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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 289 records · Page 16

Programs For Modeling Fault-Tolerant Computing Systems

Pade Approximation with Scaling, (PAWS) and Scaling Taylor Exponential Matrix (STEM) computer programs are software tools for design and validation. Provide flexible, user-friendly, language-based interface for input of Markov mathematical methods describing behaviors of fault-tolerant computer systems. Markov models include both recovery from faults via reconfiguration and behaviors of such systems when faults occur. PAWS and STEM produce exact solutions of probability of system failure and provide conservative estimate of number of significant digits in solution. Written in PASCAL and FORTRAN.

Butler, Ricky W.↗

ECP ST Project 2.3.1.06-STPM08-RAJA (Final Report)

Modern high-performance computing architectures are diverse, with hardware designs that feature multicore CPUs and CPUs plus accelerators, such as GPUs or FPGAs. Achieving good application performance often requires using a programming model and managing application data in ways that are best suited to a particular platform. For large codes that are used daily in production, and are under continual development, architecture-specific ports are untenable. Maintainability requires single-source code that is performance portable across a range of architectures and programming model back-ends. This report describes RAJA, Umpire, and CHAI, three software libraries that provide complementary capabilities to enable application portability for high performance computing (HPC) platforms. In particular, these libraries provide software abstractions that insulate application source code from hardware architecture and programming model-specific implementation details. These development of these libraries was motivated by the needs of multiphysics applications in the Weapons Simulation and Computing Program (WSC) at Lawrence Livermore National Laboratory (LLNL). Funding though the Exascale Computing Project (ECP) Software Technology (ST) project 2.3.1.06 RAJA has fostered outreach and collaboration with the ECP application and software technology development communities. In this report, we describe ECP adoption and integration of these tools to this point. The larger goal of the report is to describe to the ECP community what these projects offer, how they are used, and how to approach adoption and integration of them.

97 MATHEMATICS AND COMPUTING↗

FPChecker

CUDA is the programming model used to program NVIDIA GPUs, which are widely used in DOE supercomputers. FPChecker allows programmers to detect and fix hidden exceptions in the floating-point computations that CUDA executes. When a floating-point exception occurs (e.g., division by zero), GPUs cannot catch these errors. FPChecker intercepts each floating-point operations (addition, subtraction, multiplication and division) and reports to users where exceptions occur (file and line of code).

Laguna Peralta, Ignacio↗

Earth Source Heat: A Cascaded Systems Approach to DDU of Geothermal Energy on the Cornell Campus

This report documents the completion of the DOE study DE-EE0008103: Earth Source Heat: A Cascaded Systems Approach to DDU of Geothermal Energy on the Cornell Campus. This study involved a comprehensive evaluation of the potential for Earth Source Heat (ESH), Cornell’s specific application of Deep Direct Use (DDU) geothermal energy, to create a viable renewable source of thermal energy for its Ithaca, NY campus district heating system. The study included stochastic modeling that married each of two potential subsurface resources (two specific geological reservoirs) to documented campus heating operations based on hourly campus heating profiles and proposed integrated equipment controls (variable speed pumps and heat pumps). The outputs of the subsurface modeling were used as inputs for a Cornell-developed surface heat use Excel-based modeling program (the program was named “Modeled ENergy Use”, or “MEnU”). This allowed Cornell to compute realistic annual totals of extractable and useable heat for the campus, including details like heat losses, minimum summer demand, and controllable building temperature settings. The Cornell team then evaluated the costs and benefits of each modeled scenario. The primary evaluation was a standard “single bottom line” economic calculation for the Levelized Cost of Heat (LCOH). This represents the annualized cost (per unit heat) for Cornell. Additional valuations were also computed based on the benefit to the environment and to the regional economy (i.e., economic benefits external to campus). The results of this study demonstrate that if suitable reservoir flow can be attained, Earth Source Heat would be a viable technology to supply Cornell’s district heating system. This viability is based on the following criteria: (1) The modeled system produced a total useable heat output that exceeded the minimum annual campus heat load determined at the onset of the project (i.e., offsetting at least 20% of the annual campus thermal load). The output range is substantial depending on both the subsurface resource and the surface applications; at the high end, our modeled solutions produced up to ~70% of existing campus heat load with a single well pair producing 70 kg/s with integrated high-temperature heat pumps, and (2) Modeling demonstrated that multiple geothermal reservoirs could provide economically viable results when heat pumps were strategically integrated, a design that has been proven in at least one European installation already. In this context, “economically viable” means that the LCOH for the project is less than the regional commercial price of heat that would be generated using natural gas (the most common and cheapest fossil alternative in our area). Based on a single-bottom-line (LCOH) valuation, our results show that economic success is likely for any reservoir deeper than about 2.25 km where a sufficient permeability exists (or can be created with stimulation or similar engineering enhancement) and reasonable production temperatures sustained over time. The LCOH values of $\$ 4.77$ to $\$ 6.46$ per MMBtu are all lower than the comparable cost of providing heat energy with a natural gas boiler for a facility in the Northeast U.S. that obtains natural gas at commercial rates (Commercial heat costs would include at least $\$ 9.41$ in fuel costs, representing total boiler/transfer efficiency of 85% using gas at $\$ 8.00$ per MMBtu; LCOH would be higher if capital equipment and other operating costs were included). In addition to LCOH, Cornell’s scope also included evaluation of the Environmental value and Regional Economic value of each scenario. When considering the environmental and regional economic value of such a project, the overall “triple bottom line” cost (i.e., the LCOH less the LCOH ENV and LCOH REG values) is even lower and in some cases negative; i.e., in some cases a project achieving the listed performance would have higher value to the environment and to the regional economy than the total project costs over the 30-year project timeframe.

15 GEOTHERMAL ENERGY↗

Airborne antenna pattern calculations

Use of calculation program START and modeling program P 3D to produce radiation patterns of antennas mounted on a space station is discussed. Basic components of two space stations in the early design stage are simulated and radiation patterns for antennas mounted on the modules are presented.

Bagherian, A. B.↗

Development of a Phasor Diagram Creator to Visualize the Piston and Displacer Forces in an Advanced Stirling Convertor

The steady state, nearly sinusoidal behavior of the components in a Free Piston Stirling Engine allows for visualization of the forces in the system using phasor diagrams. Based on Newton's second law, F=ma, any phasor diagrams modeling a given component in a system should close if all of the acting forces have been considered. Since the Advanced Stirling Radioisotope Generator (ASRG), currently being developed for future NASA deep space missions, is made up of such nearly sinusoidally oscillating components, its phasor diagrams would also be expected to close. A graphical user interface (GUI) has been written in MATLAB by taking user input data, passing it to Sage, a 1-D thermodynamic modeling program used to model the Stirling convertor, running Sage and then automatically plotting the phasor diagrams. Using this software tool, the effect of varying different Sage inputs on the phasor diagrams was determined. The parameters varied were piston amplitude, hot end temperature, cold end temperature, operating frequency, and displacer spring constant. By using these phasor diagrams, better insight can be gained as to why the convertor operates the way that it does.

Saha, Dipanjan↗

Development of a Phasor Diagram Creator to Visualize the Piston and Displacer Forces in an Advanced Stirling Convertor

The steady-state, nearly sinusoidal behavior of the components in a free-piston Stirling engine allows for visualization of the forces in the system using phasor diagrams. Based on Newton's second law, F = ma, any phasor diagrams modeling a given component in a system should close if all of the acting forces have been considered. Since the Advanced Stirling Radioisotope Generator (ASRG), currently being developed for future NASA deep space missions, is made up of such nearly sinusoidally oscillating components, its phasor diagrams would also be expected to close. A graphical user interface (GUI) has been written in MATLAB (MathWorks), which takes user input data, passes it to Sage (Gedeon Associates), a one-dimensional thermodynamic modeling program used to model the Stirling convertor, runs Sage, and then automatically plots the phasor diagrams. Using this software tool, the effect of varying different Sage inputs on the phasor diagrams was determined. The parameters varied were piston amplitude, hot-end temperature, cold-end temperature, operating frequency, and displacer spring constant. These phasor diagrams offer useful insight into convertor operation and performance.

Saha, Dipanjan↗

A Framework for the Analysis of Compiler Optimizations

Compilers transform program source code to machine executable code. During this transformation, they perform a number of compiler optimizations to improve the performance of the generated executable code. Importantly, applying those optimizations depends on the source code structure, such as the parallel programming model used to parallelize an algorithm. Often, implementations of the same algorithm with different programming models have vastly different performance because the compiler optimized them differently. We create FAROS, a framework to structure and automate the analysis of compiler optimizations on programs. FAROS automates the building process, execution profiling, and analysis of compiler optimization of programs, through a configuration interface. It outputs compiler optimization reports to show which optimizations applied to which line of source code, leveraging compilation remarks output by the compiler. Also, FAROS supports benchmarking performance of different program versions by collecting execution time results. In this first release of FAROS, we provide a configuration file to analyze compiler optimization differences for sequential vs OpenMP compilation, including 38 programs consisting of HPC proxy/mini/large applications, and NAS and Rodina kernels for analysis.

Georgakoudis, Giorgis↗

A computer program for modeling non-spherical eclipsing binary star systems

The accurate analysis of eclipsing binary light curves is fundamental to obtaining information on the physical properties of stars. The model described accounts for the important geometric and photometric distortions such as rotational and tidal distortion, gravity brightening, and reflection effect. This permits a more accurate analysis of interacting eclipsing star systems. The model is designed to be useful to anyone with moderate computing resources. The programs, written in FORTRAN 4 for the IBM 360, consume about 80k bytes of core. The FORTRAN program listings are provided, and the computational aspects are described in some detail.

Wood, D. B.↗

Mathematical programming formulations for satellite synthesis

The problem of satellite synthesis can be described as optimally allotting locations and sometimes frequencies and polarizations, to communication satellites so that interference from unwanted satellite signals does not exceed a specified threshold. In this report, mathematical programming models and optimization methods are used to solve satellite synthesis problems. A nonlinear programming formulation which is solved using Zoutendijk's method and a gradient search method is described. Nine mixed integer programming models are considered. Results of computer runs with these nine models and five geographically compatible scenarios are presented and evaluated. A heuristic solution procedure is also used to solve two of the models studied. Heuristic solutions to three large synthesis problems are presented. The results of our analysis show that the heuristic performs very well, both in terms of solution quality and solution time, on the two models to which it was applied. It is concluded that the heuristic procedure is the best of the methods considered for solving satellite synthesis problems.

Bhasin, Puneet↗

Burner liner thermal/structural load modeling: TRANCITS program user's manual

Transfer Analysis Code to Interface Thermal/Structural Problems (TRANCITS) is discussed. The TRANCITS code satisfies all the objectives for transferring thermal data between heat transfer and structural models of combustor liners and it can be used as a generic thermal translator between heat transfer and stress models of any component, regardless of the geometry. The TRANCITS can accurately and efficiently convert the temperature distributions predicted by the heat transfer programs to those required by the stress codes. It can be used for both linear and nonlinear structural codes and can produce nodal temperatures, elemental centroid temperatures, or elemental Gauss point temperatures. The thermal output of both the MARC and SINDA heat transfer codes can be interfaced directly with TRANCITS, and it will automatically produce stress model codes formatted for NASTRAN and MARC. Any thermal program and structural program can be interfaced by using the neutral input and output forms supported by TRANCITS.

Maffeo, R.↗

The addition of algebraic turbulence modeling to program LAURA

The Langley Aerothermodynamic Upwind Relaxation Algorithm (LAURA) is modified to allow the calculation of turbulent flows. This is accomplished using the Cebeci-Smith and Baldwin-Lomax eddy-viscosity models in conjunction with the thin-layer Navier-Stokes options of the program. Turbulent calculations can be performed for both perfect-gas and equilibrium flows. However, a requirement of the models is that the flow be attached. It is seen that for slender bodies, adequate resolution of the boundary-layer gradients may require more cells in the normal direction than a laminar solution, even when grid stretching is employed. Results for axisymmetric and three-dimensional flows are presented. Comparison with experimental data and other numerical results reveal generally good agreement, except in the regions of detached flow.

Cheatwood, F. Mcneil↗

Exascale Programming Approaches for Accelerated Climate Modeling for Energy

The Accelerated Climate Modeling for Energy (ACME) program is a leading-edge climate and Earth system model designed to address the U.S. Department of Energy (DOE) mission needs. The ACME project involves collaboration between seven National Laboratories, the National Center for Atmospheric Research, four academic institutions, and one private-sector company. The ACME project funds ongoing efforts to ensure the model continues to make efficient use of DOE Leadership Computing Facilities (LCFs) in order to best address the three driving grand challenge science questions:Water cycle: How will more realistic portrayals of features important to the water cycle (resolution, clouds, aerosols, snowpack, river routing, land use) affect river flow and associated freshwater supplies at the watershed scale?Cryosphere systems: Could a dynamical instability in the Antarctic ice sheet be triggered within the next 40 years?Biogeochemistry: What are the contributions and feedbacks from natural and managed systems to current greenhouse gas fluxes, and how will those factors and associated fluxes evolve in the future?

Norman, Matthew↗

Experimental apparatus and methodology to test and quantify thermal performance of micro and macro-encapsulated phase change materials in building envelope applications

Thermal energy storage (TES) is used as a viable technology to shift peak electricity demand caused by the space cooling requirements in buildings. Passive TES is implemented in building envelope via micro and macroencapsulation methods. This study describes the use of a state-of-the-art laboratory to test different PCM inclusions in simplified building walls. A microencapsulated PCM and two macroencapsulated PCMs are tested in a controlled environment to gather data for validation purposes of PCM modelling algorithms in building energy modelling programs. Data indicates that the chamber environment and the heating and cooling system can conduct full-cycle tests of wall panels with PCM inclusions. This study also generates data from parallel tests on 4 wall panels which can be used in building energy modelling programs to validate the PCM modelling algorithms. The cyclic tests also capture the thermal effects of PCMs and complex PCM behaviors like sub-cooling in PCM hydrate-salts.

25 ENERGY STORAGE↗

Enhancing ChatPORT with CUDA-to-SYCL Kernel Translation Capability

Large Language Models (LLMs) have shown strong capabilities in general code translation. However, code translation involving parallel programming models remains largely unexplored. This work enhances the capabilities of code LLMs in CUDA-to-SYCL kernel translation with parameter-efficient fine-tuning. The resultant fine-tuned LLM, called ChatPORT, is an effort to provide high-fidelity translations from one programming model to another. We describe the preparation of datasets from heterogeneous computing benchmarks for model fine-tuning and testing, the parameter-efficient fine-tuning of 19 open-source code models ranging in size from 0.5 to 34 billion parameters and evaluate the correctness rates of the SYCL kernels by the fine-tuned models. The experimental results show that most code models fail to translate CUDA codes to SYCL correctly. However, fine-tuning these models using a small set of CUDA and SYCL kernels can enhance the capabilities of these models in kernel translation. Depending on the sizes of the models, the correctness rate ranges from 19.9% to 81.7% for a test dataset of 62 CUDA kernels.

Jin, Zheming [ORNL] (ORCID:000000027197780X)↗

Unified Language Frontend for Physic-Informed AI/ML

Artificial intelligence and machine learning (AI/ML) are becoming important tools for scientific modeling and simulation as in several other fields such as image analysis and natural language processing. ML techniques can leverage the computing power available in modern systems and reduce the human effort needed to configure experiments, interpret and visualize results, draw conclusions from huge quantities of raw data, and build surrogates for physics based models. Domain scientists in fields like fluid dynamics, microelectronics and chemistry can automate many of their most difficult and repetitive tasks or improve the design times by use of the faster ML-surrogates. However, modern ML and traditional scientific highperformance computing (HPC) tend to use completely different software ecosystems. While ML frameworks like PyTorch and TensorFlow provide Python APIs, most HPC applications and libraries are written in C++. Direct interoperability between the two languages is possible but is tedious and error-prone. In this work, we show that a compiler-based approach can bridge the gap between ML frameworks and scientific software with less developer effort and better efficiency. We use the MLIR (multi-level intermediate representation) ecosystem to compile a pre-trained convolutional neural network (CNN) in PyTorch to freestanding C++ source code in the Kokkos programming model. Kokkos is a programming model widely used in HPC to write portable, shared-memory parallel code that can natively target a variety of CPU and GPU architectures. Our compiler-generated source code can be directly integrated into any Kokkosbased application with no dependencies on Python or cross-language interfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Molten Salt Reactor Campaign Modeling and Simulation Program Plan

The modeling and simulation activities within the Molten Salt Reactor Research and Development Campaign of the US Department of Energy Office of Nuclear Energy Advanced Reactor Technologies Program facilitate the development and application of analysis tools for the licensing and design of molten salt reactors.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Thermal modelling of an AMTEC recirculating cell

A modeling program was developed to determine the impact of various design parameters on the operation of an AMTEC system. Temperature profiles generated by the modeling program were compared to actual experimental data to verify the model accuracy. The model was then extended to predict the impact of device design on operational performance. The effect of heat loss from the liquid sodium supply end was studied for this paper.

Suitor, J. W.↗