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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 1,135 records · Page 63

Exploring strongly correlated quantum spin systems with quantum computers

At inception, quantum annealing leveraged quantum mechanics for classical optimization tasks. However, as machine coherence increases, the realization of quantum spin systems has emerged as an even more fruitful application of this computational model. Alternatives to the standard gate model deserve exploration, to achieve useful quantum advantage via analog quantum computing. The recent demonstration of so-called coherent quantum annealing with 1,000s of qubits, further expands the potential for this hardware to explore quantum system dynamics where the effects of quantum fluctuations can be carefully controlled and observed directly. Implementing existing celebrated spin models—or in fact new and dedicated ones—into quantum annealers will lead to observation and detection of quantum phenomena not yet observed, or not visualized directly, in experimental physics laboratories. Rather than computing or simulating quantum systems, these quantum computers allow one to simply build quantum systems, and experiment on them in an uniquely controlled way, with characterization down to the constitutive degree of freedom. This provides an unprecedented opportunity for understanding the physics of quantum spin systems. Keywords: Theoretical physics currently abounds of interesting theoretical spin models to explore frustration, strongly correlated spins, spin liquids, fractionalized excitations, and topological matter. However enticing, such models are generally only weak proxies for the properties of actual materials. In quantum annealers these models could be realized and experimented upon. Moreover, many more realistic models of such materials could be realized in quantum annealers. Employed in this way, quantum annealers provide an extraordinary versatile platform to explore quantum effects that are hard to find, detect, and characterize in natural materials.

36 MATERIALS SCIENCE↗

Computer architectures for computational physics work done by Computational Research and Technology Branch and Advanced Computational Concepts Group

Slides are reproduced that describe the importance of having high performance number crunching and graphics capability. They also indicate the types of research and development underway at Ames Research Center to ensure that, in the near term, Ames is a smart buyer and user, and in the long-term that Ames knows the best possible solutions for number crunching and graphics needs. The drivers for this research are real computational physics applications of interest to Ames and NASA. They are concerned with how to map the applications, and how to maximize the physics learned from the results of the calculations. The computer graphics activities are aimed at getting maximum information from the three-dimensional calculations by using the real time manipulation of three-dimensional data on the Silicon Graphics workstation. Work is underway on new algorithms that will permit the display of experimental results that are sparse and random, the same way that the dense and regular computed results are displayed.

Source record↗

Portable Computer

SPOC, a navigation monitoring computer used by NASA in a 1983 mission, was a modification of a commercial computer called GRiD Compass, produced by GRiD Systems Corporation. SPOC was chosen because of its small size, large storage capacity, and high processing speed. The principal modification required was a fan to cool the computer. SPOC automatically computes position, orbital paths, communication locations, etc. Some of the modifications were adapted for commercial applications. The computer is presently used in offices for conferences, for on-site development, and by the army as part of a field communications systems.

Source record↗

Evaluation of LLVM Flang for Production HPC Applications and Modern Fortran Features

In 2025, LLVM released its first Flang Fortran compiler version considered ready for widespread evaluation. We know of no published assessment of Flang compiling a workload- derived portfolio of high-performance computing (HPC) applications. We address this gap using workload data from the National Energy Research Scientific Computing Center (NERSC), which supports more than 10,000 scientists on approximately 1,000 projects. The NERSC workload analyses identify many Fortran components in heavily used applications. We selected 10 such packages with available source code. We compiled them with Flang 22.1.3 on NERSC’s Perlmutter system. Six compiled without code modifications, though some required build-system changes. Three compiled after minor source edits, mostly to address Fortran standard violations. One built only without OpenMP enabled. We evaluated seven additional packages selected for their use of, or enablement of, standard Fortran parallel features: multi-image execution and do concurrent. Six such codes compiled with most or all unit tests passing.

Rasmussen, Katherine↗

STAR - A computer language for hybrid AI applications

Constructing Artificial Intelligence application systems which rely on both symbolic and non-symbolic processing places heavy demands on the communication of data between dissimilar languages. This paper describes STAR (Simple Tool for Automated Reasoning), a computer language for the development of AI application systems which supports the transfer of data structures between a symbolic level and a non-symbolic level defined in languages such as FORTRAN, C and PASCAL. The organization of STAR is presented, followed by the description of an application involving STAR in the interpretation of airborne imaging spectrometer data.

Borchardt, G. C.↗

Computational fluid dynamics as a design tool for the hot gas manifold of the Space Shuttle Main Engine

The paper discusses the application of computational fluid dynamics as a design tool for the Hot Gas Manifold of the Space Shuttle Main Engine. An improved Hot Gas Manifold configuration was arrived at computationally. This configuration was then built and air flow tested. Testing verified this configuration to be a substantial improvement over existing flight designs.

Ziebarth, J. P.↗

Application Reuse Library for Software, Requirements, and Guidelines

Better designs are needed for expert systems and other operations automation software, for more reliable, usable and effective human support. A prototype computer-aided Application Reuse Library shows feasibility of supporting concurrent development and improvement of advanced software by users, analysts, software developers, and human-computer interaction experts. Such a library expedites development of quality software, by providing working, documented examples, which support understanding, modification and reuse of requirements as well as code. It explicitly documents and implicitly embodies design guidelines, standards and conventions. The Application Reuse Library provides application modules with Demo-and-Tester elements. Developers and users can evaluate applicability of a library module and test modifications, by running it interactively. Sub-modules provide application code and displays and controls. The library supports software modification and reuse, by providing alternative versions of application and display functionality. Information about human support and display requirements is provided, so that modifications will conform to guidelines. The library supports entry of new application modules from developers throughout an organization. Example library modules include a timer, some buttons and special fonts, and a real-time data interface program. The library prototype is implemented in the object-oriented G2 environment for developing real-time expert systems.

Malin, Jane T.↗

Understanding the use of message passing interface in exascale proxy applications

The Exascale Computing Project (ECP) focuses on the development of future exascale-capable applications. Most ECP applications use the message passing interface (MPI) as their parallel programming model with mini-apps serving as proxies. This paper explores the explicit usage of MPI in such ECP proxy applications. We empirically analyze 14 proxy applications from the ECP Proxy Apps Suite. We use the MPI profiling interface (PMPI) to collect MPI usage patterns in ECP proxy apps. Our analysis shows that a small subset of features from MPI is commonly used in the proxies of exascale-capable applications, even when they reference third-party libraries. Overall, this study is intended to provide a better understanding of the use of MPI in current exascale applications. The findings can help focus software investments made for exascale systems in the MPI middleware including optimization, fault-tolerance, tuning, and hardware-offload.

97 MATHEMATICS AND COMPUTING↗

High-Order Methods in NASA’s Next Generation of Computational Fluid Dynamics Tools

The missions of the National Aeronautics and Space Administration (NASA) routinely produce unique requirements and challenges for development and application of Computational Fluid Dynamics (CFD) methods. NASA presently embodies four distinct Mission Directorates: Aeronautics Research, Exploration Systems, Science, and Space Operations. These missions generate requirements for systems that operate in a wide variety of environments. They range from the high-speed flight of aerodynamically optimized vehicles operating in the earth’s atmosphere to spacecraft designed for missions that don’t favor aerodynamic optimization, some operating in the atmosphere of planets and planetary moons such as Mars and Venus or Saturn’s moon Titan. Systems supporting these vehicles, such as rocket and jet propulsion, reaction control systems, fluid and thermal transfer systems, etc. can also generate their own unique set of flow phenomena that challenge today’s CFD methodology. Through the NASA Engineering and Safety Center (NESC), NASA annually conducts state-of-the-discipline assessments in fifteen distinct engineering disciplines. These assessments are performed by the NASA Technical Fellows that lead Technical Discipline Teams (TDT) of recognized experts in these fifteen areas. In the Aerosciences discipline, three topics have been identified as the top challenges for the discipline: aero-plume interaction prediction, unsteady separated flows, and aerothermodynamic prediction. These challenge areas are defined by the Agency’s high-risk projects and problems on which the NESC is requested to perform independent testing, analysis, and assessments. When viewed as a whole, these tests, analyses, and assessments provide a clear view of the recurring technical challenges facing Agency engineers and researchers and can be used to guide future research and technology development. The present state-of-the-art in the application of CFD at NASA is the use of Reynolds-Averaged Navier- Stokes (RANS) solvers, primarily executed in a steady-state mode of operation. In isolated cases, Unsteady RANS (URANS) solvers have been employed when steady RANS solutions produce poorly converging or oscillating results or in cases, such as aeroelastic analysis, which require unsteady aerodynamic simulation. For most traditional external and internal aerodynamic flows, structured overset grids or unstructured grids are employed to minimize geometric modeling and grid generation times. Grid adaptation, primarily as a series of coarse-grain intermediate processing steps is also seeing use on particularly complex flow problems and configurations. In the case of aerothermodynamic flows, engineers have been forced to continue to employ structured grid techniques as the present unstructured grid methodology has proven inadequate in the prediction of surface heating. In the area of aero-plume interaction modeling, two-gas, frozen chemistry simulation is generally the state-of-the- art, with some production solvers capable of predicting flows with only a single gas component. Prediction of flows falling into the afore-mentioned top Aerosciences technical challenges have severely stressed the present state-of-the-art in CFD prediction and for some problems, such as unsteady separated flows and aero-plume interaction cases, engineers have begun employing Large Eddy Simulation (LES) and Hybrid RANS/LES techniques. In some isolated aero-propulsion interaction cases, chemically reacting flow simulations have been applied. These methods are highly evolutionary and engineers have little experience in their application, so they cannot be heavily relied upon in today’s application environment. Therefore, this leads one to muse over which numerical technologies will be included in the CFD tools that will be employed 30 years in the future. This presentation will describe specific technical problems that have stressed NASA’s traditional CFD methods to their breaking point and will link these issues to the Agency’s top Aerosciences technical challenges. The discussion will then shift to the characteristics of future CFD solvers that will be required to attack these challenges and how these characteristics differ from the present state-of-the- art. High-order methods certainly appear to have a place in the development of future CFD tools and some of the physical characteristics of our most challenging problems suggest that high-order methods are the only way to effectively solve them. But there are some relatively severe implementation issues that face these methods, particularly in the area of general applicability and robust operation as an engineering tool. Desired characteristics of next-generation CFD solvers will be discussed and the author’s view of which emerging numerical technologies might be employed to address these attributes will also be presented

David M Schuster↗

Variable boundary II heat conduction

Computer program for solving both transient and steady-state heat transfer problems is presented. Specific applications of computer program are described. Formulation for individual nodes of solid medium for heat balance is presented. Diffusion equation is solved for all nodes simultaneously at finite increments of time.

Gramer, J.↗

Establishing capabilities for quantum computing and simulations for energy applications

Quantum information science (QIS) is creating potential transformative opportunities to exploit intricate quantum mechanical phenomena in new ways for obtaining and processing information to advance many areas of science and engineering. Since the National Quantum Initiative Act was signed into law in 2018, developing QIS capability and competency is one of the most urgent tasks of DOE to make sure the US win the quantum race. The QIS contains four pillars: quantum computing, quantum simulations, quantum sensing, and quantum networking. To apply QIS in energy related applications, the key is to develop the capability of quantum computing & simulation tools. In this project, we propose to develop the capability of quantum computing and simulations at NETL to target fossil energy related problems. We will install a simulator (e. g. IBM qiskit) on the NETL supercomputer to simulate the environments of quantum computer. Based on the current available quantum algorithms for quantum chemistry, we will develop quantum computing codes to perform simulation which will focus on fossil energy sector challenges, including CO2 capture & conversion, sensing, and fuel conversion. We then will seek opportunities to run our codes on real quantum computers (such as IBM-Q, google Sycamore, etc.). Through this project, the new capability of quantum computing and simulations will be established at NETL. In addition, the NETL workforce in this area will be trained ready to conduct more complicated tasks in line with NETL missions to enhance the nation’s energy foundation.

97 MATHEMATICS AND COMPUTING↗

Using CAASCADE and CrayPAT for Analysis of HPC Applications

We describe our work on integrating CAASCADE with CrayPAT to obtain both static and dynamic information on characteristics of high-performance computing (HPC) applications. CAASCADE --- Compiler-Assisted Application Source Code Analysis and Database---is a system we are developing to extract features of application from its source code by utilizing compiler plugins. CrayPAT enable us to add runtime-based information to CAASCADE's feature detection. We present results from analysis of HPC applications.

Budiardja, Reuben↗

Wing-Body Aeroelasticity Using Finite-Difference Fluid/Finite-Element Structural Equations on Parallel Computers

In recent years significant advances have been made for parallel computers in both hardware and software. Now parallel computers have become viable tools in computational mechanics. Many application codes developed on conventional computers have been modified to benefit from parallel computers. Significant speedups in some areas have been achieved by parallel computations. For single-discipline use of both fluid dynamics and structural dynamics, computations have been made on wing-body configurations using parallel computers. However, only a limited amount of work has been completed in combining these two disciplines for multidisciplinary applications. The prime reason is the increased level of complication associated with a multidisciplinary approach. In this work, procedures to compute aeroelasticity on parallel computers using direct coupling of fluid and structural equations will be investigated for wing-body configurations. The parallel computer selected for computations is an Intel iPSC/860 computer which is a distributed-memory, multiple-instruction, multiple data (MIMD) computer with 128 processors. In this study, the computational efficiency issues of parallel integration of both fluid and structural equations will be investigated in detail. The fluid and structural domains will be modeled using finite-difference and finite-element approaches, respectively. Results from the parallel computer will be compared with those from the conventional computers using a single processor. This study will provide an efficient computational tool for the aeroelastic analysis of wing-body structures on MIMD type parallel computers.

Byun, Chansup↗

Computed Flows In A Transonic Turbine

Report presents computational study of flow in first stage of three alternative versions of proposed transonic turbine. Study demonstrates application of computational fluid dynamics to predict performance and analyze effects of changes in designs of these advanced machines.

Rangwalla, A. A.↗

Verification and Validation of CFD Simulations involving Twin Rectangular Jets using Steady RANS in Star-CCM+

Analyses such as component design and safety analysis can be conducted through careful application of computational fluid dynamics (CFD) codes. Before these codes can be considered ready for specific analysis, benchmarking (validation) against applicable datasets is needed. The twin jet water facility (TJWF) developed originally at the University of Tennessee, Knoxville has been purposed for aiding in this type of work. The TJWF allows for large data sets to be created using state of the art non-invasive measurement techniques within a mostly transparent testing volume. Utilizing velocity data collected in the TJWF by Wang et. al., the Star-CCM+ code was benchmarked a using steady Reynolds averaged Navier Stokes (RANS) framework for a combining two jet case. Careful efforts to properly conduct verification of the numerical work was undertaken with a sample reported in this summary. The computational results were validated against the experimental work and found to be within acceptable limits. The parameters of interest were the merging and combining points (MP and CP) of the twin jets, and the velocity profiles at increasing heights after injection. Fig.1 provides a graphical depiction of the twin jets combining within a free shear volume with key geometric factors included. The MP and velocity profiles were predicted with reasonable agreement. Whereas, the combining point of the twin jets was found to be over-predicted by {approx}24% difference. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Verifying quantitative reliability for programs that execute on unreliable hardware

Emerging high-performance architectures are expected to contain unreliable components that may exhibit soft errors, which silently corrupt the results of computations. Full detection and masking of soft errors is challenging, expensive, and, for some applications, unnecessary. For example, approximate computing applications (such as multimedia processing, machine learning, and big data analytics) can often naturally tolerate soft errors. We introduce Rely, a programming language that enables developers to reason about the quantitative reliability of an application—namely, the probability that it produces the correct result when executed on unreliable hardware. Rely allows developers to specify the reliability requirements for each value that a function produces. We perform a static quantitative reliability analysis that verifies quantitative requirements on the reliability of an application, enabling a developer to perform sound and verified reliability engineering. The analysis takes a Rely program with a reliability specification and a hardware specification that characterizes the reliability of the underlying hardware components and verifies that the program satisfies its reliability specification when executed on the underlying unreliable hardware platform. We demonstrate the application of quantitative reliability analysis on six computations implemented in Rely.

97 MATHEMATICS AND COMPUTING↗