of 40%. Given current data structures, software implementations of some tests such as isocenter verification check would be challenging. Conclusion: Physics plan review is a key safety measure and can detect majority of reported events. However, a majority of events that potentially could have been detected were NOT detected in this study, indicating the need to improve the performance of physics review.

60 APPLIED LIFE SCIENCES↗

CP2K: An Electronic Structure and Molecular Dynamics Software Package - Quickstep: Efficient and Accurate Electronic Structure Calculations

CP2K is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular and biological systems. It is especially aimed at massively-parallel and linear-scaling electronic structure methods and state-of-the-art ab-initio molecular dynamics simulations. Excellent performance for electronic structure calculations is achieved using novel algorithms implemented for modern high-performance computing systems. This review revisits the main capabilities of CP2K to perform efficient and accurate electronic structure simulations. The emphasis is put on density functional theory and multiple post-Hartree-Fock methods using the Gaussian and plane wave approach and its augmented all-electron extension. TDK has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (grant agreement No. 716142). VRR has been supported by the Swiss National Science Foundation in the form of Ambizione grant No. PZ00P2 174227 and RZK by the Natural Sciences and Engineering Research Council of Canada (NSERC) through Discovery Grants (RGPIN-2016-0505). GKS and CJM are supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. UK based work was funded under the embedded CSE programme of the ARCHER UK National Supercomputing Service (http://www.archer.ac.uk), grants eCSE03-011, eCSE06-6, eCSE08-9, eCSE13-17 and the EPSRC (EP/P022235/1) grant “Surface and Interface Toolkit for the Materials Chemistry Community". Computational resources were provided by the Swiss National Supercomputing Centre (CSCS) and Compute Canada. The generous allocation of computing time on the FPGA-based supercomputer “Noctua" at PC2 is kindly acknowledged.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗