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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Modeling inter- and intra-granular dislocation transport using crystal plasticity

Here, this work presents the development of a crystal plasticity material model that incorporates both dislocation transport within grains and dislocation transfer across grain boundaries. This model has been implemented in the open-source finite element code MOOSE. In addition, a novel geometry-based criterion is developed to determine the direction of dislocation transfer across grain boundaries. The transfer criterion incorporates the geometric features of the grain boundary, such as the grain boundary plane normal, and its misorientation, which is accounted for through the orientation of the incoming and outgoing slip systems. The model is tested with several cases, including a copper single crystal, bi-crystal, and polycrystal. The development of the transfer criterion, implementation of the model, and its application to these test cases are discussed in detail.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Numerical simulation of vortex-induced vibration response of a single IEA 10-MW wind turbine blade

Three-dimensional simulation of vortex-induced vibration (VIV) of a single International Energy Agency (IEA) 10-MW reference wind turbine blade with a length of 97.325 m is performed using the ExaWind stack, an open-source suite of codes. This study aims to illustrate the spanwise VIV response characteristics and cross-validate the results with an existing commercial framework. Five near-body meshes and three time steps are selected for the convergence study. To improve computational efficiency, several VIV triggering methods are also compared to shorten the VIV development period. The ExaWind-based VIV simulation strategy for a single IEA 10-MW blade is determined. First, the modal shape is validated against published results. Then, spanwise VIV responses of four blade configurations under a fixed and varied incoming flow velocity are analyzed. Results show that the VIV response is dominated by the first edgewise (second overall) mode. Little first-mode contributions appear near the second-mode node, producing a pi phase jump, and a higher harmonics response occurs near the blade root. Rotational degrees of freedom are minor compared with translational motion. The response versus reduced velocity is analyzed, showing a two-branch behavior similar to that of VIV for a bluff cylinder. Across all tested cases, the dominant frequency remains locked to the natural frequency of the second mode with no observed desynchronization. A mild deviation is observed for the case of 90-degree pitch and 310-degree azimuth rotation near a reduced velocity of 6, which will be examined with additional cases in future work. These findings indicate that severe VIV responses can arise under specific configurations and flow conditions, thereby increasing the potential for VIV fatigue damage and requiring greater attention during operation.

17 WIND ENERGY↗
DOE OSTI2026

Energy-Screened Many-Body Expansion for Protein–Ligand Interactions: Examining Convergence for Metalloenzymes Through Seven–Body Interactions

Fragment-based quantum chemistry is a powerful strategy for calculating protein−ligand interaction energies using quantum chemistry methods. Rigorous convergence often requires hundreds of atoms in the protein binding-site model, especially if that model is constructed using distance-based criteria to select amino acid residues, while three- and four-body calculations exhibit instability related to combinatorial proliferation in the number of subsystem calculations. Here, we report an energy-based screening protocol for the many-body expansion applied to protein−ligand interactions, implemented in the open-source FRAGME∩T code. Using a combination of aggressive screening based on semiempirical quantum chemistry, with an improved graph-theoretical algorithm to eliminate unimportant subsystems, we are able to perform n-body calculations up to n = 7 using density functional theory in triple-ζ basis sets. Distance cutoffs further reduce the cost without compromising accuracy. Rapid and stable convergence of the many-body expansion is obtained by n = 4, for a pair of metalloenzymes in which a divalent ion coordinates directly to the ligand. As compared to previous results that relied solely on distance cutoffs, oscillations in the n-body corrections are reduced or eliminated, although residual errors remain in one case. This work demonstrates that benchmark-quality protein−ligand interaction energies can be systematically converged using a method with excellent parallel efficiency and scalability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Exascale-Enabled Models and Algorithms for Microelectronics Applications (MicroEleX) v1

The MicroEleX code package contains a variety of models and algorithms for physical modeling of microelectronic circuitry, including electrostatics, electrodynamics, superconducting physics, micromagnetics, multi-ferroic systems, and quantum transport. MicroEleX leverages the AMReX software framework to provide scalability on GPU-based supercomputing architectures. The code is open source and designed to be algorithmically flexible so developers can incorporate enhanced or customized physics.

Nonaka, Andy↗
DOE OSTI2024

Preliminary Study of Iodine Gas Removal in Sodium Pools

Potential iodine gas release from failed fuel pins is a critical factor in the source term analysis of oxide fuel-loaded sodium fast reactors (SFRs). The accumulated iodine-containing gas mixtures inside pin plenums are expected to be ejected during pin failures and rise through sodium pool, with potential release of gaseous iodine to the cover gas region. Due to its potential radiological impacts, a proper assessment of iodine behavior is necessary for an accurate source term assessment. Throughout the bubble rise trajectory in the sodium pool, iodine gas is continuously removed or transformed at the bubble interface by diffusion, as the combining reaction between the iodine and sodium to form sodium iodide (NaI) is a chemically preferred process. As the final amount of iodine released from the facility is strongly influenced by the removal phenomenon inside the sodium pool, experiments were previously performed by PNC (Power Reactor and Nuclear Fuel Development Corporation) to provide insight into this phenomenon. To assess the accuracy of present methods for predicting iodine gas removal within sodium pools, several candidate approaches, available in source term analysis codes, have been summarized and evaluated in this study. Spherical cap bubbles and spherical bubbles are considered in accordance with the methods adopted in each approach, and different forms of correlations for major parameters have been implemented in accordance with the original adoptions. Based on the summarized results, important aspects to be considered have been derived.

Decontamination↗
DOE OSTI2026

A Streamlined, Open Source Neutronics Toolkit for Fusion Reactor Design (Final Report)

Final report for the DOE Fusion Energy Sciences project titled "A Streamlined, Open Source Neutronics Toolkit for Fusion Reactor Design". This project developed unstructured mesh tracking capabilities in OpenMC as well as two shutdown dose rate methodologies, and performed extensive performance improvements and validation of the open source Monte Carlo code, OpenMC.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Pre-metered coating flow models with Goma 7: Workflow Tutorial

Tutorials for modeling of slot-die and slide-die coating flows with Goma 7, an open source finite element code, are presented. The tutorials cover the workflow to attaining steady state solutions for these flows, and continuation strategies for navigating the operating windows. Advanced topics of coating window prediction, automated multiparameter continuation, non-Newtonian rheology, dynamic contact line modeling, and some more solution strategies are also covered.

08 HYDROGEN↗
NASA NTRS1975

Digital TV processing system

Two digital video data compression systems directly applicable to the Space Shuttle TV Communication System were described: (1) For the uplink, a low rate monochrome data compressor is used. The compression is achieved by using a motion detection technique in the Hadamard domain. To transform the variable source rate into a fixed rate, an adaptive rate buffer is provided. (2) For the downlink, a color data compressor is considered. The compression is achieved first by intra-color transformation of the original signal vector, into a vector which has lower information entropy. Then two-dimensional data compression techniques are applied to the Hadamard transformed components of this last vector. Mathematical models and data reliability analyses were also provided for the above video data compression techniques transmitted over a channel encoded Gaussian channel. It was shown that substantial gains can be achieved by the combination of video source and channel coding.

Source record↗
NASA NTRS1982

Estimates of software size from state machine designs

The length, or size (in number of Source Lines of Code) of programs represented as state machines, it is demonstrated, can be reliably estimated in terms of the number of internal state machine variables.

Britcher, R. N.↗
NASA NTRS1982

The Pinhole/Occulter Facility

The Pinhole/Occulter Facility concept uses a remote occulting mask to provide high resolution observations of the solar corona and of astronomical X-ray sources. With coded-aperture and Fourier-transform techniques, the Pinhole/Occulter makes images at a resolution of 0.2 arc sec for 2-120 keV X-rays, using a 50-m boom erected from the payload bay of the Space Shuttle or mounted on a free-flying platform. The remote occulter also creates a large shadow area for solar coronal observations; the Pinhole/Occulter concept includes separate optical and ultraviolet telescopes with 50-cm apertures. These large telescopes will provide a new order of resolution and sensitivity for diagnostic observations of faint structures in the solar corona. The Pinhole/Occulter is a powerful and versatile tool for general-purpose X-ray astronomy, with excellent performance in a broad spectral band complementary to that accessible with AXAF. The large collecting area of 1.5 sq m results in a 5 sigma detection threshold of about 0.02 microJy for the 2-10 keV band.

Hudson, H. S.↗
NASA NTRS1983

Flow field description for the reaction control system of the Space Shuttle Orbiter

The flow field for the Reaction Control System (RCS) jets of the Space Shuttle Orbiter has been calculated from the nozzle throat to the far-field flow region. The calculations involved the use of recently improved rocket engine nozzle/plume codes and the source flow analytic model. The flow solution is discussed and used to produce impingement forces and moments for surfaces immersed in the flow. The impingement results are compared to calculations involving previous flow solutions in order to evaluate the impingement effects due to the RCS jets during orbital operations.

Alred, J. W.↗
NASA NTRS1983

Metric analysis and data validation across FORTRAN projects

The desire to predict the effort in developing or explaining the quality of software has led to the proposal of several metrics. As a step toward validating these metrics, the Software Engineering Laboratory (SEL) has analyzed the software science metrics, cyclomatic complexity, and various standard program measures for their relation to effort (including design through acceptance testing), development errors (both discrete and weighted according to the amount of time to locate and fix), and one another. The data investigated are collected from a project FORTRAN environment and examined across several projects at once, within individual projects and by reporting accuracy checks demonstrating the need to validate a database. When the data comes from individual programmers or certain validated projects, the metrics' correlations with actual effort seem to be strongest. For modules developed entirely by individual programmers, the validity ratios induce a statistically significant ordering of several of the metrics' correlations. When comparing the strongest correlations, neither software science's E metric cyclomatic complexity not source lines of code appears to relate convincingly better with effort than the others.

Basili, Victor R.↗
NASA NTRS1988

Ada software productivity prototypes: A case study

A case study of the impact of Ada on a Command and Control project completed at the Jet Propulsion Laboratory (JPL) is given. The data for this study was collected as part of a general survey of software costs and productivity at JPL and other NASA sites. The task analyzed is a successful example of the use of rapid prototyping as applied to command and control for the U.S. Air Force and provides the U.S. Air Force Military Airlift Command with the ability to track aircraft, air crews and payloads worldwide. The task consists of a replicated database at several globally distributed sites. The local databases at each site can be updated within seconds after changes are entered at any one site. The system must be able to handle up to 400,000 activities per day. There are currently seven sites, each with a local area network of computers and a variety of user displays; the local area networks are tied together into a single wide area network. Using data obtained for eight modules, totaling approximately 500,000 source lines of code, researchers analyze the differences in productivities between subtasks. Factors considered are percentage of Ada used in coding, years of programmer experience, and the use of Ada tools and modern programming practices. The principle findings are the following. Productivity is very sensitive to programmer experience. The use of Ada software tools and the use of modern programming practices are important; without such use Ada is just a large complex language which can cause productivity to decrease. The impact of Ada on development effort phases is consistent with earlier reports at the project level but not at the module level.

Hihn, Jairus M.↗
NASA NTRS1992

Object-oriented productivity metrics

Software productivity metrics are useful for sizing and costing proposed software and for measuring development productivity. Estimating and measuring source lines of code (SLOC) has proven to be a bad idea because it encourages writing more lines of code and using lower level languages. Function Point Analysis is an improved software metric system, but it is not compatible with newer rapid prototyping and object-oriented approaches to software development. A process is presented here for counting object-oriented effort points, based on a preliminary object-oriented analysis. It is proposed that this approach is compatible with object-oriented analysis, design, programming, and rapid prototyping. Statistics gathered on actual projects are presented to validate the approach.

Connell, John L.↗
NASA NTRS1996

Quiet High-Speed Fan

A calibration of the acoustic and aerodynamic prediction methods was performed and a baseline fan definition was established and evaluated to support the quiet high speed fan program. A computational fluid dynamic analysis of the NASA QF-12 Fan rotor, using the DAWES flow simulation program was performed to demonstrate and verify the causes of the relatively poor aerodynamic performance observed during the fan test. In addition, the rotor flowfield characteristics were qualitatively compared to the acoustic measurements to identify the key acoustic characteristics of the flow. The V072 turbofan source noise prediction code was used to generate noise predictions for the TFE731-60 fan at three operating conditions and compared to experimental data. V072 results were also used in the Acoustic Radiation Code to generate far field noise for the TFE731-60 nacelle at three speed points for the blade passage tone. A full 3-D viscous flow simulation of the current production TFE731-60 fan rotor was performed with the DAWES flow analysis program. The DAWES analysis was used to estimate the onset of multiple pure tone noise, based on predictions of inlet shock position as a function of the rotor tip speed. Finally, the TFE731-60 fan rotor wake structure predicted by the DAWES program was used to define a redesigned stator with the leading edge configured to minimize the acoustic effects of rotor wake / stator interaction, without appreciably degrading performance.

Lieber, Lysbeth↗
NASA NTRS1997

The SEL Adapts to Meet Changing Times

Since 1976, the Software Engineering Laboratory (SEL) has been dedicated to understanding and improving the way in which one NASA organization, the Flight Dynamics Division (FDD) at Goddard Space Flight Center, develops, maintains, and manages complex flight dynamics systems. It has done this by developing and refining a continual process improvement approach that allows an organization such as the FDD to fine-tune its process for its particular domain. Experimental software engineering and measurement play a significant role in this approach. The SEL is a partnership of NASA Goddard, its major software contractor, Computer Sciences Corporation (CSC), and the University of Maryland's (LTM) Department of Computer Science. The FDD primarily builds software systems that provide ground-based flight dynamics support for scientific satellites. They fall into two sets: ground systems and simulators. Ground systems are midsize systems that average around 250 thousand source lines of code (KSLOC). Ground system development projects typically last 1 - 2 years. Recent systems have been rehosted to workstations from IBM mainframes, and also contain significant new subsystems written in C and C++. The simulators are smaller systems averaging around 60 KSLOC that provide the test data for the ground systems. Simulator development lasts up to 1 year. Most of the simulators have been built in Ada on workstations. The SEL is responsible for the management and continual improvement of the software engineering processes used on these FDD projects.

Pajerski, Rose S.↗
NASA NTRS1995

Software Transition Project Retrospectives and the Application of SEL Effort Estimation Model and Boehm's COCOMO to Complex Software Transition Projects

The Multimission Image Processing Subsystem (MIPS) at the Jet Propulsion Laboratory (JPL) has managed transitions of application software sets from one operating system and hardware platform to multiple operating systems and hardware platforms. As a part of these transitions, cost estimates were generated from the personal experience of in-house developers and managers to calculate the total effort required for such projects. Productivity measures have been collected for two such transitions, one very large and the other relatively small in terms of source lines of code. These estimates used a cost estimation model similar to the Software Engineering Laboratory (SEL) Effort Estimation Model. Experience in transitioning software within JPL MIPS have uncovered a high incidence of interface complexity. Interfaces, both internal and external to individual software applications, have contributed to software transition project complexity, and thus to scheduling difficulties and larger than anticipated design work on software to be ported.

SEL Boehm COCOMO↗
NASA NTRS2020

A Computational Study to Investigate the Effect of Defect Geometries on the Fatigue Crack Driving Forces in Powder-Bed AM Materials

Powder-bed additive manufacturing (AM) processes are associated with the formation of multiple types of process-specific pores, including but not limited to lack-of-fusion (LoF) and keyhole pores. The performance of an AM component is dependent on the type of pores, their density and their proximity to the free surface, and other heterogeneities in the microstructure. In order to characterize the influence of porosity on the mechanical behavior of AM materials, it is imperative to quantitatively analyze the heterogeneous strain accumulation in the vicinity of porosity. Process-specific microstructure models are generated using SPPARKS, an open-source process simulation code. Spherical keyhole or irregular LoF pores are embedded into the microstructure models, which are meshed and input into a finite element code, ScIFEN, to solve for the heterogeneous strain localization in the vicinity of the pores. Given the non-smooth geometries of LoF pores, they readily promote strain accumulation in their vicinity thereby increasing the propensity of initiating fatigue cracks.

Saikumar R Yeratapally↗