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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Evaluation of pebble scanning strategies for fuel qualification by simple simulated radiography

Reactor designs using tristructural-isotropic (TRISO) particles in pebble fuel forms have been developed in multiple programs and are now being designed and deployed by several companies around the world. Fuel pebbles for these designs commonly contain an inner fueled zone packed with TRISO particles and a fuel-free zone on the surface of the pebble to protect the particles within. Therefore, qualification of pebbles for use in a reactor commonly requires determination that there are no TRISO particles within a given minimum distance to the pebble surface. This determination may be made non-destructively by pebble radiography, in which a series of x-ray projections of the pebble are acquired. In this work, a method to create and image representative digital pebbles was developed to allow for rapid testing of various pebble radiography strategies to evaluate their effectiveness in detecting escapee particles. Using this method, imaging strategies in two and three dimensions were tested with fixed and adaptive angular distributions. Here it was found that an adaptive two-dimensional pebble scanning strategy was the most effective for fuel pebble qualification.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Flex-PCB Quench Antenna Developments at FNAL

We report flexible printed-circuit-board-based quench antenna arrays have been developed at FNAL since 2017. They proved to be low-noise, low-cost, sensitive, and non-invasive sensors for quench characterization in superconducting magnets, having the potential to extend even to quench detection. Starting with applications of small area sensors of this type, we have explored feasibility for operations at high pressure, and have invested in multi-channel quench antenna arrays covering the complete area of the innermost magnet layer of the conductor. We've also tested and optimized sensor geometry and relative orientations to increase sensitivity and spatial resolution. Beyond developments of warm and cold bore antennas, we've progressed to concepts which attach quench antennas to the conductor surfaces of accelerator magnets. Multiple programs and projects at FNAL and collaborating institutions benefited from this work already and our plans target further extensions of capabilities and applicability of these devices. In this paper we present the logic behind the development steps taken so far, status of our work and direction of near-term research on quench antennas at Fermilab.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Operation, Manufacturing, and Supply Chain of Lithium-ion Batteries for Electric Vehicles

The US Department of Energy (DOE) has a rich history of funding key innovations in batteries through multiple programs, including the Energy Efficiency and Renewable Energy programs sponsored by the Vehicle Technologies Office and Advanced Manufacturing Office. These DOE-sponsored innovations have been critical in lowering the cost of lithium-ion batteries to less than $160/kWh and increasing their energy density to more than 250 Wh/kg, enhancing the nation’s electrification system and achieving higher degrees of decarbonization. These investments continue to be crucial for positioning the United States as the hub for the most cumulative battery R&D programs worldwide. However, major breakthroughs in battery manufacturing are still needed to enable an electrified future evolving to predominantly incorporate rechargeable lithium-ion batteries. This will require a strong battery manufacturing base that will not only enable cutting-edge advancements in materials and manufacturing sciences but will also allow the United States to become a world leader in this fast-growing area. This review aims at supporting DOE’s Advanced Technology Vehicle Manufacturing Loan Program to give technology background and information that can be used to develop the basis for loan topics and evaluate battery applications. Such a program can represent a significant stride toward reinforcing the US position in advanced manufacturing by introducing artificial intelligence, machine learning, and sensing and smart controls to facilitate, expedite, and lead the battery industry by 2030.

25 ENERGY STORAGE↗
DOE OSTI2021

HED Hydrodynamics in the Common Modeling Framework

Within the Common Modeling Framework (CMF), the HED Hydrodynamics Project has implemented a common methodology, or "Authority", for modeling high energy density (HED) experiments by extending development of the Eulerian Applications Project code Authority, "EAPA," to include relevant physics models, customization tools and templates, and in situ and post-processing capabilities. Additionally, several models for small-scale HED experiments were successfully added to the CMF and simulations reproduce the results of preexisting, benchmarked input decks. We expect use of the CMF to improve our effectiveness in developing predictive capabilities for experiments ranging from small-scale planar single-interface, single-shock to multi-interface, multi-shock configurations and up through multi-shell inertial confinement fusion (ICF) implosions. Additionally, this will strengthen our ability to design future targeted experiments. Using the CMF infrastructure and Authorities for HED modeling has three key impacts. First, it enables a version-controlled, pedigreed and archived base model for each experiment with tools that allow easy setup, execution and analysis of simulations to assess and/or expose sensitivities to various parameters. Second, having a common base set of inputs and physics definitions helps identify systematic differences between models in the codes and experimental data to support code validation, and build confidence in our predictive capabilities. Finally, designed to work in concert with multiple programs and projects including PEM, IC, OES, V&V and DSW, the CMF supports improved collaboration and integration through shared model definitions, data, simulations and results, enhancing the workflow required to underwrite the knowledge base and capabilities ultimately required for stockpile stewardship

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Nanomanufacturing of Nanophononic Devices: Ultra-high ZT Thermoelectrics for Efficient Conversion of Waste Heat

Fabrication and Characterization Summary: For this program, the team fabricated and tested silicon thermoelectric test structures that experimentally demonstrated record thermal conductivity reduction (> 85 %) without changes in electrical properties (conductivity and Seebeck coefficient). We also demonstrated the highest ever reported energy conversion efficiency for silicon thermoelectric devices. The team developed a design for 1 cm 2 die with thousands of nanophononic metamaterial structures in the form of nanowalled membranes but were unable to solve all fabrication challenges before the end of the program. Multiple aspects of the design were submitted for patent protection. Primary challenges were related to silicon-on-insulator material quality and high-aspect-ratio etching.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2024

A Full-Stack Exploration of Language-Based Parallelism in Fortran 2023

This poster explores native parallel features in Fortran 2023 through the lens of supporting applications with libraries, compilers, and parallel runtimes. The language revision informally named Fortran 2008 introduced parallelism in the form of Single Program Multiple Data (SPMD) execution with two broad feature sets: (1) loop-level parallelism via do concurrent and (2) a Partitioned Global Address Space (PGAS) comprised of distributed “coarray” data structures. Fortran’s native parallelism has demonstrated high performance [1] and reduced the burden of inserting what sometimes amounts to more directives than code. Several compilers support both feature sets, typically by translating do concurrent into serial do loops annotated by parallel directives and by translating SPMD/PGAS features into direct calls to a communication library. Our research focuses primarily on two questions: (1) can the compiler’s parallel runtime library be developed in the language being compiled (Fortran) and (2) can we define an interface to the runtime that liberates compilers from being hardwired to one runtime and vice versa. We are answering these questions by developing the Parallel Runtime Interface for Fortran (PRIF) [2] and the Co-Array Fortran Framework of Efficient Interfaces to Network Environments (Caffeine) [3]. Caffeine is initially targeting adoption by LLVM Flang, a new open-source Fortran compiler developed by a broad community in industry, academia, and government labs. We are also exploring the use of these features in Inference-Engine, a deep learning library designed to facilitate neural network training and inference for high-performance computing applications written in modern Fortran.

Rasmussen, Katherine↗
DOE OSTI2022

NXREFINE

NXRefine implements a complete workflow for both data acquisition and reduction of single crystal diffuse x-ray scattering collected as a series of area detector frames during continuous sample rotation. The data are stored in HDF5 files, which conform to the NeXus data format standard. These files contain a comprehensive set of metadata, including the incident wavelength, powder calibration scans used to define detector distances, beam centers, and yaw, pitch, and roll corrections. Automated peak searches of the three-dimensional data arrays define a set of Bragg peaks that are used to define an orientation matrix, defined according to Busing and Levy, which is then used to transform the data from angular coordinates to reciprocal space coordinates using the CCTW program. Multiple rotations at different detector translations and offset rotation axes are combined to ensure that there are no gaps in the reconstructed data, and allow the construction of masks to eliminate detector artifacts due to Compton scattering within the sensor layers. Finally, the data can be transformed into 3D-ΔPDF maps using the punch-and-fill method after symmetrization.

OSBORN, RAYMOND↗
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 OSTI2023

CHARM-SYCL: New Unified Programming Environment for Multiple Accelerator Types

Addressing performance portability across diverse accelerator architectures has emerged as a major challenge in the development of application and programming systems for high-performance computing environments. Although recent programming systems that focus on performance portability have significantly improved productivity in an effort to meet this challenge, the problem becomes notably more complex when compute nodes are equipped with multiple accelerator types—each with unique performance attributes, optimal data layout, and binary formats. To navigate the intricacies of multi-accelerator programming, we propose CHARM-SYCL as an extension of our CHARM multi-accelerator execution environment [27]. This environment will combine our SYCL-based performance-portability programming front end with a back end for extremely heterogeneous architectures as implemented with the IRIS runtime from Oak Ridge National Laboratory. Our preliminary evaluation indicates potential productivity boost and reasonable performance compared to vendor-specific programming system and runtimes.

Fujita, Norihisa↗
DOE OSTI2024

IRIS Reimagined: Advancements in Intelligent Runtime System for Task-Based Programming

Task-based programming models are gaining traction in scientific computing. IRIS is a portable runtime system that exploits multiple heterogeneous programming systems and can discover available resources and manage multiple diverse programming systems (e.g., CUDA, Hexagon, HIP, Level Zero, OpenCL, and OpenMP) simultaneously. It accounts for the constraints of task dependencies and provides customizable scheduling policies to map those tasks to heterogeneous devices. In this paper, we present new capabilities added to IRIS to improve its portability for heterogeneous programming, build-friendliness, and performance efficiency. The new additions include vendor-specific kernel support, a runtime system with a foreign function interface to eliminate writing wrapper or boilerplate code for heterogeneous kernels, an easy-to-use and configurable CMake-based build environment, automatic and efficient data transfers and orchestration, and the Hunter and DAGGER toolchains to evaluate IRIS’s task scheduling algorithms.

Miniskar, Narasinga Rao↗
DOE OSTI2024

Toward Automated Detection of Portability Bugs in Kokkos Parallel Programs

Performance-portable programming frameworks provide abstractions for parallel execution to allow easily porting an application to multiple backend programming models, such as CUDA, HIP, and OpenMP. However, programs may still have portability bugs that manifest only on specific backends. Traditional testing is ineffective in discovering these bugs, as it would require concrete execution on all supported hardware configurations for a potentially infinite set of inputs. To mitigate this issue, we focused on a specific programming framework, Kokkos, and identified several categories of common portability bugs. We then developed Klokkos, a static analysis approach based on symbolic execution that can run on commodity hardware, before execution on supercomputers. As a proof-of-concept, we ran Klokkos on examples encoding the identified bugs. Our results show that Klokkos is effective, efficient, and precise: it detected all the considered bugs, quickly, and without any false positives. Although preliminary, our results motivate further research and development in this direction.

Kale, Vivek↗
DOE OSTI2023

The LANSCE experimental program: accelerator requirements

The LANSCE accelerator complex exploits a flexible, high power 800 MeV proton linear accelerator to enable a broad swath of experimental work supporting multiple scientific programs. The beam requirements for these programs are diverse and change over time. The purpose of this document is to record, at a high level, the experimental requirements driving the beam delivery requirements for each experimental facility at LANSCE. Revision 0 serves to baseline the current set of experiments, and we expect to revise the document on an as-needed basis when either the experimental requirements change or are found to require a more complete definition.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

A conserved molecular logic for neurogenesis to gliogenesis switch in the cerebral cortex

During development, neural stem cells in the cerebral cortex, also known as radial glial cells (RGCs), generate excitatory neurons, followed by production of cortical macroglia and inhibitory neurons that migrate to the olfactory bulb (OB). Understanding the mechanisms for this lineage switch is fundamental for unraveling how proper numbers of diverse neuronal and glial cell types are controlled. We and others recently showed that Sonic Hedgehog (Shh) signaling promotes the cortical RGC lineage switch to generate cortical oligodendrocytes and OB interneurons. During this process, cortical RGCs generate intermediate progenitor cells that express critical gliogenesis genes Ascl1, Egfr, and Olig2. The increased Ascl1 expression and appearance of Egfr + and Olig2 + cortical progenitors are concurrent with the switch from excitatory neurogenesis to gliogenesis and OB interneuron neurogenesis in the cortex. While Shh signaling promotes Olig2 expression in the developing spinal cord, the exact mechanism for this transcriptional regulation is not known. Furthermore, the transcriptional regulation of Olig2 and Egfr has not been explored. Here, we show that in cortical progenitor cells, multiple regulatory programs, including Pax6 and Gli3, prevent precocious expression of Olig2, a gene essential for production of cortical oligodendrocytes and astrocytes. We identify multiple enhancers that control Olig2 expression in cortical progenitors and show that the mechanisms for regulating Olig2 expression are conserved between the mouse and human. Our study reveals evolutionarily conserved regulatory logic controlling the lineage switch of cortical neural stem cells.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

A VERITAS/Breakthrough Listen Search for Optical Technosignatures

The Breakthrough Listen Initiative is conducting a program using multiple telescopes around the world to search for “technosignatures”: artificial transmitters of extraterrestrial origin from beyond our solar system. The Very Energetic Radiation Imaging Telescope Array System (VERITAS) Collaboration joined this program in 2018 and provides the capability to search for one particular technosignature: optical pulses of a few nanoseconds in duration detectable over interstellar distances. We report here on the analysis and results of dedicated VERITAS observations of Breakthrough Listen targets conducted in 2019 and 2020 and of archival VERITAS data collected since 2012. Thirty hours of dedicated observations of 136 targets and 249 archival observations of 140 targets were analyzed and did not reveal any signals consistent with a technosignature. The results are used to place limits on the fraction of stars hosting transmitting civilizations. We also discuss the minimum pulse sensitivity of our observations and present VERITAS observations of CALIOP: a space-based pulsed laser on board the Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observations. The detection of these pulses with VERITAS, using the analysis techniques developed for our technosignature search, allows a test of our analysis efficiency and serves as an important proof of principle.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

History of the Chemical Stockpile Emergency Preparedness Program – Volume 2: Lessons Learned (Final Report 2026)

The CSEP Program involved multiple federal agencies, multiple states, and numerous local units of government. The involvement of diverse agencies at different levels of government led to conflict and difficulty in resolving issues. That, in turn, led to slow progress in achieving program goals. Program management was criticized repeatedly by the U.S. General Accounting Office (GAO). After other mechanisms for interagency coordination had failed to give the desired results, FEMA and the Army agreed to form site-specific and national-level IPTs. The IPTs worked well to break the logjam and accelerate implementation of the program. Key elements of the IPTs’ success included constant interagency communication, solving problems at the lowest level, and obtaining buy-in from higher authority. The IPT technique could be applied to other emergency management and homeland security programs that require interagency coordination.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2025

Performance Portability Evaluation of Fluid-Structure Interaction Simulations on Heterogeneous Platforms

The rapid proliferation of heterogeneous programming languages and multi-vendor hardware has underscored the critical need to evaluate the performance portability of scientific applications. In this work, we present the systematic porting and optimization of a massively parallel fluid-structure interaction code across multiple heterogeneous programming frameworks for deployment on leadership-class supercomputers from major vendors. Our analysis focuses on at-scale performance for simulations involving hundreds of millions of deformable cells, executed on a combination of CPUs and GPUs spanning thousands of nodes on exascale machines. We benchmark the performance of each implementation, highlighting the trade-offs inherent in adopting diverse programming models. Key insights regarding the portability of CUDA on multi-vendor platforms, the superior multi-core CPU performance from SYCL, and architectural considerations on performance optimization are distilled from our experience, offering guidance to other users of high performance computing based on our findings.

Martin, Aristotle [Duke University]↗
DOE OSTI2022

Velocity dispersion and dynamical masses for 388 galaxy clusters and groups

The second catalogue of Planck Sunyaev-Zeldovich (SZ) sources, hereafter PSZ2, represents the largest galaxy cluster sample selected by means of their SZ signature in a full-sky survey. For this work, using telescopes at the Canary Island observatories, we conducted the long-term observational program 128- MULTIPLE-16/15B (hereafter LP15), a large and complete optical follow-up campaign of all the unidentified PSZ2 sources in the northern sky, with declinations above –15° and no correspondence in the first Planck catalogue PSZ1. This paper is the third and last in the series of LP15 results, after Streblyanska et al. (2019, A&A, 628, A13) and Aguado-Barahona et al. (2019, A&A, 631, A148), and presents all the spectroscopic observations of the full program. We complement these LP15 spectroscopic results with Sloan Digital Sky Survey archival data and other observations from a previous program (ITP13-08), and present a catalogue of 388 clusters and groups of galaxies including estimates of their velocity dispersion. The majority of them (356) are optical counterparts of PSZ2 sources. A subset of 297 of those clusters are used to construct the M SZ – M dyn scaling relation based on the estimated SZ mass from Planck measurements and our dynamical mass estimates. We discuss and correct for different statistical and physical biases in the estimation of the masses, such as the Eddington bias when estimating M SZ and the aperture and the number of galaxies used to calculate M dyn . The SZ-to-dynamical mass ratio for those 297 PSZ2 clusters is (1 – B) = 0.80 ± 0.04 (stat) ± 0.05 (sys), with only marginal evidence for a possible mass dependence for this factor. Our value is consistent with previous results in the literature, but is associated with a significantly smaller uncertainty due to the use of the largest sample size for this type of study.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Efficient Treatment of Large Active Spaces through Multi-GPU Parallel Implementation of Direct Configuration Interaction

In this study, we have extended our graphical processing unit (GPU)-accelerated direct configuration interaction program to multiple devices, reducing iteration times for configuration spaces of 165 million determinants to only 3 s using NVIDIA P100 GPUs. Similar improvements in the one- and two-particle reduced density matrix formation allow for fast analytical energy gradients and electronic properties. Our parallel algorithm enables the calculation of arbitrarily large configuration spaces (limited only by available system memory), with iteration times of 13 min for an active space of 18 electrons in 18 orbitals (2.4 billion determinants) using six consumer grade NVIDIA 1080Ti GPUs. These advances enable routine molecular dynamics simulations, geometry optimizations, and absorption spectrum calculations for molecules with large configuration spaces, a task that has heretofore required massive computational effort. In this work, we demonstrate the utility of our program by generating the absorption spectrum for diphenyl acetylene at the floating occupation molecular orbital complete active space configuration interaction level of theory. Lastly, several active spaces were investigated to assess the dependence of spectral features on orbital space dimension.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗