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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 91 records · Page 5

A low-temperature, one-step synthesis for monazite can transform monazite into a readily usable advanced nuclear waste form

It has been demonstrated that monazite-type materials are excellent candidates for nuclear waste forms, and hence, their facile synthesis is of great importance for the needed sequestration of existing nuclear waste. The synthesis of monazite, LaPO 4 , requires inconveniently high temperatures near 1000°C and generally involves the conversion of the presynthesized rhabdophane, LaPO 4 •nH 2 O, to the LaPO 4 monazite phase. During this structure transformation, the rhabdophane converts irreversibly to the thermodynamically stable monoclinic monazite structure. A low-temperature (185° to 260°C) mild hydrothermal acid-promoted synthesis of monazite is described that can both transform presynthesized rhabdophane or assemble reagents to the monoclinic monazite structure. The pH dependence of this reaction is detailed, and its applicability to the LnPO 4 (Ln = La, Ce, Pr, Nd, Sm-Gd), Ca 0.5 Th 0.5 PO 4 , and Sr 0.5 Th 0.5 PO 4 systems is discussed. The crystal growth of Ca 0.5 Th 0.5 PO 4 and Sr 0.5 Th 0.5 PO 4 is described, and their crystal structures were reported. In situ x-ray diffraction studies, performed as a function of temperature, provide insight into the structure transformation process.

Biogeochemistry↗

Using a Large Language Model as a Building Block to Generate Usable Validation and Verification Suite for OpenMP

In the HPC area, both hardware and software move quickly. Often new hardware is developed and deployed, the corresponding software stack, including compilers and other tools, are under active development while leading edge software developers are working to port and tune their applications, all at the same time. While the software ecosystem is in flux, one of the key challenges for users is obtaining insight into the state of implementation of key features in the programming languages and models their applications are using – whether they have been implemented, and whether the implementation conforms to the specification, especially for newly implemented features (less tested by widespread use). OpenMP is one of the most prominent shared memory programming models used for on-node programming in HPC. With the shift towards accelerators (such as GPUs and FPGAs) and heterogeneous programming OpenMP features are getting more complex. It is natural to ask whether generative AI approaches, and large language models (LLMs) in particular, can help in producing validation and verification test suites to allow users better and faster insights into the availability and correctness of OpenMP features of interest. In this work, we explore the use of ChatGPT-4 to generate a suite of tests for OpenMP features. We have chosen a set of directives and clauses, a total of 78 combinations, which first appeared in OpenMP 3.0 (released in May 2008) but are also relevant for accelerators. We prompted ChatGPT to generate tests in the C and Fortran languages, for both host (CPU) and device (accelerator). On the Summit super-computer using the GNU implementation, we found that, of the 78 generated tests 67 C tests and 43 Fortran tests compiled successfully and fewer than those executed to completion. On further analysis we show that not all generated tests are valid. We document the process, results, and provide detailed analysis regarding the quality of tests generated. With the aim of providing input to a production quality validation and verification suite, we manually implement the corrections required to make the tests valid according to the current OpenMP specification. We quantify this effort as small, medium, or large, and record the lines of code changed to correct the invalid tests. With the corrected tests we validate recent implementations from HPE, AMD, and GNU on the Frontier supercomputer. Our experiment and subsequent analysis show that although LLMs are capable of producing HPC specific codes, they are limited by their understanding of the deeper semantics and restrictions of programming models such as OpenMP. Unsurprisingly more commonly used features have better support, while some OpenMP 3.0 directives such as sections and tasking are not universally supported on accelerators. We demonstrate that successful compilation and execution to completion are inadequate metrics for evaluating generated code and that, at this time, commodity LLMs require expert intervention for code verification. This points to gaps in the training data that is currently available for HPC. We demonstrate that with "small" effort 37% of generated invalid C tests and 63% of generated invalid Fortran tests could be corrected. This improves productivity of test generation as we circumvent writing from scratch and the common programming errors associated with it.

Pophale, Swaroop [ORNL] (ORCID:0000000185446367)↗

Complete Demonstration of a Prototype Version of FORCE User Interface and Conduct Analyst Survey Collecting Feedback on Interface Features and Usability

In 2024 the US Department of Energy (DOE) Office of Nuclear Energy (NE) Integrated Energy System (IES) program continued to develop the Framework for Optimization of Resources and Economics (FORCE) analysis ecosystem into a more traditional toolset with simplified software installation, automated workflows, and interactive results visualization. The DOE-NE Nuclear Energy Advanced Modeling and Simulation (NEAMS) Workbench continued to be leveraged for user input, application workflow and runtime environment, and interactive results visualization capabilities. This report documents the demonstration of a FORCE User Interface (UI) prototype and the results of a survey of analysts’ using the Holistic Energy Resource Optimization Network (HERON) tool in FORCE with the prototype UI.

97 MATHEMATICS AND COMPUTING↗

IRI Technology Landscape – A survey of re-usable components and methodologies

This document describes technical implementation details on network access schemes connecting API-driven workflows to supercomputer centers. API-driven workflows are a central theme in connected computing, since they bring the terminal-mainframe' access pattern present since the 1970s up to the task of interfacing with modern web browser technologies. Both security (HTTPS/TLS/IPSec/VPNs/public key cryptography/digital signatures) and network protocol stacks (HTTP-REST APIs, tokens, gRPC, SRTP) have evolved to the point where implementing API-driven workflows is possible using stable, secure off-the-shelf software.

97 MATHEMATICS AND COMPUTING↗

Adaptable Standards for Discovery, Access, and Usability of Oak Ridge National Laboratory’s Data Portals and Catalogs

Oak Ridge National Laboratory (ORNL) is leveraging its established capabilities and subject matter expertise in data curation, governance, management, national security, and risk assessment and mitigation to support the US Department of Energy (DOE) Grid Modernization Initiative. Using standards modeled by the National Institute of Standards and Technology (NIST), the Data Curation Network (DCN), the Oak Ridge Leadership Computing Facility (OLCF), and other leading organizations in the fields of energy research, high-performance computing, and national and homeland security, ORNL seeks to provide a federated approach to research data discovery, use, and interoperability.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Feasibility and process scale-up low cost alumina fibers for advanced Re-usable Surface Insulation (RSI)

The objective of this program was to establish feasibility of a process to produce low cost aluminum oxide fibers having sufficient strength, flexibility, and thermal stability for multiple re-use at temperatures to 1480 C in advanced RSI type heat shields for reentry vehicles. Using bench-scale processing apparatus, the Alcoa 'Saphiber' process was successfully modified to produce nominally 8 microns diameter polycrystalline alpha-alumina fiber. Thermal stability was demonstrated in vacuum reheating tests to 1371 C and in atmospheric reheating to 1483 C. Individual fiber properties of strength, modulus, and flexibility were not determined because of friability and short length of the fiber. Rigidized tile produced from fiber of nominally 8, 20 and 40 micron diameter had thermal conductivities significantly higher than those of RSI SiO2 or mullite at relatively low temperature but became comparable above about 1000 C. Tile densities were high due to short fiber length, especially in the coarser diameter fiber. No significant effect of fiber diameter on thermal properties could be determined form the data. Mechanical properties of tiles deteriorated as fiber diameter increased.

Pearson, A.↗

Bearing seat usable in a gas turbine engine

A blade and mounting ring assembly is described which is adapted for rotation about a first axis including a series of blades mounted on said ring for rotation about a second axis and a series of bearing assemblies, each associated with one of said blades, an improved bearing seat is provided for seating the bearing assemblies.

Moreman, O. S., III↗

A computational scheme usable for calculating the plume backflow region

The effects of the nozzle wall boundary layer on the plume flowfield are neglected in the majority of computational schemes which exist for the calculation of rocket engine exhaust plume flowfields. This neglect, which is unimportant in many applications, becomes unacceptable for applications where a surface which can be adversely affected by plume impingement forces, heating, or contamination is located behind the nozzle exit plane in what is called the 'plume backflow region'. The flow in this region originates in, and is highly affected by, the nozzle wall boundary layer. The inclusion of the effects of the boundary layer in the calculations is required for an appropriate determination of the flowfield properties within this region. A description is presented of the results of modifications of a method-of-characteristics computer program. The modifications were made to include the effects of the nozzle wall boundary layer on the plume flowfield. A comparison of computed and experimental data indicates that the employed computer program may be a useful tool for calculating the entire plume flowfield for liquid propellant rocket engines.

Cooper, B. P., Jr.↗

A nozzle boundary layer model including the subsonic sublayer usable for determining boundary layer effects on plume flowfields

A model for the boundary layer at the exit plane of a rocket nozzle was developed which, unlike most previous models, includes the subsonic sublayer. The equations for the flow near the nozzle exit plane are presented and the method by which the subsonic sublayer transitions to supersonic flow in the plume is described. The resulting model describes the entire boundary layer and can be used to provide a startline for method-of-characteristics calculations of plume flowfields. The model was incorporated into a method of characteristics computer program and comparisons of computed results to experimental data show good agreement. The data used in the comparisons were obtained in tests in which mass fluxes from a 22.2-N (5 lbf) thrust engine were measured at angles off the nozzle centerline of up to 150 deg. Additional comparisons were made with data obtained during tests of a 0.89-N (0.2 lbr) monopropellant thruster and from the OH-64 space shuttle heating tests. The agreement with the data indicates that the model can be used for calculating plume backflow properties.

Cooper, B. P., Jr.↗

The US re-usable launch system - The Space Shuttle

The NASA Space Shuttle furnishes a range of readily available, and either already planned or yet-to-be-defined services, which already encompass satellite on-orbit servicing, refueling and repair, and satellite retrieval services. A gradual expansion will be made of services that capitalize on the presence of a large crew during commercial and scientific operations, while pursuing the development of automated, standardized procedures for the handling of experiments in order to reduce research costs.

Lee, C. M.↗

Design of a large-aperture lens antenna usable over a +/- 15 deg scanning sector

A lens antenna design is described which requires the formation of both on-axis and far off-axis beams. The aperture is about 100 wavelengths in diameter, and the off-axis beams are displaced +/- 20 beamwidths from the axis. The results are indicative of the much greater scan capabilities of lensatic antennas compared to paraboloidal designs when both have single-aperture nonarray feeds.

Parsons, Chester L.↗

User modeling techniques for enhanced usability of OPSMODEL operations simulation software

The PC based OPSMODEL operations software for modeling and simulation of space station crew activities supports engineering and cost analyses and operations planning. Using top-down modeling, the level of detail required in the data base can be limited to being commensurate with the results required of any particular analysis. To perform a simulation, a resource environment consisting of locations, crew definition, equipment, and consumables is first defined. Activities to be simulated are then defined as operations and scheduled as desired. These operations are defined within a 1000 level priority structure. The simulation on OPSMODEL, then, consists of the following: user defined, user scheduled operations executing within an environment of user defined resource and priority constraints. Techniques for prioritizing operations to realistically model a representative daily scenario of on-orbit space station crew activities are discussed. The large number of priority levels allows priorities to be assigned commensurate with the detail necessary for a given simulation. Several techniques for realistic modeling of day-to-day work carryover are also addressed.

Davis, William T.↗

IITA Cooperative Agreement Projects for Classroom Usability

Based on this review, the following conclusions are drawn regarding the 'school readiness' of the sites. All six of the sites had great appeal to the reviewers and therefore we can conclude that each has tremendous potential for use in the classroom. None, however, were given a completely 'school-ready' assessment. With recommended revisions, each site will be a valuable asset to the classroom teacher. For each as well, teachers particularly had problems with access or finding them, but once there, felt they all had some relevance. Many of the weaknesses noted related to lack of guidance for teachers with links to their curriculum or provision of activities. Other weaknesses related to the lack of educational purpose, however, this may be addressed in the development of strong teacher resources and guides linked to the sites. For those sites with a weak or without a teacher's guide, adding this component would be worth the expenditure of time and money needed.

Grabowski, Barbara↗

Determining Usability Versus Cost and Yields of a Regional Transport

Regional transports are designed to operate on air networks having the basic characteristics of short trip distances and low density passengers/cargo, i.e. small numbers of passengers per flight. Regional transports passenger capacity is from 10 to 100 seats and operate on routes from 350 to 1000 nautical miles (nm). In order to meet passenger requirements providing low fares and high or required number of frequencies, airlines must constantly monitor operational costs and keep them low. It is obvious that costs of operating aircraft must be lower than yield obtained by transporting passengers and cargo. The requirement to achieve favorable yield/cost ratio must provide the answer to the question of which aircraft will best meet a specific air network (Simpson, 1972). An air network is defined by the number of services, the trip distance of each service, and the number of flights (frequencies) per day and week.

Gvozdenovic, Slobodan↗