Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Computer Programming”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

FY25 Report on Water NSTF Testing: Parametric and Accident Testing with Lower Tank Inlet

The Natural Convection Shutdown Heat Removal Test Facility (NSTF) at Argonne National Laboratory has continued to generate empirical validation data on the performance of water-based reactor cavity cooling system (RCCS) for seven years. This data is actively being used to support the development of passive decay heat removal systems for advanced reactors. Distinguishing this facility are 1) the large, ½ scale of the facility and 2) its governance under an NQA-1 qualified program for producing data of the highest pedigree for advanced reactor designers and regulators. In addition to the experimental activities discussed in this report, a computational modeling program continues to support the experimental program and further accuracy and understanding of the computational models. Together, the experimental and computational work create a mutually beneficial relationship integral to the overall program objective of advancing the understanding of the RCCS technology.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Quantum Computing Strategy 2026

Quantum computing (QC) is a rapidly maturing technology with the potential for revolutionary impacts on stockpile stewardship science and national security. Recent developments in fault-tolerant architectures have compressed vendor roadmaps, and predictions of a production-ready quantum computer by the mid-2030s are becoming increasingly credible. This strategy provides a roadmap for integrating QC into the Advanced Simulation and Computing (ASC) program by investing in four strategic focus areas: 1. Develop Capabilities in Mission-Relevant Quantum Applications: ASC will prioritize developing quantum-ready applications in mission areas that have shown significant promise for quantum advantage, including simulations of materials in extreme environments, nuclear dynamics, solving linear and nonlinear partial differential equations, and uncertainty quantification. These applications directly support stockpile stewardship science and modernization objectives. 2. Conduct R&D in Algorithms, Software, and Hardware: Sustained research into quantum algorithms, robust software tools, and quantum hardware is essential. ASC will develop efficient quantum algorithms; invest in quantum compilers, debuggers, and performance tools; and explore specialized quantum hardware tailored to NNSA’s unique requirements. 3. Engage with Vendors and Partners: Early and active collaboration with commercial quantum hardware vendors and academic partners is critical. Through testbeds, co-design agreements, and quantum demonstration facilities, ASC will influence hardware design, gain early access to emerging technologies, and ensure that quantum platforms evolve to meet mission needs. 4. Build Knowledge, Experience, and Workforce: Expanding and upskilling the quantum-trained workforce is essential to long-term success. This includes hiring, internal training, university outreach, and postdoctoral support to ensure ASC maintains the expertise required to operate, program, and integrate quantum systems as they become available. While quantum computing will never replace classical computing, it has the potential to solve certain problems with speed and accuracy that would be unachievable using any conceivable classical high-performance computing (HPC) system. By investing strategically in QC, ASC will help propel the emergent QC industry, maintain U.S. technological leadership, ensure mission readiness, and position itself to rapidly adopt quantum technologies as they mature.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

The Role of the Digital Thread for Security, Resilience, and Adaptability in Manufacturing

The manufacturing sector is dramatically evolving with recent technical and digital advances. Among these, the digital thread is revolutionizing manufacturing operations well beyond the historic downloading of programs to computer numerically controlled (CNC) machine tools and the uploading of edited programs from CNC controllers. The digital thread is “the communication framework that enables a connected data flow and integrated view of the asset’s data throughout its lifecycle across traditionally siloed functional perspectives” (Leiva 2016). It is pervasive around the world and has changed the way society operates; for example, map apps are used to provide time-optimal directions to destinations using real-time traffic feedback. The digital thread makes it possible to digitally verify products, ensure that the latest technologies are deployed across the entire manufacturing ecosystem, and strengthen the workforce by making each individual more efficient and effective. These three foundational advanced manufacturing concepts will ensure a next-generation secure, resilient, and adaptable manufacturing ecosystem and sustainably support current and future needs of society (Lynn et al. 2020).

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2014

Computing single step operators of logic programming in radial basis function neural networks

Logic programming is the process that leads from an original formulation of a computing problem to executable programs. A normal logic program consists of a finite set of clauses. A valuation I of logic programming is a mapping from ground atoms to false or true. The single step operator of any logic programming is defined as a function (T{sub p}:I→I). Logic programming is well-suited to building the artificial intelligence systems. In this study, we established a new technique to compute the single step operators of logic programming in the radial basis function neural networks. To do that, we proposed a new technique to generate the training data sets of single step operators. The training data sets are used to build the neural networks. We used the recurrent radial basis function neural networks to get to the steady state (the fixed point of the operators). To improve the performance of the neural networks, we used the particle swarm optimization algorithm to train the networks.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Argonne Leadership Computing Facility (2020 Operational Assessment Report)

In 2004, the U.S. Department of Energy’s (DOE’s) Advanced Scientific Computing Research (ASCR) program founded the Leadership Computing Facility (LCF) with a mission to provide the world’s most advanced computational resources to the open science community. The LCF is a huge investment in the nation’s scientific and technological future, inspired by a growing demand for capability computing and its impact on science and engineering.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

2023 Operational Assessment Report: Argonne Leadership Computing Facility

In 2004, the U.S. Department of Energy’s (DOE’s) Advanced Scientific Computing Research (ASCR) program established the Leadership Computing Facility (LCF) with a mission to provide the world’s most advanced computational resources to the open science community. The LCF is a huge investment in the nation’s scientific and technological future, inspired by a growing demand for large-scale computing and its impact on science and engineering. The LCF operates two world-class centers in support of open science at Argonne National Laboratory (Argonne) and at Oak Ridge National Laboratory (Oak Ridge) and deploys diverse machines that are among the most powerful systems in the world today. The LCF ranks among the top U.S. scientific facilities delivering impactful science. The work performed at these centers informs policy decisions and advances innovations in far-reaching areas such as energy assurance, ecological sustainability, and global security. The leadership-class systems at Argonne and Oak Ridge operate around the clock every day of the year. The high level of services these centers provide and the exceptional science they produce justify their existence to the DOE Office of Science and the U.S. Congress

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

FY18 ASC P&EM L2 Milestone 6362: Local Failure Local Recovery (LFLR) Resiliency for Asynchronous Many Task (AMT) Programming and Execution Models: Executive Summary

The overall goal of this work was to perform an in-depth analysis of resilience schemes adapted to the Asynchronous Many-Task (AMT) programming and execution model with the goal of informing the Sandia Advanced Simulation and Computing (ASC) program's application development strategy for next generation platforms (NGPs).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

FY18 ASC P&EM L2 Milestone 6362: Local Failure Local Recovery (LFLR) Resiliency for Asynchronous Many Task (AMT) Programming and Execution Models: Executive Summary

The overall goal of this work was to perform an in-depth analysis of resilience schemes adapted to the Asynchronous Many-Task (AMT) programming and execution model with the goal of informing the Sandia Advanced Simulation and Computing (ASC) program's application development strategy for next generation platforms (NGPs).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

FY18 ASC CSSE L2 Milestone 6362: Local Failure Local Recovery (LFLR) Resiliency for Asynchronous Many Task (AMT) Programming and Execution Models

The overall goal of this work was to perform an in-depth analysis of resilience schemes adapted to the Asynchronous Many-Task (AMT) programming and execution model with the goal of informing the Sandia Advanced Simulation and Computing (ASC) program's application development strategy for next generation platforms (NGPs).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

BioXTAS RAW 2 : new developments for a free open-source program for small-angle scattering data reduction and analysis

BioXTAS RAW is a free open-source program for reduction, analysis and modelling of biological small-angle scattering data. Here, the new developments in RAW version 2 are described. These include improved data reduction using pyFAI ; updated automated Guinier fitting and D max finding algorithms; automated series ( e.g. size-exclusion chromatography coupled small-angle X-ray scattering or SEC-SAXS) buffer- and sample-region finding algorithms; linear and integral baseline correction for series; deconvolution of series data using regularized alternating least squares ( REGALS ); creation of electron-density reconstructions using electron density via solution scattering ( DENSS ); a comparison window showing residuals, ratios and statistical comparisons between profiles; and generation of PDF reports with summary plots and tables for all analysis. Furthermore, there is now a RAW API, which can be used without the graphical user interface (GUI), providing full access to all of the functionality found in the GUI. In addition to these new capabilities, RAW has undergone significant technical updates, such as adding Python 3 compatibility, and has entirely new documentation available both online and in the program.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Benefits of utilizing CellProfiler as a characterization tool for U–10Mo nuclear fuel

Automated image processing techniques have the potential to aid in the performance evaluation of nuclear fuels by eliminating judgment calls that may vary from person-to-person or sample-to-sample. Analysis of in-core fuel performance is required for design and safety evaluations related to almost every aspect of the nuclear fuel cycle. This study presents a methodology for assessing the quality of uranium–molybdenum fuel images and describes image analysis routines designed for the characterization of several important microstructural properties. The analyses are performed in CellProfiler, an open-source program designed to enable biologists without training in computer vision or programming to automatically extract cellular measurements from large image sets. The quality metric scores an image based on three parameters: the illumination gradient across the image, the overall focus of the image, and the fraction of the image that contains scratches. The metric presents the user with the ability to ‘pass’ or ‘fail’ an image based on a reproducible quality score. Passable images may then be characterized through a separate CellProfiler pipeline, which enlists a variety of common image analysis techniques. The results demonstrate the ability to reliably pass or fail images based on the illumination, focus, and scratch fraction of the image, followed by automatic extraction of morphological data with respect to fission gas voids, interaction layers, and grain boundaries. - Graphical abstract: Display Omitted - Highlights: • A technique is developed to score U–10Mo FIB-SEM image quality using CellProfiler. • The pass/fail metric is based on image illumination, focus, and area scratched. • Automated image analysis is performed in pipeline fashion to characterize images. • Fission gas void, interaction layer, and grain boundary coverage data is extracted. • Preliminary characterization results demonstrate consistency of the algorithm.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

GnuForPlot Graphics

Gnuforplot Graphics is a Fortran90 program designed to generate two and three dimensional plots of data on a personal computer. The program uses calls to the open source code Gnuplot to generate the plots. Two Fortran90 programs have been written to use the Gnuplot graphics capabilities. The first program, named Plotsetup.f90 reads data from output files created by either the Stadium or LeachXS/Orchestra modeling codes and saves the data in arrays for plotting. This program then calls Gnuforplot which takes the data array along with user specified parameters to set plot specifications and issues Gnuplot commands that generate the screen plots. The user can view the plots and optionally save copies in jpeg format.

Flach, GregoryP.↗
DOE OSTI2018

Directive-Based, High-Level Programming and Optimizations for High-Performance Computing with FPGAs

Reconfigurable architectures like Field Programmable Gate Arrays (FPGAs) have been used for accelerating computations from several domains because of their unique combination of flexibility, performance, and power efficiency. However, FPGAs have not been widely used for high-performance computing, primarily because of their programming complexity and difficulties in optimizing performance. In this paper, we present a directive-based, high-level optimization framework for high-performance computing with FPGAs, built on top of an OpenACC-to-FPGA translation framework called OpenARC. We propose directive extensions and correspond- ing compile-time optimization techniques to enable the compiler to generate more efficient FPGA hardware configuration files. Empirical evaluation of the proposed framework on an Intel Stratix V with five OpenACC benchmarks from various application domains shows that FPGA-specific optimizations can lead to significant increases in performance across all tested applications. We also demonstrate that applying these high-level directive-based optimizations can allow OpenACC applications to perform similarly to lower-level OpenCL applications with hand-written FPGA-specific optimizations, and offer runtime and power performance benefits compared to CPUs and GPUs.

Lambert, Jacob↗
DOE OSTI2015

Advanced Technology System Scheduling Governance Model

In the fall of 2005, the Advanced Simulation and Computing (ASC) Program appointed a team to formulate a governance model for allocating resources and scheduling the stockpile stewardship workload on ASC capability systems. This update to the original document takes into account the new technical challenges and roles for advanced technology (AT) systems and the new ASC Program workload categories that must be supported. The goal of this updated model is to effectively allocate and schedule AT computing resources among all three National Nuclear Security Administration (NNSA) laboratories for weapons deliverables that merit priority on this class of resource. The process outlined below describes how proposed work can be evaluated and approved for resource allocations while preserving high effective utilization of the systems. This approach will provide the broadest possible benefit to the Stockpile Stewardship Program (SSP).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Final Report National Laboratory Professional Development Workshop for Underrepresented Participants

The 2013 CMD-IT National Laboratories Professional Development Workshop for Underrepresented Participants (CMD-IT NLPDev 2013) was held at the Oak Ridge National Laboratory campus in Oak Ridge, TN. from June 13 - 14, 2013. Sponsored by the Department of Energy (DOE) Advanced Scientific Computing Research Program, the primary goal of these workshops is to provide information about career opportunities in computational science at the various national laboratories and to mentor the underrepresented participants through community building and expert presentations focused on career success. This second annual workshop offered sessions to facilitate career advancement and, in particular, the strategies and resources needed to be successful at the national laboratories.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2023

Basic Research Needs in Quantum Computing and Networking

Employing quantum mechanical resources in computing, information processing, and networking opens the door to potential exponential advantages over classical counterparts. However, quantifying and realizing such advantages poses extensive scientific and engineering challenges. Department of Energy (DOE) investments have driven steady progress in addressing such challenges. Recently developed quantum algorithms offer asymptotic exponential advantages in speed or accuracy for fundamental scientific problems. These problems include simulating physical systems, solving systems of linear equations, differential equations, and optimization problems. Empirical demonstrations on nascent quantum hardware suggest better performance on contrived computational tasks than classical analogs. However, the requirements for a quantum computer or network to demonstrate an end-to-end rigorously quantifiable performance improvement over classical analogs remains a grand challenge, especially for problems of practical value. In particular, what will be required for quantum technology to ultimately exhibit scalable, rigorous, and transformative performance advantages for practical applications? In July 2023, DOE’s Advanced Scientific Computing Research program in the Office of Science convened the Workshop on Basic Research Needs in Quantum Computing and Networking, where major opportunities and grand challenges were identified. The following five priority research directions (PRDs) were identified as a result of the workshop.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

VeloxChem: A Python-driven density-functional theory program for spectroscopy simulations in high-performance computing environments

An open-source program named VeloxChem has been developed for the calculation of electronic real and complex linear response functions at the levels of Hartree–Fock and Kohn–Sham density functional theories. With an object-oriented program structure written in a Python/C++ layered fashion, VeloxChem enables time-efficient prototyping of novel scientific approaches without sacrificing computational efficiency, so that molecular systems involving up to and beyond 500 second-row atoms (or some 10,000 contracted and in part diffuse Gaussian basis functions) can be routinely addressed. In addition, VeloxChem is equipped with a polarizable embedding scheme for the treatment of the classical electrostatic interactions with an environment that in turn is modeled by atomic site charges and polarizabilities. The underlying hybrid message passing interface (MPI)/open multiprocessing (OpenMP) parallelization scheme makes VeloxChem suitable for execution in high-performance computing cluster environments, showing even slightly beyond linear scaling for the Fock matrix construction with use of up to 16,384 central processing unit (CPU) cores. An efficient—with respect to convergence rate and overall computational cost—multifrequency/gradient complex linear response equation solver enables calculations not only of conventional spectra, such as visible/ultraviolet/X-ray electronic absorption and circular dichroism spectra, but also time-resolved linear response signals as due to ultra-short weak laser pulses.

97 MATHEMATICS AND COMPUTING↗