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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Static characterization of a highly optimized streak tube design incorporating a steering slot anode and an aberration-corrected Einzel lens

The BHx streak tube, under development at the Laboratory for Laser Energetics, incorporates a series of novel electron-optics elements to enable high fidelity measurements for high-energy-density physics experiments. The system is engineered to support a 25-mm active photocathode region compatible with sub-picosecond temporal resolution and with 70% internal photoelectron throughput. It exhibits negligible geometric distortion on a flat output screen, making it well suited for variety of measurements, such as ultrafast x-ray spectroscopy. Here, this paper presents characterization data from a prototype unit tested with an ultraviolet laser in a static deflection (non-swept) mode and shows good agreement with the predictions from numerical modeling, including focusing performance and geometric distortion measurements. Key design elements have been demonstrated and de-risked, laying the foundation for dynamic deflection testing. The anticipated improvements in data fidelity are expected to impact the fields as diverse as inertial confinement fusion, laboratory astrophysics, and materials science.

High energy density physics↗
DOE OSTI2020

pnnl/OpenCGRA

OpenCGRA is an open-source framework for modeling, testing, and evaluating CGRAs. The first open-source integrated framework able to support the full top-to-bottom design flow for specializing and implementing CGRAs: modeling at different abstraction levels (functional level, cycle level, register-transfer level) with compiler support, verification at different granularities (unit testing, integration testing, property-based testing), simulation, generation of synthesizable Verilog, and characterization (area, power, and timing).

Cheng, Tan↗
DOE OSTI2019

Carbon Capture utilizing Hybrids: Membrane and Liquefaction

Air Liquide is developing a next generation polyimide membrane material (PI-2) for application in our cold membrane hybrid process for CO 2 capture. Combining the PI-2 membrane operation with an integrated CO 2 compression and purification unit significantly reduces the overall cost of CO 2 capture. The current work is aimed at developing the PI-2 material to a commercial scale, then validating its performance under real flue gas conditions. Previous work showed promising results for the cold membrane hybrid process utilizing the commercially available Air Liquide PI-1 membrane bundles. The cold membrane technology was demonstrated at the National Carbon Capture Center (NCCC) with a 0.3 MWe field-test unit incorporating 12” diameter PI-1 commercial bundle. The cost of 90% CO 2 capture from a 550 MWe net coal power plant was estimated to be between 40 and $45/tonne. The novel PI-2 membrane was tested at a smaller scale (1” modules) and exhibited up to 10 times the CO 2 permeance and similar CO 2 /N 2 selectivity as the PI-1 membrane. This corresponds to a potential cost reduction of $3/tonne for CO 2 capture. The current project seeks to develop this next generation PI-2 material to a technology readiness level of 5 via manufacturing scale-up and testing with 600 - 1,000 Nm3/h of real flue gas, 0.2 - 0.3 MWe equivalents. 6” diameter commercial membrane bundles have been fabricated and tested at NCCC. These bundles met the project success criteria with a productivity of over 640 Nm3/hr and permeate purity in excess of 60%, at 90% CO 2 recovery. An advanced bundle formation technique, which further lowers the bundle cost and CO 2 capture cost, is also being developed under the scope of this project. Further manufacturing scale-up is underway to verify the technique. A final techno-economic analysis (TEA) for a 550 MWe net power plant has been initiated.

Hasse, Dave↗
DOE OSTI2016

Infrastructure for Multiphysics Software Integration in High Performance Computing-Aided Science and Engineering

The project described in this report constructed and exercised an innovative multiphysics coupling toolkit called the Illinois Rocstar MultiPhysics Application Coupling Toolkit (IMPACT). IMPACT is an open source, flexible, natively parallel infrastructure for coupling multiple uniphysics simulation codes into multiphysics computational systems. IMPACT works with codes written in several high-performance-computing (HPC) programming languages, and is designed from the beginning for HPC multiphysics code development. It is designed to be minimally invasive to the individual physics codes being integrated, and has few requirements on those physics codes for integration. The goal of IMPACT is to provide the support needed to enable coupling existing tools together in unique and innovative ways to produce powerful new multiphysics technologies without extensive modification and rewrite of the physics packages being integrated. There are three major outcomes from this project: 1) construction, testing, application, and open-source release of the IMPACT infrastructure, 2) production of example open-source multiphysics tools using IMPACT, and 3) identification and engagement of interested organizations in the tools and applications resulting from the project. This last outcome represents the incipient development of a user community and application echosystem being built using IMPACT. Multiphysics coupling standardization can only come from organizations working together to define needs and processes that span the space of necessary multiphysics outcomes, which Illinois Rocstar plans to continue driving toward. The IMPACT system, including source code, documentation, and test problems are all now available through the public gitHUB.org system to anyone interested in multiphysics code coupling. Many of the basic documents explaining use and architecture of IMPACT are also attached as appendices to this document. Online HTML documentation is available through the gitHUB site. There are over 100 unit tests provided that run through the Illinois Rocstar Application Development (IRAD) lightweight testing infrastructure that is also supplied along with IMPACT. The package as a whole provides an excellent base for developing high-quality multiphysics applications using modern software development practices. To facilitate understanding how to utilize IMPACT effectively, two multiphysics systems have been developed and are available open-source through gitHUB. The simpler of the two systems, named ElmerFoamFSI in the repository, is a multiphysics, fluid-structure-interaction (FSI) coupling of the solid mechanics package Elmer with a fluid dynamics module from OpenFOAM. This coupling illustrates how to combine software packages that are unrelated by either author or architecture and combine them into a robust, parallel multiphysics system. A more complex multiphysics tool is the Illinois Rocstar Rocstar Multiphysics code that was rebuilt during the project around IMPACT. Rocstar Multiphysics was already an HPC multiphysics tool, but now that it has been rearchitected around IMPACT, it can be readily expanded to capture new and different physics in the future. In fact, during this project, the Elmer and OpenFOAM tools were also coupled into Rocstar Multiphysics and demonstrated. The full Rocstar Multiphysics codebase is also available on gitHUB, and licensed for any organization to use as they wish. Finally, the new IMPACT product is already being used in several multiphysics code coupling projects for the Air Force, NASA and the Missile Defense Agency, and initial work on expansion of the IMPACT-enabled Rocstar Multiphysics has begun in support of a commercial company. These initiatives promise to expand the interest and reach of IMPACT and Rocstar Multiphysics, ultimately leading to the envisioned standardization and consortium of users that was one of the goals of this project.

42 ENGINEERING↗
DOE OSTI2023

Community Geothermal: Final Thermal Conductivity Test Report and Data Logs - Carbondale, CO

Provided here are a final thermal conductivity test report, a drilling log, and a heat rejection log from Carbondale, CO. Also attached is a report made before drilling, which contains predictions on the hydrogeologic conditions of the drill site. The forty-eight (48.9) hour in-situ thermal conductivity test was performed on the 28th through the 30th, of November 2023. The test was performed at the borehole drilled on November 16th through the 20th, at the 3rd Street Center at 520 S. 3rd, Street in Carbondale, Colorado. Testing was done with a certified Ewbank portable test unit.

15 GEOTHERMAL ENERGY↗
DOE OSTI2026

KBKit: A Python Toolkit for Kirkwood–Buff Theory from Molecular Dynamics

Thermodynamic properties of liquid mixtures govern processes that range from drug delivery to energy storage, yet extracting these properties from molecular simulations remains challenging. Kirkwood–Buff (KB) theory offers a rigorous route by linking microscopic pair distribution functions to macroscopic free energies, but practical use of the theory has been hindered by two obstacles: (i) the long simulations needed to obtain well-converged Kirkwood-Buff integrals (KBIs) and (ii) the specialized corrections required to translate finite-size data to the thermodynamic limit. $\texttt{KBKit}$ is an open-source Python package that removes these barriers. It automatically computes KBIs and derived thermodynamic quantities from GROMACS input files, applies state-of-the-art finite-size corrections, and provides built-in diagnostic tools to quantify statistical uncertainty. Written with modern software-engineering practices—continuous integration, extensive unit testing, and thorough documentation—$\texttt{KBKit}$ is both reliable and easy to extend. By condensing complex KBI analysis into a few intuitive commands, $\texttt{KBKit}$ enables researchers to incorporate KB theory into routine simulation workflows and accelerate the discovery of solution-phase thermodynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Experiences with SYCL on AMD GPUs with Kokkos

With the recent diversification of the hardware landscape in the high-performance computing (HPC) community, performance-portability solutions are becoming more and more important. One of the most popular choices is Kokkos, which recently became a Linux Foundation project. Most of its development is supported by the US Department of Energy and the French Alternative Energies and Atomic Energy Commission. Kokkos is implemented as a C++ library with multiple backends to support CPUs as well as various GPU architectures. These backends include OpenMP, CUDA, HIP, and also SCYL. This approach enables users to leverage the preferred vendor toolchain for the respective platform (e.g. CUDA, ROCm, OneAPI). The SYCL backend is used to target Intel GPUs, in particular to support the Aurora exascale supercomputer. However, SYCL itself also offers a large degree of portability, and in fact Kokkos’ CI for SYCL has been running on NVIDIA hardware due to a lack of access to Intel GPUs. In this report, we describe our experience with using Kokkos SYCL backend on AMD GPUs targeting the Frontier supercomputer at Oak Ridge National Laboratory. The two major SYCL implementations are DPC++ and AdaptiveCpp. While the Kokkos SYCL backend has been implemented using the former, the latter was the first implementation to target AMD GPUs. We will discuss the experience with both of these SYCL implementations in terms of functionality and performance. Using Kokkos to evaluate SYCL toolchains has a number of benefits. Kokkos’ use of SYCL is fairly complex, exercising features such as graphs, relocatable device functions, atomics – including for non-arithmetic types, as well as pinned and page migratable memory allocations. Kokkos also needs to implement capabilities such as Kokkos’ hierarchical parallelism that are not a straight-forward mapping to SYCL capabilities. Furthermore, a large number of libraries and applications that represent diverse use cases are implemented in Kokkos, providing readily available test cases for a toolchain evaluation. Preliminary results show that support for AMD GPUs in DPC++ is much less mature than for NVIDIA GPUs or Intel GPUs. While the situation has improved significantly over the last year, we still encounter many runtime failures, dispatching problems, and code generation issues. With AdaptiveCpp the challenges arise even earlier in the evaluation process. Since Kokkos’ SYCL implementation is largely focused on supporting Intel GPUs, we opted to leverage SYCL extensions which are available in DPC++ but not in AdaptiveCpp. Furthermore, AdaptiveCpp appears to be less conformant with the SYCL2020 standard which Kokkos relies on. In some cases, we are able to work around the lack of feature support, in other cases we have to disable certain Kokkos capabilities to evaluate the toolchain. Our evaluation will leverage Kokkos’ unit tests to establish basic functionality and feature completeness. We then use simple benchmarks for components of a CG implementation as a measure of usability and performance of the SYCL toolchains.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

ExactPack Documentation

For code verification, one compares the code output against known exact solutions. There are many standard test problems used in this capacity, such as the Noh and Sedov problems. ExactPack is a utility that integrates many of these exact solution codes into a common API (application program interface), and can be used as a stand-alone code or as a python package. ExactPack consists of python driver scripts that access a library of exact solutions written in Fortran or Python. The spatial profiles of the relevant physical quantities, such as the density, fluid velocity, sound speed, or internal energy, are returned at a time specified by the user. The solution profiles can be viewed and examined by a command line interface or a graphical user interface, and a number of analysis tools and unit tests are also provided. We have documented the physics of each problem in the solution library, and provided complete documentation on how to extend the library to include additional exact solutions. ExactPack’s code architecture makes it easy to extend the solution-code library to include additional exact solutions in a robust, reliable, and maintainable manner.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

High Temperature Syngas Cleanup Technology Scale-up and Demonstration Project

Gasification is a technology for clean energy conversion of diverse feedstocks into a wide variety of useful products such as chemicals, fertilizers, fuels, electric power, and hydrogen. Existing technologies can be employed to clean the syngas from gasification processes to meet the demands of such applications, but they are expensive to build and operate and consume a significant fraction of overall parasitic energy requirements, thus lowering overall process efficiency. RTI International has developed a warm syngas desulfurization process (WDP) utilizing a transport-bed reactor design and a proprietary attrition-resistant, high-capacity solid sorbent with excellent performance replicated at lab, bench, and pilot scales. Results indicated that WDP technology can improve both efficiency and cost of gasification plants. The WDP technology achieved ~99.9% removal of total sulfur (as either H 2 S or COS) from coal-derived syngas at temperatures as high as 600°C and over a wide range of pressures (20-80 bar, pressure independent performance) and sulfur concentrations. Based on the success of these tests, RTI negotiated a cooperative agreement with the U.S. Department of Energy for precommercial testing of this technology at Tampa Electric Company’s Polk Power Station IGCC facility in Tampa, Florida. The project scope also included a sweet water-gas-shift process for hydrogen enrichment and an activated amine process for 90+% total carbon capture. Because the activated amine process provides some additional non-selective sulfur removal, the integration of these processes was expected to reduce overall sulfur in the syngas to sub-ppmv concentrations, suitable for most syngas applications. The overall objective of this project was to mitigate the technical risks associated with the scale up and integration of the WDP and carbon dioxide capture technologies, enabling subsequent commercial-scale demonstration. The warm syngas cleanup pre-commercial test unit was designed and constructed on schedule and under budget and was operated for approximately 1,500 total hours utilizing ~20% of the IGCC’s total syngas as feed (~1.5 MM scfh of dry syngas). The WDP system reduced total sulfur levels to ~10 ppmv (~99.9% removal) from raw syngas that contained as high as 14,000 ppmv of total sulfur. The integration of WDP with the activated amine process enabled further reduction of total sulfur in the final treated syngas to the anticipated sub-ppmv concentrations (>99.99% removal), suitable for stringent syngas applications such as chemicals, fertilizers, and fuels. Techno-economic assessments by RTI and by third parties indicate potential for significant (up to 50%) capital and operating cost reductions for the entire syngas cleanup block when WDP technology is integrated with a broad spectrum of conventional and emerging carbon capture or acid gas removal technologies. This final scientific/technical report covers the pre-FEED, FEED, EPC, commissioning, and operation phases of this project, as well as system performance results. In addition, the report addresses other parallel-funded R&D efforts focused on development and testing of trace contaminant removal process (TCRP) sorbents, a direct sulfur recovery process (DSRP), and a novel sorbent for warm carbon dioxide capture, as well as pre-FEED, FEED, and techno-economic studies to consider the potential benefit for use of WDP for polygeneration of electric power and ammonia/urea fertilizers.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2016

High Temperature Sealants and Gaskets in Nuclear Applications

Lawrence Livermore National Laboratory (LLNL) has been conducting research to develop and deploy advances in ceramic filter technology to benefit nuclear facilities. There is a need for better materials for High Efficiency Particulate Air (HEPA) filters, especially those able to withstand moisture and higher temperatures as experienced in fire conditions. One of the next steps in this process is the improvement of the system sealants and gaskets. The LLNL team has reached out to the University of Texas at El Paso (UTEP) for assistance with the task of identifying potential materials as well as conducting experiments utilizing the testing units developed by LLNL's collaboration with California Polytechnic State University (Cal Poly). Current commercial filters use fluid seals and urethane gasket seals. Although these seals are sufficient for the minimum requirements of existing nuclear facilities, they will not be sufficient as improvements in ceramic filters and pre-filters reach their full potential. Currently, HEPA filters can only survive up to 1000 deg. F (exhaust air) and 500 deg. F (supply air) for less than 2 hours. Our research at the University of Texas at El Paso reviewed hundreds of sealant and gasket materials to identify improved sealants and gaskets that can be used in existing filters as well as ceramic HEPA filters and pre-filters. Results of the research will be supplied to support the relevant code, American Society of Mechanical Engineers (ASME) AG-1, in particular Section FO. (authors)

42 ENGINEERING↗
DOE OSTI2016

FY16 Status of Immersion Phased Array Ultrasonic Probe Development and Performance Demonstration Results for Under Sodium Viewing

This section of the Joint summary technical letter report (TLR) describes work conducted at the Pacific Northwest National Laboratory (PNNL) during FY 2016 (FY16) on the under-sodium viewing (USV) PNNL project 58745, work package AT-16PN230102. This section of the TLR satisfies PNNL’s M3AT-16PN2301025 milestone and is focused on summarizing the design, development, and evaluation of two different phased-array ultrasonic testing (PA-UT) probe designs—a two-dimensional (2D) matrix phased-array probe, and two one-dimensional (1D) linear array probes, referred to as serial number 4 (SN4) engineering test units (ETUs). The 2D probe is a pulse-echo (PE), 32×2, 64-element matrix phased-array ETU. The 1D probes are 32×1 element linear array ETUs. This TLR also provides the results from a performance demonstration (PD) of in-sodium target detection trials at 260°C using both probe designs. This effort continues the iterative evolution supporting the longer term goal of producing and demonstrating a pre-manufacturing prototype ultrasonic probe that possesses the fundamental performance characteristics necessary to enable the development of a high-temperature sodium-cooled fast reactor (SFR) inspection system for in-sodium detection and imaging.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Automated Label‐Free Assay for Viral Detection and Inhibitor Screening via Biomembrane‐Functionalized Microelectrode Arrays

Most virus infection assays have indirect readout such as virus number following entry (e.g., PCR, cell lysis). While effective, these technologies are labor‐intensive, require specialized environments (e.g., sterile or RNA‐free), and detect later‐stage viral events like lysis or cell death, lacking sensitivity to early fusion events. To address these limitations, we present biologically relevant 2D membrane materials, host‐cell‐derived supported lipid bilayers (hcd‐SLBs), integrated with organic microelectrode arrays (OMEAs) for detection of severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) fusion. By overexpressing angiotensin‐converting enzyme 2 (ACE2) receptors on the native membranes, the platform functions as a viral sensor capable of detecting virus pseudo particles (VPPs) through the late pathway. Additionally, hcd‐SLBs extracted from human lung epithelium expressing native ACE2 detect fusion events through the early pathway. The platform's utility as a drug‐screening tool is demonstrated by testing antibodies targeting either the ACE2 on the host membrane or the viral spike (S) proteins. To enhance the throughput, microfluidics are integrated for automation and OMEAs are incorporated within each channel, miniaturizing the testing units. This system supports high‐throughput data generation, automation, and scalability, providing an efficient platform for viral fusion detection that advances the study of pathogen‐host interactions and accelerates antiviral drug discovery.

Biology↗
DOE OSTI2018

Determination of the Flow Rate of Coolant in Pipelines with Unstabilized Flow of Fluid in the Area Following a Bend

Questions related to the determination of the flow rate of coolant in the pipelines of electric plants are considered. Amethod of determining the flow of single-phase coolant for the case of an asymmetric unstabilized velocity profile that is present following a bend in a pipeline is proposed. Results from the use of the proposed method in novel experiments on the testing unit of the Élektrogorsk Scientific Research Center and in the steam pipelines of power unit No. 3 of the Balakovo nuclear power plant are presented.

42 ENGINEERING↗
DOE OSTI2022

Code Verification and Solution Verification framework in pin-resolved neutron transport code MPACT

Program verification in scientific computing encompasses the application of formal and mathematical techniques to a scientific computing code for its credibility, accuracy, and validity. Code Verification identifies bugs and performance issues in the software development stage. Solution Verification assesses the applicability of the code and the accuracy of the solution to problems of interest. Both activities utilize application cases and quantify the error against prescribed acceptance criteria. However, simply executing more application cases does not guarantee stronger or more comprehensive credibility. Here, we establish a verification framework that involves Code Verification and Solution Verification, both of which work together such that the overarching goal of “converge to the correct answer for the intended application” can be reasonably inferred. The application of such a verification framework is demonstrated using the pin-resolved neutron transport code MPACT, where standard unit tests and regression tests are covered, and where the Method of Exact Solutions and the Method of Manufactured Solutions are successfully used. Additionally, the applicability of Method of Manufactured Solutions is extended to the OECD/NEA C5G7 benchmark problems of practical material and geometric configurations. Solution Verification activities are demonstrated on a practical hierarchy of application models of increasing complexity ranging from 2D pin cell problems to 3D assembly problems. The convergence behavior and rate of convergence with respect to each individual variable are studied and provided. This framework can be adapted broadly to other fields involving scientific computing codes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

GenASiS Basics: Object-oriented utilitarian functionality for large-scale physics simulations

Aside from numerical algorithms and problem setup, large-scale physics simulations on distributed-memory supercomputers require more basic utilitarian functionality, such as physical units and constants; display to the screen or standard output device; message passing; I/O to disk; and runtime parameter management and usage statistics. Here we describe and make available Fortran 2003 classes furnishing extensible object-oriented implementations of this sort of rudimentary functionality, along with individual `unit test' programs and larger example problems demonstrating their use. Lastly, these classes compose the Basics division of our developing astrophysics simulation code GenASiS (General Astrophysical Simulation System), but their fundamental nature makes them useful for physics simulations in many fields.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Method for separation of coal conversion products from oxygen carriers

Complete fuel conversion represents an important, but unresolved, aspect in Chemical Looping Combustion (CLC). Different system design approaches are currently being investigated to maximize carbon conversion in the fuel reactor. To achieve greater than ninety percent conversion of the fuel in “fluid-bed” type reducers will require that CLC systems be equipped with additional process equipment to ensure that unburnt fuel leaving the reducer is minimized. This paper presents results obtained from a laboratory test system simulating a char stripper design comprising two components; one for separating large char particles, based on material density differentials, and another for removing small char particles from the oxygen carrier (OC) leaving the reducer, based on elutriation. A test unit was designed, built and operated to identify optimum conditions for separating OC material from unburnt solid fuel – char. The results obtained are necessary for designing a high temperature unit operated at temperatures expected within a CLC system.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2014

Kokkos: Enabling manycore performance portability through polymorphic memory access patterns

The manycore revolution can be characterized by increasing thread counts, decreasing memory per thread, and diversity of continually evolving manycore architectures. High performance computing (HPC) applications and libraries must exploit increasingly finer levels of parallelism within their codes to sustain scalability on these devices. We found that a major obstacle to performance portability is the diverse and conflicting set of constraints on memory access patterns across devices. Contemporary portable programming models address manycore parallelism (e.g., OpenMP, OpenACC, OpenCL) but fail to address memory access patterns. The Kokkos C++ library enables applications and domain libraries to achieve performance portability on diverse manycore architectures by unifying abstractions for both fine-grain data parallelism and memory access patterns. In this paper we describe Kokkos’ abstractions, summarize its application programmer interface (API), present performance results for unit-test kernels and mini-applications, and outline an incremental strategy for migrating legacy C++ codes to Kokkos. Furthermore, the Kokkos library is under active research and development to incorporate capabilities from new generations of manycore architectures, and to address a growing list of applications and domain libraries.

97 MATHEMATICS AND COMPUTING↗