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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Benchmarking a Proof-of-Concept Performance Portable SYCL-based Fast Fourier Transformation Library

ABSTRACT In this paper, we present an early version of a SYCL-based FFT library, capable of running on all major vendor hardware, including CPUs and GPUs from AMD, ARM, Intel and NVIDIA. The current limitations of our library is it supports single-dimension FFTs up to 211 in length and base-2 input sequences. Although preliminary, the aim of this work is to seed further developments for a rich set of features for calculating FFTs. The library has the advantage over existing portable FFT libraries in that it is single-source, and there- fore removes the complexities that arise due to abundant use of pre-processor macros and auto-generated kernels to target different architectures. We exercise two SYCL-enabled compilers, Codeplay ComputeCpp and Intel's open-source LLVM project, to evaluate performance portability of our SYCL-based FFT on various hetero- geneous architectures.We provide studies comparing our portable library with highly optimized vendor-specific FFT libraries, and discuss potential sources hindering performance.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Impact of nuclear data covariance libraries on uncertainty quantification of sodium cooled fast reactor simulation

Uncertainty quantification in core modelling to assess reactor performance is a regular practice to identify design safety limits. Best-estimate plus uncertainty (BEPU) methods are commonly used to propagate uncertainties to core responses from input parameters, characterized by variance-covariance libraries. This study evaluates the impact of different covariance libraries on the uncertainty associated with core safety parameters and their propagation through reactor transient modelling for a metallic core (ABR-1000). The COMAC-1.0, COMMARA-2.0, and COMMARA-2.1 covariance libraries are used to propagate nuclear data uncertainties to neutron feedback coefficients using the Generalized Perturbation Theory, then through transient safety analyses to establish the confidence interval for safety performance of the reactor using stochastic sampling. The considered transients include Unprotected Transient Over Power and Unprotected Loss Of Flow. Most influential nuclide and reaction pairs in different variance-covariance libraries are identified and their impact on the uncertainty of safety parameters are evaluated. Significant differences were observed between uncertainties from COMAC compared to COMMARA libraries. Uncertainties from COMMARA libraries were consistently larger than COMAC for all cases. For structure, coolant density feedback coefficients and control rod worth, total nuclear data uncertainties were approximately 50% larger for COMMARA than COMAC. Differences were also observed in identification of top contributors of uncertainty in terms of reaction-cross sections. For instance, largest contribution to total uncertainty of radial expansion coefficient from COMMARA-2.0 and 2.1 originates from Na{sup 23} P1 Elastic cross section (0.81%) but from Pu{sup 239} Fission (0.53%) with COM C-1.0. Such differences are evaluated in this research for all quantities of interest. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Transient Efficiency Flexibility and Reliability Optimization of Coal-Fired Power Plants: Model-Predictive Control Library Development (Report)

This document pertains to the reporting requirements of DOE contract FE-0031767. The document covers the development of a model predictive control (MPC) library for implementing MPC for a general dynamic system. The library is implemented in a standardized manner in Matlab/Simulink, where core functions on model prediction, linearization and formulation and solution of a quadratic programming (QP) optimization problem is done in the core library - independent of the specific application. The user can provide the application-specific dynamic model in continuous and discrete time, to rapidly implement and test the MPC performance in a desktop simulation. The MPC optimization objective and constraints are also easily configured via an Excel file to allow iterative refinement as needed. Finally, the MPC library enables a rapid deployment to a target environment through auto C-code generation and containerization. The MPC library works seamlessly with the model based estimation (MBE) library to obtain the overall output feedback control solution. In this program, the reduced order model (ROM) of a coal-fired power plant (CFPP) is used to implement and test the MPC solution.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS1990

Characteristics of a semi-custom library development system

Standard cell and gate array macro libraries are in common use with workstation computer aided design (CAD) tools for application specific integrated circuit (ASIC) semi-custom application and have resulted in significant improvements in the overall design efficiencies as contrasted with custom design methodologies. Similar design methodology enhancements in providing for the efficient development of the library cells is an important factor in responding to the need for continuous technology improvement. The characteristics of a library development system that provides design flexibility and productivity enhancements for the library development engineer as he provides libraries in the state-of-the-art process technologies are presented. An overview of Gould's library development system ('Accolade') is also presented.

Yancey, M.↗
NASA NTRS1993

Performance measurements and operational characteristics of the Storage Tek ACS 4400 tape library with the Cray Y-MP EL

With over 5000 units sold, the Storage Tek Automated Cartridge System (ACS) 4400 tape library is currently the most popular large automated tape library. Based on 3480/90 tape technology, the library is used as the migration device ('nearline' storage) in high-performance mass storage systems. In its maximum configuration, one ACS 4400 tape library houses sixteen 3480/3490 tape drives and is capable of holding approximately 6000 cartridge tapes. The maximum storage capacity of one library using 3480 tapes is 1.2 TB and the advertised aggregate I/O rate is about 24 MB/s. This paper reports on an extensive set of tests designed to accurately assess the performance capabilities and operational characteristics of one STK ACS 4400 tape library holding approximately 5200 cartridge tapes and configured with eight 3480 tape drives. A Cray Y-MP EL2-256 was configured as its host machine. More than 40,000 tape jobs were run in a variety of conditions to gather data in the areas of channel speed characteristics, robotics motion, time taped mounts, and timed tape reads and writes.

Hull, Gary↗
NASA NTRS1993

Issues for bringing digital libraries into public use

In much the same way that the field of artificial intelligence produced a cult which fervently believed that computers would soon think like human beings, the existence of electronic books has resurrected the paperless society as a utopian vision to some, an apocalyptic horror to others. In this essay we have attempted to provide realistic notions of what digital libraries are likely to become if they are a popular success. E-books are capable of subsuming most of the media we use today and have the potential for added functionality by being interactive. The environmental impact of having millions more computers will be offset to some degree, perhaps even exceeded, by the fact that televisions, stereos, VCR's, CD players, newspapers, magazines, and books will become part of the computer system or be made redundant. On the whole, large-scale use of digital libraries is likely to be a winning proposition. Whether or not this comes to pass depends on the directions taken by today's researchers and software developers. By involving the public, the effort being put into digital libraries can be leveraged into something which is big enough to make a real change for the better. If digital libraries remain the exclusive property of government, universities, and large research firms, then large parts of the world will remain without digital libraries for years to come, just as they have remained without digital phone service for far too long. If software companies try to scuttle the project by patenting crucial algorithms and using proprietary data formats, all of us will suffer. Let us reverse the errors of the past and create a truly open digital library system.

Flater, David W.↗
NASA NTRS1994

The virtual library: Coming of age

With the high speed networking capabilities, multiple media options, and massive amounts of information that exist in electronic format today, the concept of a 'virtual' library or 'library without walls' is becoming viable. In virtual library environment, the information processed goes beyond the traditional definition of documents to include the results of scientific and technical research and development (reports, software, data) recorded in any format or media: electronic, audio, video, or scanned images. Network access to information must include tools to help locate information sources and navigate the networks to connect to the sources, as well as methods to extract the relevant information. Graphical User Interfaces (GUI's) that are intuitive and navigational tools such as Intelligent Gateway Processors (IGP) will provide users with seamless and transparent use of high speed networks to access, organize, and manage information. Traditional libraries will become points of electronic access to information on multiple medias. The emphasis will be towards unique collections of information at each library rather than entire collections at every library. It is no longer a question of whether there is enough information available; it is more a question of how to manage the vast volumes of information. The future equation will involve being able to organize knowledge, manage information, and provide access at the point of origin.

Hunter, Judy F.↗
NASA NTRS1999

A Robust and Scalable Software Library for Parallel Adaptive Refinement on Unstructured Meshes

The design and implementation of Pyramid, a software library for performing parallel adaptive mesh refinement (PAMR) on unstructured meshes, is described. This software library can be easily used in a variety of unstructured parallel computational applications, including parallel finite element, parallel finite volume, and parallel visualization applications using triangular or tetrahedral meshes. The library contains a suite of well-designed and efficiently implemented modules that perform operations in a typical PAMR process. Among these are mesh quality control during successive parallel adaptive refinement (typically guided by a local-error estimator), parallel load-balancing, and parallel mesh partitioning using the ParMeTiS partitioner. The Pyramid library is implemented in Fortran 90 with an interface to the Message-Passing Interface (MPI) library, supporting code efficiency, modularity, and portability. An EM waveguide filter application, adaptively refined using the Pyramid library, is illustrated.

Lou, John Z.↗
NASA NTRS2005

Three-Dimensional Audio Client Library

The Three-Dimensional Audio Client Library (3DAudio library) is a group of software routines written to facilitate development of both stand-alone (audio only) and immersive virtual-reality application programs that utilize three-dimensional audio displays. The library is intended to enable the development of three-dimensional audio client application programs by use of a code base common to multiple audio server computers. The 3DAudio library calls vendor-specific audio client libraries and currently supports the AuSIM Gold-Server and Lake Huron audio servers. 3DAudio library routines contain common functions for (1) initiation and termination of a client/audio server session, (2) configuration-file input, (3) positioning functions, (4) coordinate transformations, (5) audio transport functions, (6) rendering functions, (7) debugging functions, and (8) event-list-sequencing functions. The 3DAudio software is written in the C++ programming language and currently operates under the Linux, IRIX, and Windows operating systems.

Rizzi, Stephen A.↗
DOE OSTI2022

Testing nuclear data libraries with burnup for reactor applications

Recently US and European nuclear data libraries have been released, namely ENDF/B-VIII.0 and JEFF-3.3 libraries, which are the result of years of evaluation and validation work in both communities. Consequently, efforts have been made to validate the evaluations in calculations of integral experiments (critical benchmarks, ..etc). Nevertheless, less stringent testing and validation efforts were performed on burnup applications before releasing the libraries. The presented work focusses on the testing of these recent nuclear data libraries for burnup calculations on two benchmarks at the pin and at the assembly level. Monte-Carlo depletion calculations were performed using the VESTA 2.2 code. The K{sub ∞} results between nuclear data libraries are compared. A strong k{sub ∞} bias is observed with burnup using both JEFF-3.3 and JEFF-4T0 compared to all other libraries, and especially ENDF/B-VIII.0, consisting in a strong k{sub ∞} over-estimation at low burnup and a high under-estimation at high burnup. JEFF-3.3 {sup 235}U and {sup 239}Pu evaluations mainly explain this result, as well as fission yields. New {sup 235}U and {sup 239}Pu evaluations were proposed for JEFF-4T0, but they do not address totally the bias issue, even if JEFF-4T0 {sup 239}Pu allows slightly reducing the k{sub ∞} underestimation at high burnup.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

ENDF/B-VIII.1: Updated Nuclear Reaction Data Library for Science and Applications

The ENDF/B-VIII.1 library is the newest recommended evaluated nuclear data file by the Cross Section Evaluation Working Group (CSEWG) for use in nuclear science and technology applications, and incorporates advances made in the six years since the release of ENDF/B-VIII.0. Among key advances made are that the 239 Pu file was reevaluated by a joint international effort and that updated 16,18 O, 19 F, 28–30 Si, 50–54 Cr, 55 Mn, 54,56,57 Fe, 63,65 Cu, 139 La, 233,235,238 U, and 240,241 Pu neutron nuclear data from the IAEA coordinated INDEN collaboration were adopted. Over 60 neutron dosimetry cross sections were adopted from the IAEA's IRDFF-II library. In addition, the new library includes significant changes for 3 He, 6 Li, 9 Be, 51 V, 88 Sr, 103 Rh, 140,142 Ce, Dy, 181 Ta, Pt, 206–208 Pb, and 234,236 U neutron data, and new nuclear data for the photonuclear, charged-particle and atomic sublibraries. Numerous thermal neutron scattering kernels were reevaluated or provided for the very first time. On the covariance side, work was undertaken to introduce better uncertainty quantification standards and testing for nuclear data covariances. The significant effort to reevaluate important nuclides has reduced bias in the simulations of many integral experiments with particular progress noted for fluorine, copper, and stainless steel containing benchmarks. Data issues hindered the successful deployment of the previous ENDF/B-VIII.0 for commercial nuclear power applications in high burnup situations. These issues were addressed by improving the 238 U and 239,240,241 Pu evaluated data in the resonance region. The new library performance as a function of burnup is similar to the reference ENDF/B-VII.1 library.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

ECP libraries and tools: An overview

The Exascale Computing Project (ECP) Software Technology and Co-Design teams addressed the growing complexities in high-performance computing (HPC) by developing scalable software libraries and tools that leverage exascale system capabilities. As we enter the exascale era, the need for reusable, optimized software solutions that can handle the unique challenges posed by these systems becomes increasingly important. The primary challenges the ECP teams faced were to create software libraries and tools that are performant on exascale architectures and portable and usable across diverse hardware platforms. Efforts addressed issues related to concurrent execution, memory management, and the integration of heterogeneous computing resources, such as GPUs from multiple vendors. The ECP’s strategy involved a structured development process encompassing the creation, optimization, and deployment of software in collaboration with industry, academia, and national laboratories. The project was organized into several technical areas: co-design of domain-specific suites with target applications, programming models and runtimes, development tools, mathematical libraries, data and visualization tools, and software ecosystem and delivery mechanisms. ECP has successfully developed a large portfolio of software libraries and tools that demonstrate significant improvements in performance and scalability on exascale systems. These products have been integrated into the Department of Energy’s computing facilities, supporting various scientific applications and ensuring robust performance across different hardware setups. ECP advancements in software development for exascale computing highlight the importance of a collaborative and adaptive approach to handling next-generation HPC systems complexities. The lessons learned emphasize the need for continuous engagement with end-users and vendors, and the importance of maintaining a balance between innovation and practical implementation. Future efforts will focus on ensuring scalability, keeping pace with rapid hardware advancements, and further enhancing the interoperability and usability of the software ecosystem. In conclusion, subsequent articles in this special issue provide in-depth discussions and case studies into specific library and tool efforts.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Rapid Generation of Tandem Mass Spectrometry Reference Libraries Using Immediate Drop-on-Demand Liquid Handling Coupled to an Open Port Sampling Interface

In metabolomics, tandem MS (MS2) fragmentation libraries are important for the identification of unknown features, but generating these libraries takes many valuable hours of instrument and operator time. Here, an immediate droplet-on-demand/open port sampling interface was used to rapidly acquire tandem MS of standards arrayed in a 96-well plate format. A workflow was developed for automated, high-throughput control of MS2 library generation. Pure standard mass spectral libraries were collected on Orbitrap and Q-TOF mass spectrometers for 192 compounds using 6 different collision energies with a throughput of 4 and 7.8 s/spectrum, respectively. Libraries were acquired using different solvent additives, precursor adducts, and ion polarities.

Cahill, John [ORNL] (ORCID:0000000298664010)↗
DOE OSTI2022

Towards Superior Software Portability with SHAD and HPX C++ Libraries

As hardware architectures and software stacks complexity grows, development productivity, performance and software portability, quickly evolve from desirable features to actual needs. SHAD, the Scalable High-performance Algorithms and Data-structures C++ library is designed to mitigate these issues: it provides general purpose building blocks as well as high-level custom utilities, and offers a shared-memory programming abstraction which facilitates the programming of complex systems, scaling up to High Performance Computing clusters. SHAD’s portability is achieved through an abstract runtime interface, which decouples the upper layers of the library and hides the low level details of the underlying architecture. This layer enables SHAD to interface with different runtime/threading systems, e.g. Intel TBB and Global Memory and Threading (GMT). However, current backends targeting distributed systems, rely on a centralized controller which may possibly limit scalability up to hundreds of nodes and creates a network hot spot due to all to one communication for synchronization, and possibly resulting in degraded performance at high process counts. In this research, we explore HPX, the C++ standard library for parallelism and concurrency, as an additional backend in support of the SHAD library, and present the methodologies in support of local and remote task executions in SHAD with respect to HPX. Finally, we evaluate the proposed system by comparing against existing backends of SHAD and analyzing their performance on C++ Standard Template Library algorithms.

Wu, Nanmiao↗
DOE OSTI2024

Implementation and Synthesis of Math Library Functions

Achieving speed and accuracy for math library functions like exp, sin, and log is difficult. This is because low-level implementation languages like C do not help math library developers catch mathematical errors, build implementations incrementally, or separate high-level and low-level decision making. This ultimately puts development of such functions out of reach for all but the most experienced experts. To address this, we introduce MegaLibm, a domain-specific language for implementing, testing, and tuning math library implementations. MegaLibm is safe, modular, and tunable. Implementations in MegaLibm can automatically detect mathematical mistakes like sign flips via semantic wellformedness checks, and components like range reductions can be implemented in a modular, composable way, simplifying implementations. Once the high-level algorithm is done, tuning parameters like working precisions and evaluation schemes can be adjusted through orthogonal tuning parameters to achieve the desired speed and accuracy. MegaLibm also enables math library developers to work interactively, compiling, testing, and tuning their implementations and invoking tools like Sollya and type-directed synthesis to complete components and synthesize entire implementations. MegaLibm can express 8 state-of-the-art math library implementations with comparable speed and accuracy to the original C code, and can synthesize 5 variations and 3 from-scratch implementations with minimal guidance.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

TRIPOLI-4 neutronics calculations for IAEA-CRP benchmark of CEFR start-up tests using new libraries JEFF-3.3 and ENDF/B-VIII

Sodium-cooled Fast Reactors (SFR) are one of the promising Generation IV fast reactors. The China Experimental Fast Reactor (CEFR) is a 65 MWth pool-type SFR with a high neutron leakage core using high enriched uranium oxide fuel. The CEFR start-up tests in 2010 consist of series of neutronics experiments. Essential experimental data are available from the 2018 IAEA-CEFR-CRP benchmark document and useful for the validation of neutron transport codes and nuclear data libraries. The TRIPOLI-4 Monte Carlo transport code is a general-purpose neutronics code using continuous-energy nuclear data libraries. It has a rich validation database covering different computational and experimental benchmark data sets to assure the accuracy and credibility of numerical studies. Previous TRIPOLI-4 SFR core physics calculations used mainly MOX fuels. SFR control rod worth studies with TRIPOLI-4 were mainly on big-size cores. To test the modeling capability of TRIPOLI-4 on fuel loading patterns and on variable control rods positions for SFRs and to check recent nuclear data libraries, it is interesting to investigate the CEFR start-up tests in this work, including core states from subcritical to supercritical, control rods and rod group worth, point kinetics parameters, and radial foil activation measurements. TRIPOLI-4 calculation results using new data libraries JEFF-3.3, ENDF/B-VIII, and those of ENDF/B-VII.1 for different CEFR core states are reported here. By means of different options of TRIPOLI-4, control-rod SAs reactivity worth, point kinetics parameters, and radial {sup 237}Np(n,f) fission rate distribution were successfully evaluated. Both ENDF/B-VIII and JEFF-3.3 nuclear data libraries provided reliable results with a difference of 170 +/- 11 pcm in k{sub eff}.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Custom ORIGEN Libraries for Tritium Production in Discrete Burnable Absorbers

The ORIGEN module in SCALE is a common method of performing quick depletion and irradiation calculations of various materials in light-water reactors. However, these analyses depend on the neutron spectra in the ARP libraries being accurate for the situation presented. When using insertable burnable absorbers in a LWR with Li-6 in order to produce tritium, the neutron spectrum is highly different than those in the default libraries in ORIGEN, which leads to significant mispredictions in tritium production. Therefore, custom libraries are required, and when comparing to lattice physics codes (CASMO5 and WIMS10) with ORIGEN, using custom libraries is much more accurate than using the default libraries.

Ivanusa, Pavlo↗
DOE OSTI2024

Dimensionally Aligned Signal Projection Algorithms Library

Dimensionally aligned signal projection (DASP) algorithms are used to analyze fast Fourier transforms (FFTs) and generate visualizations that help focus on the harmonics for specific signals. At a high level, these algorithms extract the FFT segments around each harmonic frequency center, and then align them in equally sized arrays ordered by increasing distance from the base frequency. This allows for a focused view of the harmonic frequencies, which, among other use cases, can enable machine learning algorithms to more easily identify salient patterns. This work seeks to provide an effective open-source implementation of the DASP algorithms proposed by Vann et al. (2018) as well as functionality to help explore and test how these algorithms work with an interactive dashboard and signal-generation tool. The DASP library is implemented in Python and contains four types of algorithms for implementing these feature engineering techniques: fixed harmonically aligned signal projection (HASP), decimating HASP, interpolating HASP, and frequency aligned signal projection (FASP). Each algorithm returns a numerical array, which can be visualized as an image. The HASP algorithms are variations of the algorithms originally presented by Vann et al. (2018). For consistency, FASP, which is the terminology used for the short-time Fourier transform (STFT), has been implemented as part of the library to provide a similar interface to the STFT of the raw signal. Additionally, the library contains an algorithm to generate artificial signals with basic customizations such as the base frequency, sample rate, duration, number of harmonics, noise, and number of signals. Finally, the library provides multiple interactive visualizations, each of which is implemented using IPyWidgets and works in a Jupyter environment. A dashboard-style visualization is provided, which contains some common signal-processing visual components (signal, FFT, spectogram) updating in unison with the HASP functions (see Figure 1 below). Separate from the dashboard, an independent visualization is provided for each of the DASP algorithms as well as for the artifical signal generator. These visualizations are included in the library to aid in developing an intuitive understanding how the algorithms are affected by different input signals and parameter selections.

harmonics↗