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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

LLM Benchmarking with LLaMA2: Evaluating Code Development Performance Across Multiple Programming Languages

The rapid evolution of large language models (LLMs) has opened new possibilities for automating various tasks in software development. This paper evaluates the capabilities of the LLaMA 2-70B model in automating these tasks for scientific applications written in commonly used programming languages. Using representative test problems, we assess the model's capacity to generate code, documentation, and unit tests, as well as its ability to translate existing code between commonly used programming languages. Our comprehensive analysis evaluates the compilation, runtime behavior, and correctness of the generated and translated code. Additionally, we assess the quality of automatically generated code, documentation, and unit tests. Here, our results indicate that while LLaMA 2-70B frequently generates syntactically correct and functional code for simpler numerical tasks, it encounters substantial difficulties with more complex, parallelized, or distributed computations, requiring considerable manual corrections. We identify key limitations and suggest areas for future improvements to better leverage AI-driven automation in scientific computing workflows.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Performance Results on CPU/GPU Exascale Architectures for OMEGA: The Ocean Model for E3SM Global Applications

The US Department of Energy (DOE) conducts climate simulations on some of the world’s largest supercomputers. These exascale machines use heterogeneous architectures with both CPUs and GPUs, and scientific codes must adapt to make full use of this computing power. Los Alamos National Lab is developing Omega: The Ocean Model for E3SM Global Applications, which is specifically designed for modern exascale computers. It uses external libraries that have been optimized for a variety of architectures to run on different supercomputers. Omega is an unstructured-mesh ocean model based on TRiSK numerical methods. It will be the new ocean component of the DOE’s Energy Exascale Earth System Model (E3SM). The algorithms in Omega follow those of the current ocean component, MPAS-Ocean, but it will be written in C++ rather than Fortran to take advantage of the Kokkos performance portability library. Omega spatial operators are written as Kokkos kernels to run efficiently on both CPUs and GPUs. Work on Omega began in 2023 with a new C++ framework for unstructured mesh partitioning, halo exchanges, parallel IO, and Kokkos interfaces. The current version, Omega-0, is being developed to solve the shallow water equations and at present includes all of the tendency terms but not time stepping. Here we share the results of Omega-0 verification and performance testing. Verification includes unit tests implemented with CTest as well as convergence tests in Polaris, an in-house python package with a large suite of test problems. Performance tests compare simulations conducted on CPUs versus GPUs and across different architectures: tests are run on Frontier, which has AMD “Optimized 3rd Gen EPYC” CPUs and AMD MI250X GPUs, as well as Perlmutter, which is composed of AMD EPYC 7763 CPUs and NVIDIA A100 GPUs.

58 GEOSCIENCES↗
DOE OSTI2022

DMTN-190: Consistent galaxy colors with Gaussian-Aperture and PSF photometry

Gaussian-Aperture and PSF photometry algorithm measures consistent colors for extended sources such as galaxies that are largely independent of seeing. This technote briefly presents the mathematical description of the algorithm and focuses on its implementation in the Rubin Science Pipelines. This document also serves as a reference for several of the analytical calculations that are tested in the unit tests.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Closure Report for Corrective Action Unit 572: Test Cell C Ancillary Building and Structures, Nevada National Security Site, Nevada, Revision 0

The purpose of this CR is to provide documentation supporting the completed corrective actions and data confirming that the closure objectives for CAU 572 were met. To achieve this, the following actions were performed: • Corrective action investigation (CAI) activities were performed from August 2020 through May 2023, as set forth in the SAFER Plan for CAU 572; and in accordance with the Soils Activity Quality Assurance Plan, which establishes requirements, technical planning, and general quality practices. • Corrective actions were completed during decontamination and demolition (D&D) and disposal activities, and were performed from August 2022 through September 2025.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Effects of Accident Thermal Loading on In-Plane Shear Behavior of Steel-Plate Composite Walls

Structural walls in safety-related nuclear facilities are required to be designed for seismic and accident thermal (due to postulated high-energy pipe break events) loading combination. Current U.S. and international codes provide limited guidance for analysis and design of walls for this loading combination. This paper describes the experimental results and observations from tests conducted on a laboratory-scale (1:4 to 1:5) test unit representing steel-plate composite (SC) walls subjected to combined in-plane (seismic) and accident thermal loading. The test unit was subjected to surface temperatures of up to 450°F in combination with cyclic in-plane loading. Results of similar experiments recently conducted in Japan are also summarized (with surface temperatures up to 570°F). Surface heating combined with the low thermal conductivity and high specific heat of concrete resulted in nonlinear thermal gradients through the thickness of the specimens. These nonlinear thermal gradients and the associated self- or internal restraint led to extensive concrete cracking. This concrete cracking reduced the initial and secant stiffness of the specimens. The initial stiffness of the heated specimens reduced to 30 to 40% of the initial stiffness of the control (unheated) specimen. The secant stiffness of the heated specimens reduced up to 50% of the secant stiffness of the control (unheated) specimen. However, the in-plane shear strength of the heated SC specimens was still approximately 10 to 30% greater than the nominal in-plane shear strength calculated, for the limit state of steel plate von Mises yielding, using AISC N690 equations and measured material properties. Evaluation of the experimental results and observations suggests that the in-plane shear strength of SC walls subjected to typical accident surface temperatures (up to 570°F) can be estimated conservatively using the current provisions of AISC N690. The stiffness for accident thermal loading combinations can be considered to reduce from cracked composite stiffness at ambient temperature to fully cracked—that is, steel-only stiffness as the surface temperature increases up to typical accident value.

Construction & Building Technology↗
DOE OSTI2025

Portable Software Environment for Ultrahigh-Resolution ELM Development on GPUs

This paper presents our endeavors in developing the large-scale, ultra-high-resolution E3SM Land Model (uELM), specifically designed for exascale computers furnished with accelerators such as Nvidia GPUs. The uELM is a sophisticated code that substantially relies on High-Performance Computing (HPC) environments, necessitating particular machine and software configurations. To facilitate community-based uELM developments employing GPUs, we have created a portable, standalone software environment preconfigured with uELM input datasets, simulation cases, and source code. This environment, utilizing Docker, encompasses all essential code, libraries, and system software for uELM development on GPUs. It also features a functional unit test framework and an offline model testbed for comprehensive numerical experiments. From a technical perspective, the paper discusses GPU-ready container generations, uELM code management, and input data distribution across computational platforms. Lastly, the paper demonstrates the use of environment for functional unit testing, end-to-end simulation on CPUs and GPUs, and collaborative code development.

E3SM Land Model↗
DOE OSTI2017

Thermocouple Errors when Mounted on Cylindrical Surfaces in Abnormal Thermal Environments.

Mineral-insulated, metal-sheathed, Type-K thermocouples are used to measure the temperature of various items in high-temperature environments, often exceeding 1000degC (1273 K). The thermocouple wires (chromel and alumel) are protected from the harsh environments by an Inconel sheath and magnesium oxide (MgO) insulation. The sheath and insulation are required for reliable measurements. Due to the sheath and MgO insulation, the temperature registered by the thermocouple is not the temperature of the surface of interest. In some cases, the error incurred is large enough to be of concern because these data are used for model validation, and thus the uncertainties of the data need to be well documented. This report documents the error using 0.062" and 0.040" diameter Inconel sheathed, Type-K thermocouples mounted on cylindrical surfaces (inside of a shroud, outside and inside of a mock test unit). After an initial transient, the thermocouple bias errors typically range only about +-1-2% of the reading in K. After all of the uncertainty sources have been included, the total uncertainty to 95% confidence, for shroud or test unit TCs in abnormal thermal environments, is about +-2% of the reading in K, lower than the +-3% typically used for flat shrouds. Recommendations are provided in Section 6 to facilitate interpretation and use of the results. .

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Design of an experimental facility with a unit cell test section for studies of the lower plenum in prismatic high temperature gas reactors

A proposed design for a Generation IV reactor is the very-high temperature reactor (VHTR), which employs helium as the primary coolant. Although many advantages exist with this design, a number of challenges remain. One such area of concern is the turbulent mixing of non-isothermal flows in the lower plenum, where an array of coolant jets collectively mix and traverse around a series of structural support posts before exiting the core. Neighboring jets in the lower plenum could experience temperature differences as high as 300–400 K, causing potential hot streaking in the support posts. Additional problems could occur further downstream if the level of non-uniformity in the temperatures is too high (e.g, inducing thermal stresses on gas turbine blades). Therefore, it is important that adequate tools exist to predict the turbulent mixing within the VHTR lower plenum. This task remains difficult to achieve due to the complex geometry and flow physics that dictate the mixing. Various modeling approaches can only be assessed using data acquired from a carefully designed experimental facility. This paper presents details of such a facility, where high-fidelity measurements can be acquired for a scaled portion of the lower plenum defined herein as a ‘‘unit cell”, which consists of a hexagonal array of jets whose flow is directed into a test section with support posts positioned between neighboring jets, and subjected to a crossflow. Through adjusting velocity and temperature conditions at the jet inlets, different locations within the lower plenum can be experimentally simulated. System response quantities (SRQs) include both temperature and velocity measurements, captured via multiple thermocouples embedded in each post, and particle image velocimetry (PIV), respectively. These SRQs provide assessment metrics for both the momentum and energy models present in current computational solvers, and therefore the experimental facility is a valuable source for validation data. Another benefit is a more comprehensive understanding of the thermal-hydraulic loading conditions and flow physics present in the VHTR lower plenum.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Chemical Looping Coal Gasification Sub-Pilot Unit Demonstration and Economic Assessment for IGCC applications (Final Report)

The Ohio State University (OSU) coal to syngas (CTS) technology is an advanced air separation process that can be applied for electricity production via an integrated gasification combined cycle (IGCC). The objective of the proposed project is to enable the OSU CLG technology for a commercially relevant demonstration by 2020. In order to accomplish this objective, small pilot scale demonstration of the CLG reactor system was performed. The small pilot test unit incorporates commercially scalable non-mechanical gas sealing and solids flow control components for extended operations of the integrated reactor system. A cumulative demonstration of greater than 100 hours was performed to confirm the reliability of the reactors (reducer and oxidizer) and non-mechanical devices in maintaining controlled solid circulation, gas sealing, and coal distribution in the reactor (reducer) as well as to confirm sustained syngas product performance. A comprehensive techno-economic analysis (TEA) of the OSU CLG process for IGCC application was conducted with the support of WorleyParsons, Ltd. (WP) and compared to the Department of Energy (DOE) baseline IGCC report. Using the data gained from the small pilot demonstration, a complete comprehensive techno-economic analysis (TEA) of the CLG process was conducted. The evaluation was used as basis to attract utilities and coal industries in Ohio. The project duration lasts 30 months (6 months of no cost extension). Ohio coal was used in the integrated CLG small pilot unit to convert to high hydrogen syngas. A demonstration of the integrated chemical looping reactor system at the 15 kW th scale accelerates technology commercialization in the near term. The 15 kWth demonstration addressed several major technology gaps, such as coal injection and distribution in the reducer, controllable solids circulation with the desired fuel to solids ratio, system pressure distribution for proper gas sealing, effects of contaminants and fuel/oxygen carrier residence time requirements. The fates of impurities, such as SO x and NO x was also investigated in unit demonstrations. WP conducted a comprehensive system TEA to optimize the OSU CLG process design for efficient electricity generation with greater than 90% CO 2 capture in IGCC applications. The conclusion of this project supports the further scale-up of the technology to a commercially applicable large pilot scale test unit for operation by 2020. More importantly, it benefits Ohio as it provides an economically competitive mean for power generation with carbon capture. Given the rise of natural gas usage and strict environmental regulations, the use of Ohio coal is expected to decrease and thus impact the coal economy in Ohio. The conclusion of this project provided way for Ohio coal to compete in the future and secure jobs in the energy sector.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2024

Julienne v1.0.0

Julienne is a compiler-portable unit-testing framework for Fortran software projects, including those that use the parallel/accelerator-programming features of Fortran 2023. Julienne achieves portability across compilers through minimalism and isolation. The minimal design ensures that Julienne uses only features supported by the majority of Fortran compilers. The isolation through zero dependencies ensures that no other projects block Julienne from building with a particular compiler. Julienne also contains with additional services that support its unit-testing code. These include functions for manipulating strings, command lines and input/output format strings; and a user-defined collective subroutine for verifying that all processes pass a test in parallel testing. Julienne's name derives from the term for vegetables sliced into thin strings: julienne vegetables. Julienne captures the authors' most frequently used thin slice of the Veggies and Sourcery software repositories while avoiding certain compiler limitations of the those two packages.

Rouson, Damian↗
DOE OSTI2018

Advanced Control Architecture and Sensor Information Development for Process Automation, Optimization, and Imaging of Chemical Looping Systems

The Syngas Chemical Looping (SCL) process developed at The Ohio State University (OSU) uses an iron-based oxygen carrier to convert syngas into high-purity hydrogen while simultaneously capturing carbon dioxide that is readily sequestrable. A 25 kWth sub-pilot unit was successfully demonstrated multiple times on the OSU Clean Coal Research Facility, and a 250 kWth – 3 MWth pilot demonstration unit has been designed and constructed at the National Carbon Capture Center (NCCC) in Wilsonville, Alabama. The focus of this project is to develop multiple technologies to automate the startup and shutdown of chemical looping system. Success of this project will propel the advanced carbon capture method toward commercialization, hence be disruptive to the fossil fuel and power industries. Advanced process automation control architecture and imaging and optimization sensor software were developed for OSU chemical looping process. A high-level controller (HLC) consisting of decision-making and controller-selection logic integrated with sliding mode controllers (SMCs) were developed to perform chemical looping process startup and shutdown. Babcock & Wilcox Power Generation Group’s FocalPoint Optimization System was implemented to optimize the process operating conditions. The process automation controller and optimization information were realized and tested on OSU’s existing sub-pilot chemical looping test unit under atmospheric condition. The implemented control architecture was able to perform the complete process procedure from startup, steady-state reaction operation to shutdown with minimal operator intervention. The controller was also implemented on the pressurized syngas chemical looping (SCL) pilot test unit constructed at the National Carbon Capture Center (NCCC), demonstrating its pressure control capability with a designed transient state trajectory. An electrical capacitance volume tomography (ECVT) sensor device and its software were developed to image the packed moving bed and slugging fluidized bed of oxygen carriers in chemical looping systems at elevated temperatures. The ECVT device constructed was capable of tracking the subtle voidage variance along the moving bed axis as a feature for directly measuring the oxygen carrier particles’ linear velocity. Also, the high temperature ECVT device was used to study the fluidization characteristics of Geldart Group D particles.

08 HYDROGEN↗
DOE OSTI2013

SICS: A Sensor-Based In-Line Control System for the Surfaces of Continuously Cast Slabs

The goal of this project was to develop and demonstrate a SICS test unit that meet the need of the steel industry for enhancing the continuous casting process for improved surface quality for the targeted benefits and that is composed of an In-line Imaging Module and a Hybrid Predictive Control Module. The In-line Imaging Module provides the real-time or near real-time Product Information to the Hybrid Predictive Control Module. The latter is able to fuse the Product Information with the Process Information. In order to support the goal, this project had the technical objectives for indexes such as inspection accuracy and in-line service life, based on the inspection coverage of the entire cast slab. The deployment of the SICS systems has the potential to provide benefits in reduction of energy waste, CO 2 emission, waste water amount, toxic waste, and so forth. It will help to uphold the competitiveness of the industry that employs approximately 150,000 people nationwide and consumes about 3% of the energy in the country. The Phase II project has been carried out in accordance to the proposed tasks and budget, based on the original and extended schedule. The R&D team designed and implemented the test unit for the full width coverage, installed the unit in a caster. The development work further included enhanced image processing, in-depth defect study and process control models. The function, operation, and maintenance of the SICS was thoroughly studied during the Phase II research. The experience indicates additional hardware and procedures are required to make the SICS a commercially ready product in operation and maintenance aspect. Such developments have been finished and the team is contacting potential customers for the first commercial installation of SICS. Additionally, OGT is exploring the possibility to team up with a US company that specializes in surface cleaning for slabs/blooms/billets such that the in-line surface inspection can be integrated with in-line surface clean up for the maximum benefit to the steel industry.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Processing Aleatory and Epistemic Uncertainties in Experimental Data From Sparse Replicate Tests of Stochastic Systems for Real-Space Model Validation

This paper presents a practical methodology for propagating and processing uncertainties associated with random measurement and estimation errors (that vary from test-to-test) and systematic measurement and estimation errors (uncertain but similar from test-to-test) in inputs and outputs of replicate tests to characterize response variability of stochastically varying test units. Also treated are test condition control variability from test-to-test and sampling uncertainty due to limited numbers of replicate tests. These aleatory variabilities and epistemic uncertainties result in uncertainty on computed statistics of output response quantities. The methodology was developed in the context of processing experimental data for “real-space” (RS) model validation comparisons against model-predicted statistics and uncertainty thereof. The methodology is flexible and sufficient for many types of experimental and data uncertainty, offering the most extensive data uncertainty quantification (UQ) treatment of any model validation method the authors are aware of. It handles both interval and probabilistic uncertainty descriptions and can be performed with relatively little computational cost through use of simple and effective dimension- and order-adaptive polynomial response surfaces in a Monte Carlo (MC) uncertainty propagation approach. A key feature of the progressively upgraded response surfaces is that they enable estimation of propagation error contributed by the surrogate model. Sensitivity analysis of the relative contributions of the various uncertainty sources to the total uncertainty of statistical estimates is also presented. Finally, the methodologies are demonstrated on real experimental validation data involving all the mentioned sources and types of error and uncertainty in five replicate tests of pressure vessels heated and pressurized to failure. Simple spreadsheet procedures are used for all processing operations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Who watches the watchers?: preventing fault in a fault tolerance library

The Scalable Checkpoint/Restart library (SCR) was developed and is used by researchers at Lawrence Livermore National Laboratory to provide a fast and efficient method of saving and recovering large applications during runtime on high-performance computing (HPC) systems. Though SCR protects other programs, up until June 2017, nothing was actively protecting SCR. The goal of this project was to automate the building and testing of this library on the varying HPC architectures on which it is used. Our methods centered around the use of a continuous integration tool called Bamboo that allowed for automation agents to be installed on the HPC systems themselves. These agents provided a way for us to establish a new and unique way to automate and customize the allocation of resources and running of tests with CMake’s unit testing framework, CTest, as well as integration testing scripts though an HPC package manager called Spack. These methods provided a parallel environment in which to test the more complex features of SCR. As a result, SCR is now automatically built and tested on several HPC architectures any time changes are made by developers to the library’s source code. The results of these tests are then communicated back to the developers for immediate feedback, allowing them to fix functionality of SCR that may have broken. Hours of developers’ time are now being saved from the tedious process of manually testing and debugging, which saves money and allows the SCR project team to focus their efforts towards development. Thus, HPC system users can use SCR in conjunction with their own applications to efficiently and effectively checkpoint and restart as needed with the assurance that SCR itself is functioning properly.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Validation of Methodology to Simulate Gamma Doses from Historical Weapons Tests

The United States tested nuclear weapons in the atmosphere (aboveground) from 1945 until 1963, when the nation became a signatory to the Partial Test Ban Treaty. During those tests, gamma doses were often measured within kilometers of the point of detonation. Additional gamma dose measurements were made in and around the location of any personnel conducting the test, possibly with personal dosimeters. These gamma dose measurements have been declassified to provide the personnel involved with an estimate of the total dose they received while involved with the aboveground testing program. Several years ago, interest in these gamma doses was renewed by organizations that would need to provide the public with dose estimates in the event of a radiological or nuclear weapon terrorist attack on the United States. This work provides an initial validation of the computational methods used to simulate dose from a radiological or nuclear weapon. This initial work will focus on dose from gamma rays. The sources of gamma rays from a nuclear weapon include prompt fission gammas, gammas generated via neutron interactions (capture, inelastic scattering, and activation), and gammas produced by the decay of fission products. All of these gamma ray sources for a nuclear weapon are also potential sources of gammas from a radiological weapon. However, the sources of gamma rays from a radiological weapon depend on the material present in the device, and prompt fission gammas will mostly come from spontaneous fission instead of induced fission. This paper focuses on validation using gamma ray dose measurements from nuclear detonations, which is adequate to validate the requisite transport methodologies, source term generation, and cross sections needed to model gamma doses delivered by most radiological weapons. The 1961 report on Operation Plumbbob provides an overview of how the total gamma dose delivered by a nuclear weapon is broken down by the different sources specified above. The prompt fission gamma rays contribute about 5% of the total gamma dose. The gamma rays produced by neutron interactions usually deliver the largest portion of the total gamma dose, which is typically between 55% and 85% of the total. The remainder of the total gamma ray dose is attributed to decay of fission products.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2013

Evaluation of a Combined Cyclone and Gas Filtration System for Particulate Removal in the Gasification Process

The Wabash gasification facility, owned and operated by sgSolutions LLC, is one of the largest single train solid fuel gasification facilities in the world capable of transforming 2,000 tons per day of petroleum coke or 2,600 tons per day of bituminous coal into synthetic gas for electrical power generation. The Wabash plant utilizes Phillips66 proprietary E-Gas™ Gasification Process to convert solid fuels such as petroleum coke or coal into synthetic gas that is fed to a combined cycle combustion turbine power generation facility. During plant startup in 1995, reliability issues were realized in the gas filtration portion of the gasification process. To address these issues, a slipstream test unit was constructed at the Wabash facility to test various filter designs, materials and process conditions for potential reliability improvement. The char filtration slipstream unit provided a way of testing new materials, maintenance procedures, and process changes without the risk of stopping commercial production in the facility. It also greatly reduced maintenance expenditures associated with full scale testing in the commercial plant. This char filtration slipstream unit was installed with assistance from the United States Department of Energy (built under DOE Contract No. DE-FC26-97FT34158) and began initial testing in November of 1997. It has proven to be extremely beneficial in the advancement of the E-Gas™ char removal technology by accurately predicting filter behavior and potential failure mechanisms that would occur in the commercial process. After completing four (4) years of testing various filter types and configurations on numerous gasification feed stocks, a decision was made to investigate the economic and reliability effects of using a particulate removal gas cyclone upstream of the current gas filtration unit. A paper study had indicated that there was a real potential to lower both installed capital and operating costs by implementing a char cyclone-filtration hybrid unit in the E-Gas™ gasification process. These reductions would help to keep the E-Gas™ technology competitive among other coal-fired power generation technologies. The Wabash combined cyclone and gas filtration slipstream test program was developed to provide design information, equipment specification and process control parameters of a hybrid cyclone and candle filter particulate removal system in the E-Gas™ gasification process that would provide the optimum performance and reliability for future commercial use. The test program objectives were as follows: 1. Evaluate the use of various cyclone materials of construction; 2. Establish the optimal cyclone efficiency that provides stable long term gas filter operation; 3. Determine the particle size distribution of the char separated by both the cyclone and candle filters. This will provide insight into cyclone efficiency and potential future plant design; 4. Determine the optimum filter media size requirements for the cyclone-filtration hybrid unit; 5. Determine the appropriate char transfer rates for both the cyclone and filtration portions of the hybrid unit; 6. Develop operating procedures for the cyclone-filtration hybrid unit; and, 7. Compare the installed capital cost of a scaled-up commercial cyclone-filtration hybrid unit to the current gas filtration design without a cyclone unit, such as currently exists at the Wabash facility.

01 COAL, LIGNITE, AND PEAT↗