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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 1,765 records · Page 98
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

EXAGRAPH: Graph and combinatorial methods for enabling exascale applications

Combinatorial algorithms in general and graph algorithms in particular play a critical enabling role in numerous scientific applications. However, the irregular memory access nature of these algorithms makes them one of the hardest algorithmic kernels to implement on parallel systems. With tens of billions of hardware threads and deep memory hierarchies, the exascale computing systems in particular pose extreme challenges in scaling graph algorithms. The codesign center on combinatorial algorithms, ExaGraph, was established to design and develop methods and techniques for efficient implementation of key combinatorial (graph) algorithms chosen from a diverse set of exascale applications. Algebraic and combinatorial methods have a complementary role in the advancement of computational science and engineering, including playing an enabling role on each other. In this paper, we survey the algorithmic and software development activities performed under the auspices of ExaGraph from both a combinatorial and an algebraic perspective. In particular, we detail our recent efforts in porting the algorithms to manycore accelerator (GPU) architectures. We also provide a brief survey of the applications that have benefited from the scalable implementations of different combinatorial algorithms to enable scientific discovery at scale. We believe that several applications will benefit from the algorithmic and software tools developed by the ExaGraph team.

97 MATHEMATICS AND COMPUTING↗
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

Destabilizing high-capacity high entropy hydrides via earth abundant substitutions: From predictions to experimental validation

The vast chemical space of high entropy alloys (HEAs) makes trial-and-error experimental approaches for materials discovery intractable and often necessitates data-driven and/or first principles computational insights to successfully target materials with desired properties. In the context of materials discovery for hydrogen storage applications, a theoretical prediction-experimental validation approach can vastly accelerate the search for substitution strategies to destabilize high-capacity hydrides based on benchmark HEAs, e.g. TiVNbCr alloys. Here, in this study, machine learning predictions, corroborated by density functional theory calculations, predict substantial hydride destabilization with increasing substitution of earth-abundant Fe content in the (TiVNb) 75 Cr 25-x Fe x system. The as-prepared alloys crystallize in a single-phase bcc lattice for limited Fe content x < 7, while larger Fe content favors the formation of a secondary C14 Laves phase intermetallic. Short range order for alloys with x < 7 can be well described by a random distribution of atoms within the bcc lattice without lattice distortion. Hydrogen absorption experiments performed on selected alloys validate the predicted thermodynamic destabilization of the corresponding fcc hydrides and demonstrate promising lifecycle performance through reversible absorption/desorption. This demonstrates the potential of computationally expedited hydride discovery and points to further opportunities for optimizing bcc alloy ↔ fcc hydrides for practical hydrogen storage applications.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Perception-action relationships reconsidered in light of spatial display instruments

Spatial display instruments convey information about both the identity and the location of objects in order to assist surgeons, astronauts, pilots, blind individuals, and others in identification, remote manipulations, navigation, and obstacle avoidance. Scientists believe that these instruments have not reached their full potential and that progress toward new applications, including the possibility of restoring sight to the blind, will be accelerated by advancing the understanding of perceptual processes. This stimulating challenge to basic researchers was advanced by Paul Bach-Y-Rita (1972) and by the National Academy of Science (1986) report on Electronic Aids for the Blind. Although progress has been made, new applications of spatial display instruments in medicine, space, aviation, and rehabilitation await improved theoretical and empirical foundations.

Shebilske, Wayne L.↗
DOE OSTI2018

Preliminary performance evaluation of P++ single event proton scattering algorithms on GPUS - 25688

A need has been realized for fast, accurate charged particle transport in a wide variety of domains. Utilizing hardware acceleration through GPUs now common in user desktops, speedups in simulation comparable to those found with HPC systems can be realized for a fraction of the price. Preliminary results on the P++ proton transport code developed by the Rensselaer Radiation Measurement and Dosimetry Group (RRMDG) are presented. The code has been validated for the 1 GeV to 1 MeV energy regime and is targeted to benefit application areas such as proton radiography, space radiation research, and clinical accelerator therapy. The code is notable for employing a single event, 'on the fly' cross section based transport algorithm rather than the traditional condensed history or step based method seen in many production Monte Carlo codes. Performance improvements for the P++ code have been introduced through MPI parallelization as well as a CUDA version of the transport algorithm capable of running on NVidia GPUs. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2014

Poster — Thur Eve — 67: Tangential Modulated Arc Therapy (TMAT): A Novel Technique using Megavoltage Photons for the Treatment of Superficial Disease

We propose a new type of treatment that employs a modulated tangential photon field to provide superior coverage of complex superficial targets when compared to other commonly employed methods, and drastically reduce dose to the underlying sensitive structures often present in these cases. TMAT plans were formulated for a set of four representative cases: 1. Scalp sarcoma, 2. Posterior chest-wall sarcoma, 3. Pleural mesothelioma with intact lung, 4. Chest-wall with deep inframammary nodes. For these cases, asymmetric jaw placement, angular limitations, and central isocenter placements were used to force optimization solutions with beam lines tangential to the body surface. When compared with unrestricted modulated arcs, the tangential arc scalp treatment reduced the max and mean doses delivered to the brain by 33Gy (from 55Gy to 22Gy) and 6Gy (from 14Gy to 8Gy), respectively. In the posterior chest wall case, the V10 for the ipsilateral lung was kept below 5% impressively while retaining the 45Gy target prescription coverage by over 97%. For the breast chest-wall case, the TMAT plan achieved reductions in high dose to the ipsilateral lung and heart by a factor of 2–3 when compared to classic, laterally opposed, tangents and reduced the V5 by 40% when compared to standard modulated arcs. TMAT has outperformed the conventional modalities of treatment for superficial lesions used in our clinic. We hope that with the advent of digitally controlled linear accelerators, we can uncover further benefits of this new technique and extend its applicability to a wider section of the patient population.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2014

Kuang's Semi-Classical Formalism for Calculating Electron Capture Cross Sections: A Space- Physics Application

Accurate estimates of electroncapture cross sections at energies relevant to the modeling of the transport, acceleration, and interaction of energetic neutral atoms (ENA) in space (approximately few MeV per nucleon) and especially for multi-electron ions must rely on detailed, but computationally expensive, quantum-mechanical description of the collision process. Kuang's semi-classical approach is an elegant and efficient way to arrive at these estimates. Motivated by ENA modeling efforts for apace applications, we shall briefly present this approach along with sample applications and report on current progress.

Barghouty, A. F.↗
DOE OSTI2023

Accelerating Random Forest Classification on GPU and FPGA

Random Forests (RFs) are a commonly used machine learning method for classification and regression tasks spanning a variety of application domains, including bioinformatics, business analytics, and software optimization. While prior work has focused primarily on improving performance of the training of RFs, many applications, such as malware identification, cancer prediction, and banking fraud detection, require fast RF classification. In this work, we accelerate RF classification on GPU and FPGA. In order to provide efficient support for large datasets, we propose a hierarchical memory layout suitable to the GPU/FPGA memory hierarchy. We design three RF classification code variants based on that layout, and we investigate GPU- and FPGA-specific considerations for these kernels. Our experimental evaluation, performed on an Nvidia Xp GPU and on a Xilinx Alveo U250 FPGA accelerator card using publicly available datasets on the scale of millions of samples and tens of features, covers various aspects. First, we evaluate the performance benefits of our hierarchical data structure over the standard compressed sparse row (CSR) format. Second, we compare our GPU implementation with cuML, a machine learning library targeting Nvidia GPUs. Third, we explore the performance/accuracy tradeoff resulting from the use of different tree depths in the RF. Finally, we perform a comparative performance analysis of our GPU and FPGA implementations. Our evaluation shows that for high accuracy targets, our GPU implementation yields 5-9x speedup over CSR, and up to a 2x speedup over cuML.

FPGA, Xilinx FPGA, GPU, Random Forest classificati↗
DOE OSTI2014

A Monte Carlo synthetic-acceleration method for solving the thermal radiation diffusion equation

We present a novel synthetic-acceleration-based Monte Carlo method for solving the equilibrium thermal radiation diffusion equation in three spatial dimensions. The algorithm performance is compared against traditional solution techniques using a Marshak benchmark problem and a more complex multiple material problem. Our results show that our Monte Carlo method is an effective solver for sparse matrix systems. For solutions converged to the same tolerance, it performs competitively with deterministic methods including preconditioned conjugate gradient and GMRES. We also discuss various aspects of preconditioning the method and its general applicability to broader classes of problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

U.S. Research Impact Alliance IMPACT Accelerator

The U.S. Research Impact Alliance (USRIA) was created with a vision to leverage successful models that accelerate technology development and commercialization, and support startup businesses based upon federal research investments. Building upon lessons learned and feedback from cohort teams, the USRIA programs have morphed into customized solutions that offer services which provide the most impact to startup businesses. Based upon discussions with small and startup businesses, entrepreneurs, and technology developers, a variety of resources have been developed to support each of these target audiences. USRIA created program differentiators to offer one-on-one engagement and direct communication with cohort teams, highly relevant conversations with targeted introductions, and minimal “class” time (only used when an issue is applicable to all cohort members).

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

White Paper on High Temperature Superconducting Bi-2212 Magnets for Energy Frontier Circular Colliders

As the only high-temperature superconducting (HTS) material available as an isotropic, twisted, multifilamentary round wire, Bi-2212 is very promising for expanding the high-field superconducting accelerator magnet toolbox beyond the round-wire, isotropic Nb-Ti and Nb3Sn conductors used by HEP so far. In this paper, we describe the important roles that Bi-2212 might play for future high energy circular colliders including both high energy proton and muon colliders. We describe its present technology status (conductor development, magnet design concepts, prototype magnet status) and then provide a ten-year plan for >15 T accelerator magnets and >25 T solenoid magnets within an integrated strategy to engage industry and the entire US and international scientific enterprise interested in HTS magnet applications.

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

OpenMP 4.5 Validation and Verification Suite for Device Offload

OpenMP has been widely adopted for shared memory systems for over a decade. With the heterogeneity trend in architectures rapidly growing, the programming model needed to evolve such that applications could not only be ported to traditional CPUs but also to accelerators often acting as discrete or integrated devices to CPUs. To that end, OpenMP started to provide support for heterogeneous systems since 2013 when the version 4.0 of the specification was ratified. OpenMP 4.5 is being enhanced to cover major requirements of Exascale Computing Project (ECP) applications. As a result it is time-critical to ensure that the implementations of the 4.5 features are correct and conforming to the specification. This paper focuses on building a Validation and Verification testsuite that will test and present results for several offloading features implemented in compilers such as Clang, IBM XL C/C++, CCE, and GCC. We have results for our testsuite on TITAN, Summitdev and Summit at the Oak Ridge National Lab. We will highlight some of the ambiguities we encountered in the process of validating and verifying feature implementations. We also make the testsuite available for anyone to use and will walk the readers through the infrastructure and the workflow of the testsuite. A website has been built to capture our efforts narrated in this paper https://crpl.cis.udel.edu/ompvvsollve.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2018

OpenMP 4.5 Validation and Verification Suite for Device Offload

OpenMP has been widely adopted for shared memory systems for over a decade. With the heterogeneity trend in architectures rapidly growing, the programming model needed to evolve such that applications could not only be ported to traditional CPUs but also to accelerators often acting as discrete or integrated devices to CPUs. To that end, OpenMP started to provide support for heterogeneous systems since 2013 when the version 4.0 of the specification was ratified. OpenMP 4.5 is being enhanced to cover major requirements of Exascale Computing Project (ECP) applications. As a result it is time-critical to ensure that the implementations of the 4.5 features are correct and conforming to the specification. This paper focuses on building a Validation and Verification testsuite that will test and present results for several offloading features implemented in compilers such as Clang, IBM XL C/C++, CCE, and GCC. We have results for our testsuite on TITAN, Summitdev and Summit at the Oak Ridge National Lab. We will highlight some of the ambiguities we encountered in the process of validating and verifying feature implementations. We also make the testsuite available for anyone to use and will walk the readers through the infrastructure and the workflow of the testsuite. A website has been built to capture our efforts narrated in this paper https://crpl.cis.udel.edu/ompvvsollve.

Monsalve Diaz, Jose↗
DOE OSTI2016

A new deflection technique applied to an existing scheme of electrostatic accelerator for high energy neutral beam injection in fusion reactor devices

A scheme of a neutral beam injector (NBI), based on electrostatic acceleration and magneto-static deflection of negative ions, is proposed and analyzed in terms of feasibility and performance. The scheme is based on the deflection of a high energy (2 MeV) and high current (some tens of amperes) negative ion beam by a large magnetic deflector placed between the Beam Source (BS) and the neutralizer. This scheme has the potential of solving two key issues, which at present limit the applicability of a NBI to a fusion reactor: the maximum achievable acceleration voltage and the direct exposure of the BS to the flux of neutrons and radiation coming from the fusion reactor. In order to solve these two issues, a magnetic deflector is proposed to screen the BS from direct exposure to radiation and neutrons so that the voltage insulation between the electrostatic accelerator and the grounded vessel can be enhanced by using compressed SF{sub 6} instead of vacuum so that the negative ions can be accelerated at energies higher than 1 MeV. By solving the beam transport with different magnetic deflector properties, an optimum scheme has been found which is shown to be effective to guarantee both the steering effect and the beam aiming.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

ZMPY3D: accelerating protein structure volume analysis through vectorized 3D Zernike moments and Python-based GPU integration

Abstract Motivation Volumetric 3D object analyses are being applied in research fields such as structural bioinformatics, biophysics, and structural biology, with potential integration of artificial intelligence/machine learning (AI/ML) techniques. One such method, 3D Zernike moments, has proven valuable in analyzing protein structures (e.g., protein fold classification, protein–protein interaction analysis, and molecular dynamics simulations). Their compactness and efficiency make them amenable to large-scale analyses. Established methods for deriving 3D Zernike moments, however, can be inefficient, particularly when higher order terms are required, hindering broader applications. As the volume of experimental and computationally-predicted protein structure information continues to increase, structural biology has become a “big data” science requiring more efficient analysis tools. Results This application note presents a Python-based software package, ZMPY3D, to accelerate computation of 3D Zernike moments by vectorizing the mathematical formulae and using graphical processing units (GPUs). The package offers popular GPU-supported libraries such as CuPy and TensorFlow together with NumPy implementations, aiming to improve computational efficiency, adaptability, and flexibility in future algorithm development. The ZMPY3D package can be installed via PyPI, and the source code is available from GitHub. Volumetric-based protein 3D structural similarity scores and transform matrix of superposition functionalities have both been implemented, creating a powerful computational tool that will allow the research community to amalgamate 3D Zernike moments with existing AI/ML tools, to advance research and education in protein structure bioinformatics. Availability and implementation ZMPY3D, implemented in Python, is available on GitHub (https://github.com/tawssie/ZMPY3D) and PyPI, released under the GPL License.

Lai, Jhih-Siang (ORCID:0000000156775890)↗
DOE OSTI2022

Fixing Amdahl's Law within the Limits of Accelerated Systems: FALLACY

Closeout report for FALLACY project. The performance of Data Model Convergence Initiative (DMC) applications on parallel machines is far below the limit set by Amdahl’s law. Whether the machine is based on many-core, GPUs, FPGAs, or a heterogeneous combination, usually the most significant bottleneck is accessing data from the memory system. Aligning with DMC’s HW/architecture thrust, this project developed a set of memory-centric tools called ‘MemGaze’ that inform the HW/SW stack about an application’s memory behavior, including data access latency and diagnosing poor data layout and data composition. Our approach uses architectural modeling and analysis of workload data accesses.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

In-Situ Monitoring Assisted Large-Scale Additive Manufacturing of Mild Steel and 316L Alloys for Nuclear Application

The Advanced Materials and Manufacturing Technologies (AMMT) Program is aimed at developing cross-cutting technologies in support of a broad range of nuclear reactor parts, and to maintain U.S. leadership in materials and manufacturing technologies for nuclear energy applications. The overarching vision of the AMMT program is to accelerate the development, qualification, demonstration and deployment of advanced materials and manufacturing technologies to enable reliable and economical nuclear energy. One of its three goals is to target big challenges and game-changing technologies, to realize the mission and vision of AMMT program. Based on this context, this multi-year work package focuses on understanding the current state of large-scale additive manufacturing (AM) technology for the deposition of 316L stainless steel materials for final components and mild steel for use in nuclear manufacturing processes. The targeted AM modality is directed energy deposition (DED), capable of fabricating components on the size scale of meters including valves, pumps, impellers. etc. that are challenging or difficult to source, especially when developing new systems or replacing obsolete components. Accordingly, the current writeup aims at providing a baseline literature survey on structure-property relationships in mild steel and 316L alloys. Also, information on preliminary trials to date involving these two alloys show tremendous potential of printing parts having complex geometry and thin- walled structures, such as nuclear valve and Hot isostatic Press (HIP) can, using wire based (Wire Arc Additive Manufacturing and Hybrid Additive Manufacturing) as well as blown powder DED machines. All of this is aimed towards (i) demonstrating the ability to fabricate large components for pressure boundary applications relevant to the nuclear community and nuclear manufacturing technology, and (ii) understanding the effect of different manufacturing technology on AM can production and post HIPed material for nuclear applications. Another target of this writeup is to compile various in-situ monitoring tools that have been incorporated for different DED AM modalities, in order to understand process variability during the entire fabrication process. This can be correlated with processing-structure-property response surfaces and would add confidence around process quality verification and ultimately component certification for nuclear applications.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗