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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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DOE OSTI2024

Application of performance portability solutions for GPUs and many-core CPUs to track reconstruction kernels

Next generation High-Energy Physics (HEP) experiments are presented with significant computational challenges, both in terms of data volume and processing power. Using compute accelerators, such as GPUs, is one of the promising ways to provide the necessary computational power to meet the challenge. The current programming models for compute accelerators often involve using architecture-specific programming languages promoted by the hardware vendors and hence limit the set of platforms that the code can run on. Developing software with platform restrictions is especially unfeasible for HEP communities as it takes significant effort to convert typical HEP algorithms into ones that are efficient for compute accelerators. Multiple performance portability solutions have recently emerged and provide an alternative path for using compute accelerators, which allow the code to be executed on hardware from different vendors. We apply several portability solutions, such as Kokkos, SYCL, C++17 std::execution::par, Alpaka, and OpenMP/OpenACC, on two mini-apps extracted from the mkFit project: p2z and p2r. These apps include basic kernels for a Kalman filter track fit, such as propagation and update of track parameters, for detectors at a fixed z or fixed r position, respectively. The two mini-apps explore different memory layout formats. We report on the development experience with different portability solutions, as well as their performance on GPUs and many-core CPUs, measured as the throughput of the kernels from different GPU and CPU vendors such as NVIDIA, AMD and Intel.

Kwok, Ka Hei Martin↗

DOE OSTI2020

Modeling thin layers of analytes on substrates for spectral analysis: use of solid/liquid n and k values to model reflectance spectra

Since solids are only sometimes seen en masse in a pure bulk form, and for liquids other than water almost never, a capability to model reflectance spectra from analytes deposited on various substrates would be highly advantageous. If available, the real, n ( ν ) , and imaginary, k ( ν ) , components of the complex refractive index, n n + i k , can be used to simulate infrared spectra, accounting for reflection, refraction, and absorption phenomena as a function of wavelength. We focus on using the Pacific Northwest National Laboratory (PNNL) derived n / k vectors for solid and liquid analytes deposited as thin layers on different types of substrates including conductors, such as aluminum, and inorganic dielectrics, such as glass. The model is an adaptation of the Monte Carlo ray trace modeling program, TracePro, extended through the use of its macrolanguage. The model is tested using thin films of organic liquids including silicone oil and no. 2 diesel fuel, as well as organic solids such as caffeine and acetaminophen on aluminum and glass. The predicted spectra for the solid films were compared to experimental hemispherical reflectance data measured using a Fourier transform spectrometer with an integrating sphere. The thickness of the calculated layer is a parameter for predicting the (transflectance) spectra and is obtained using the areal density measured from gravimetric methods to generate the thin-layer samples. Comparison of the calculated spectra with experimental hemispherical reflectance data shows excellent agreement, indicating promise for the use of measured n / k data to synthesize reference spectral data. In particular, accounting for the inhomogeneity of the deposits greatly improved the match with experimental data. Finally, the theoretical modeling shows that for thicker layers (ca. 20 to 100 μm) of typical organics possessing moderately strong k values, the longwave infrared features are often saturated and better spectral contrast is obtained from the overtone/combination bands in the shortwave infrared.

42 ENGINEERING↗

DOE OSTI2024

Application of performance portability solutions for GPUs and many-core CPUs to track reconstruction kernels

Next generation High-Energy Physics (HEP) experiments are presented with significant computational challenges, both in terms of data volume and processing power. Using compute accelerators, such as GPUs, is one of the promising ways to provide the necessary computational power to meet the challenge. The current programming models for compute accelerators often involve using architecture-specific programming languages promoted by the hardware vendors and hence limit the set of platforms that the code can run on. Developing software with platform restrictions is especially unfeasible for HEP communities as it takes significant effort to convert typical HEP algorithms into ones that are efficient for compute accelerators. Multiple performance portability solutions have recently emerged and provide an alternative path for using compute accelerators, which allow the code to be executed on hardware from different vendors. We apply several portability solutions, such as Kokkos, SYCL, C++17 std::execution::par and Alpaka, on two mini-apps extracted from the mkFit project: p2z and p2r. These apps include basic kernels for a Kalman filter track fit, such as propagation and update of track parameters, for detectors at a fixed z or fixed r position, respectively. The two mini-apps explore different memory layout formats. We report on the development experience with different portability solutions, as well as their performance on GPUs and many-core CPUs, measured as the throughput of the kernels from different GPU and CPU vendors such as NVIDIA, AMD and Intel.

Kwok, Ka Martin↗

DOE OSTI2025

ChatHPC: Building the Foundations for a Productive and Trustworthy AI-Assisted HPC Ecosystem

ChatHPC democratizes large language models for the high-performance computing (HPC) community by providing the infrastructure, ecosystem, and knowledge needed to apply modern generative AI technologies to rapidly create specific capabilities for critical HPC components while using relatively modest computational resources. Our divide-and-conquer approach focuses on creating a collection of reliable, highly specialized, and optimized AI assistants for HPC based on the cost-effective and fast Code Llama fine-tuning processes and expert supervision. We target major components of the HPC software stack, including programming models, runtimes, I/O, tooling, and math libraries. Thanks to AI, ChatHPC provides a more productive HPC ecosystem by boosting important tasks related to portability, parallelization, optimization, scalability, and instrumentation, among others. With relatively small datasets (on the order of KB), the AI assistants, which are created in a few minutes by using one node with two NVIDIA H100 GPUs and the ChatHPC library, can create new capabilities with Meta’s 7-billion parameter Code Llama base model to produce high-quality software with a level of trustworthiness of up to 90% higher than the 1.8-trillion parameter OpenAI ChatGPT-4o model for critical programming tasks in the HPC software stack.

Young, Aaron [ORNL] (ORCID:0000000254484667)↗

DOE OSTI2025

Lowering and Runtime Support for Fortran’s Multi-Image Parallel Features using LLVM Flang, PRIF, and Caffeine

This paper provides an overview of the multi-image parallel features in Fortran 2023 and their implementation in the LLVM flang compiler and the Caffeine parallel runtime library. The features of interest support a Single-Program, Multiple-Data (SPMD) programming model based on executing multiple “images”, each of which is a program instance. The features also support a Partitioned Global Address Space (PGAS) in the form of “coarray” distributed data structures. The paper discusses the lowering of multi-image features to the Parallel Runtime Interface for Fortran (PRIF) and the implementation of PRIF in the Caffeine parallel runtime library. This paper also provides an early view into the design of a new multi-image dialect of the LLVM Multi-Level Intermediate Representation (MLIR). We describe validation and testing of the resulting software stack, and demonstrate that performance compares favorably to another open-source compiler and runtime library: GNU Compiler Collection (GCC) gfortran and OpenCoarrays, respectively.

Bonachea, Dan↗

DOE OSTI2021

Dynamic Ride-Matching for Large-Scale Transportation Systems

Efficient dynamic ride-matching (DRM) in large-scale transportation systems is a key driver in transport simulations to yield answers to challenging problems. Although the DRM problem is simple to solve, it quickly becomes a computationally challenging problem in large-scale transportation system simulations. Therefore, this study thoroughly examines the DRM problem dynamics and proposes an optimization-based solution framework to solve the problem efficiently. To benefit from parallel computing and reduce computational times, the problem’s network is divided into clusters utilizing a commonly used unsupervised machine learning algorithm along with a linear programming model. Then, these sub-problems are solved using another linear program to finalize the ride-matching. At the clustering level, the framework allows users adjusting cluster sizes to balance the trade-off between the computational time savings and the solution quality deviation. A case study in the Chicago Metropolitan Area, U.S., illustrates that the framework can reduce the average computational time by 58% at the cost of increasing the average pick up time by 26% compared with a system optimum, that is, non-clustered, approach. Another case study in a relatively small city, Bloomington, Illinois, U.S., shows that the framework provides quite similar results to the system-optimum approach in approximately 62% less computational time.

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRS1988

Engineering calculations for solving the orbital allotment problem

Four approaches for calculating downlink interferences for shaped-beam antennas are described. An investigation of alternative mixed-integer programming models for satellite synthesis is summarized. Plans for coordinating the various programs developed under this grant are outlined. Two procedures for ordering satellites to initialize the k-permutation algorithm are proposed. Results are presented for the k-permutation algorithms. Feasible solutions are found for 5 of the 6 problems considered. Finally, it is demonstrated that the k-permutation algorithm can be used to solve arc allotment problems.

Reilly, C.↗

NASA NTRS1994

Task network models in the prediction of workload imposed by extravehicular activities during the Hubble Space Telescope servicing mission

In a joint effort with Brooks AFB, Texas, the Flight Crew Support Division at JSC has begun a computer simulation and performance modeling program directed at establishing the predictive validity of software tools for modeling human performance during spaceflight. This paper addresses the utility of task network modeling for predicting the workload that astronauts are likely to encounter in extravehicular activities (EVA) during the Hubble Space Telescope (HST) repair mission. The intent of the study was to determine whether two EVA crewmembers and one intravehicular activity (IVA) crewmember could reasonably be expected to complete HST Wide Field/Planetary Camera (WFPC) replacement in the allotted time. Ultimately, examination of the points during HST servicing that may result in excessive workload will lead to recommendations to the HST Flight Systems and Servicing Project concerning (1) expectation of degraded performance, (2) the need to change task allocation across crewmembers, (3) the need to expand the timeline, and (4) the need to increase the number of EVA's.

Diaz, Manuel F.↗

NASA NTRS1979

Modeling and analysis of Power Processing Systems

The paper deals with a NASA-sponsored, computer-based program Modeling and Analysis of Power Processing Systems (MAPPS). Three major MAPPS subprograms, Design Optimization, Control Design, and Performance Analysis are considered. The program makes it possible to reduce the design, analysis, and development time, and thus the cost, in achieving the required performance for power processing equipment and systems.

Yu, Y.↗

NASA NTRS1989

AutoCAD-To-GIFTS Translator Program

AutoCAD-to-GIFTS translator program, ACTOG, developed to facilitate quick generation of small finite-element models using CASA/GIFTS finite-element modeling program. Reads geometric data of drawing from Data Exchange File (DXF) used in AutoCAD and other PC-based drafting programs. Geometric entities recognized by ACTOG include points, lines, arcs, solids, three-dimensional lines, and three-dimensional faces. From this information, ACTOG creates GIFTS SRC file, which then reads into GIFTS preprocessor BULKM or modified and reads into EDITM to create finite-element model. SRC file used as is or edited for any number of uses. Written in Microsoft Quick-Basic (Version 2.0).

Jones, Andrew↗

DOE OSTI2020

Grimsel Test Site - A Successful International Underground Research Laboratory for Many Decades - 20429

For more than 35 years, Nagra and its partners from around the world have been conducting underground research projects at the Grimsel Test Site (GTS, www.grimsel.com) to contribute to the development and confirmation of safe geological disposal concepts and for the characterization of suitable host rock formations. Over the years, the results of this internationally recognized research program have been, and continue to be, incorporated directly into exploration programs, modelling, safety, and engineering feasibility studies on options for deep geological repositories. Each project of the GTS program involves field-testing, laboratory studies, design and modelling tasks, and integrates all scientific and technical aspects. Each project phase is planned with a duration of three to five years to facilitate practical and administrative aspects and allow flexibility for updating the overall project plans with the latest findings. Scientific and engineering interaction among the different projects is ensured via an international steering committee meeting. Hosting an IAEA level C radiation- controlled zone, which allows use of radionuclides, including actinides such as thorium, uranium, neptunium, plutonium and americium, in in-situ experiments is one of the reasons why GTS also developed as a center of excellence for work with radioactive tracers under realistic in-situ boundary conditions. Last year, a new five-year program (2019 to 2023) started which includes projects with a planning horizon of decades. The new five-year program includes a new phase of in-situ experiments using radionuclides such as migration experiments in the Colloid Formation and Migration project (CFM), the Long-Term Diffusion experiment (LTD) and the newly established C-14 and I-129 Migration in cement project (CIM). The 'High Temperature effects on Bentonite' (HotBENT) project is starting in the current phase and is studying the effects of elevated temperatures (>175 deg. C) on bentonite materials. As a generic underground research laboratory (URL) it is expected that the GTS will provide in the coming years a platform for international collaboration, knowledge development and knowledge transfer for the next generation of scientists and engineers in the area of radioactive waste disposal and geosciences. A key role regarding knowledge transfer and training is provided by the well-established Grimsel Training Center (GTC), which (beside many URL related issues) also covers many general aspects of radioactive waste management. In this paper we provide an overview of the current program at the GTS, focusing on the experiments that study the migration of radionuclides through engineered barrier materials and the geosphere. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Geomagnetic Disturbance Uncertainty Quantification Modeling: An Electromagnetic Transient and Steady-State Simulation Based Approach

Geomagnetic disturbances have been shown to disrupt the operation of the bulk electrical system through low-frequency effects in the earth's magnetic field that in turn induce changing electrical fields on the earth's surface. As a result, geomagnetically induced currents flow in transmission lines, introducing the risk for widespread damage to high-voltage transformers and voltage collapse due to induced reactive power loss. In a previous paper, the authors showed how certain modeling assumptions can lead to results that are unacceptable in certain edge case scenarios. In this paper, the authors build on their previous results using modeling uncertainty quantification in order to compare the results from electromagnetic transient program modeling software, ATP, to the positive-sequence calculation software, PowerWorld.

Bretas, Arturo Suman↗

NASA NTRS1983

Combustion hot section technology

The overall objective of the Turbine Engine Hot Section Technology Combustion Project is to develop and verify improved and more accurate analysis methods for increasing the ability to design with confidence the combustion system for advanced aircraft turbine engines. The analysis methods developed will be generically applicable to combustion systems and not restricted to one specific engine or manufacturer. This project's approach was to first assess and evaluate existing combustor aerothermal analysis models by means of a contracted effort initiated during FY 1982. This evaluation effort has assessed and quantified known models' strengths and deficiencies. During FY 1984 the Aerothermal Modeling Program, Phase 2 will be initiated, which is expected to have contracted model development efforts in the areas of improved numerical methods for turbulent viscous flows, flow interactions, and fuel spray flow foekd interactions. A Phase 3 effort is planned to address remaining model deficiencies. The primary inhouse effort in this area will be the determination of high pressure flame radiation characteristics in a full annular combustor. This experiment will be conducted in the NASA LeRC High Pressure Facility with the results compiled into a comprehensive flame radiation and liner heat flux model.

Ercegovic, D. B.↗

NASA NTRS1986

Atmospheric, climatic and environmental research

Research conducted during the past year in the climate and atmospheric modeling programs was focused on the development of appropriate atmospheric and upper ocean models, and preliminary applications of these models. Prinicpal models are a one-dimensional radiative-convection model, a three-dimensional global climate model, and an upper ocean model. Principal application is the study of the impact of CO2, aerosols and the solar constant on climate. Also the performance of the International Satellite Cloud Climatology Project cloud detection algorithm was evaluated, concentrating initially on its application to geosynchronous data, with an eventual switch of the developed methodologies to data from polar orbiting satellites. In the process, a number of improvements were made, in particular: an improved technique for tracking small scale day to day variability in clear sky continental temperatures; a number of techniques for the statistical assessment of cloud detection uncertainties due to cloud types which are spatially and temporally invariant; and a method used to detect those cloudy regions which have long term spatial and temporal stability.

Broecker, W. S.↗

NASA NTRS1991

Estimating The Cost Of Developing Software

Software Cost Estimation Model program, SOFTCOST, developed to provide consistent automated resource-and-schedule mathematical model more formalized than guesswork model. Combines several software-cost models found in open literature into one comprehensive set of algorithms compensating for nearly 50 implementation factors relative to size of task, inherited baseline, organizational and system environment, and difficulty of task. Produces mean and variance estimates of software size, implementation productivity, recommended staff level, probable duration, amount of computer resources required, and amount and cost of software documentation. Written in Microsoft BASIC.

Tausworthe, Robert C.↗

NASA NTRS1991

Semiannual progress report, April - September 1991

Research conducted during the past year in the climate and modeling programs has concentrated on the development of appropriate atmospheric and upper ocean models, and preliminary applications of these models. Principal models are a one-dimensional radiative-convective model, a three dimensional global climate model, and an upper ocean model. Principal applications have been the study of the impact of CO2, aerosols, and the solar constant on climate. Progress was made in the 3-D model development towards physically realistic treatment of these processes. In particular, a map of soil classifications on 1 degree by 1 degree resolution has now been digitized, and soil properties have been assigned to each soil type. Using this information about soil properties, a method has been developed to simulate the hydraulic behavior of the soils of the world. This improved treatment of soil hydrology, together with the seasonally varying vegetation cover, will provide a more realistic study of the role of the terrestrial biota in climate change. A new version of the climate model was created which follows the isotopes of water and sources of water throughout the planet.

Source record↗

DOE OSTI2025

FY25 Report on Water NSTF Testing: Parametric and Accident Testing with Lower Tank Inlet

The Natural Convection Shutdown Heat Removal Test Facility (NSTF) at Argonne National Laboratory has continued to generate empirical validation data on the performance of water-based reactor cavity cooling system (RCCS) for seven years. This data is actively being used to support the development of passive decay heat removal systems for advanced reactors. Distinguishing this facility are 1) the large, ½ scale of the facility and 2) its governance under an NQA-1 qualified program for producing data of the highest pedigree for advanced reactor designers and regulators. In addition to the experimental activities discussed in this report, a computational modeling program continues to support the experimental program and further accuracy and understanding of the computational models. Together, the experimental and computational work create a mutually beneficial relationship integral to the overall program objective of advancing the understanding of the RCCS technology.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRSDate not supplied

Digital Lunar Exploration Sites (DLES)

After an almost 50-year absence, NASA along with a group of international and commercial partners will return humans to the surface of the Moon as part of the Artemis program. As with the preceding Apollo program, modeling and simulation (M&S) will be an enabling technology for achieving the Artemis mission objectives. Fortunately, M&S has advanced considerably in the past half century, permitting much more detailed and encompassing integrated representations of the Artemis systems. One modeling area of critical importance to simulating the Artemis elements and mission activities is the accurate and efficient modeling of the operational lunar environment. This is particularly challenging since the Artemis program is considering exploration sites in the area of the Lunar South Pole (LSP), far away from any previous surface exploration sites. Fortunately, we now have considerably more and better data from recent lunar sensing missions. A planetary science team and a human exploration simulation team at NASA’s Johnson Space Center are developing a suite of products called the Digital Lunar Exploration Sites (DLES). DLES is intended to provide some of the necessary lunar environmental data products. This paper describes the fundamental need for DLES, the science data sets that are going into DLES, some of the processes used to integrate this data into DLES products, the basic products that constitute DLES, and some examples of DLES in use.

DLES↗