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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

High Performance Object-Oriented Scientific Programming in Fortran 90

We illustrate how Fortran 90 supports object-oriented concepts by example of plasma particle computations on the IBM SP. Our experience shows that Fortran 90 and object-oriented methodology give high performance while providing a bridge from Fortran 77 legacy codes to modern programming principles. All of our object-oriented Fortran 90 codes execute more quickly thatn the equeivalent C++ versions, yet the abstraction modelling capabilities used for scentific programming are comparably powereful.

Scientific Programming↗
NASA NTRS2007

Space Shuttle Debris Impact Tool Assessment Using the Modern Design of Experiments

Complex computer codes are used to estimate thermal and structural reentry loads on the Shuttle Orbiter induced by ice and foam debris impact during ascent. Such debris can create cavities in the Shuttle Thermal Protection System. The sizes and shapes of these cavities are approximated to accommodate a code limitation that requires simple "shoebox" geometries to describe the cavities -- rectangular areas and planar walls that are at constant angles with respect to vertical. These approximations induce uncertainty in the code results. The Modern Design of Experiments (MDOE) has recently been applied to develop a series of resource-minimal computational experiments designed to generate low-order polynomial graduating functions to approximate the more complex underlying codes. These polynomial functions were then used to propagate cavity geometry errors to estimate the uncertainty they induce in the reentry load calculations performed by the underlying code. This paper describes a methodological study focused on evaluating the application of MDOE to future operational codes in a rapid and low-cost way to assess the effects of cavity geometry uncertainty.

DeLoach, Richard↗
DOE OSTI2022

Kinetic theory of particle-in-cell simulation plasma and the ensemble averaging technique

Abstract We derive the kinetic theory of fluctuations in physically and numerically stable particle-in-cell (PIC) simulations of electrostatic plasmas. The starting point is the single-time correlation at the start of the simulation between the statistical fluctuations of the weighted densities of macroparticle centers in the plasma particle phase-space. The fluctuations are associated with different initial conditions, typically due to the random initial conditions (in velocity space) of the macroparticles/simulation plasma, assigned according to their initial distribution of probability. The single-time correlations at all time steps and in each spatial grid cell are then determined from the Laplace–Fourier transforms of the discretized Klimontovich-like equation for the macroparticles and Maxwell’s equations for the fields, as computed by modern PIC codes. We recover the expressions for the electrostatic field and the plasma particle density fluctuation autocorrelation spectra as well as the kinetic equations describing the average evolution of PIC-simulated plasma particles, first derived by Langdon (1970b Proc. 4th Conf. Numerical Simulation of Plasmas ) using a test macroparticle approach perturbing a discretized Vlasovian plasma and then averaging the obtained physical quantity over the initial macroparticle velocity distribution. We generalize and extend these results to the modern algorithms in PIC codes using arbitrary macroparticle weights. Analytical estimates of statistical fluctuation amplitudes are derived as a function of the plasma simulation parameters, using the central limit theorem in the limit of a large number of macroparticles per cell. The theory is then used to analyze the ensemble averaging technique of PIC simulations where statistical averages are performed over ensembles of PIC simulations, modeling the same plasma physics problem but using different statistical realizations of the initial distribution functions of the macroparticles. This method is illustrated by linear Landau damping uncovering (from noise, which is usually considered numerical) the physical fluctuations driven by a single small amplitude electrostatic wave perturbing a PIC simulation plasma in equilibrium.

fluctuations correlations↗
DOE OSTI2022

Modernization efforts for the R -Matrix code SAMMY [Abstract]

The R-Matrix code SAMMY is a widely used nuclear data evaluation code focused on the resolved range, which includes corrections for experimental effects. The code is still mostly written in Fortran 77, and uses a memory management system suitable for the time of its initial writing (1984). A modernization effort is under way to bring the code in-line with modern software development practices. A continuous-integration testing framework was added, automating the large existing set of test cases. It is run on every commit. The memory management was updated to current standard practices suitable for modern software analysis tools. The code can be obtained from https://code.ornl.gov/RNSD/SAMMY. The resonance parameters and covariance information are now stored in C++ objects shared by SAMMY and AMPX, the processing code that generates nuclear data libraries for SCALE. This allows for easier maintenance and access to the resonance parameters inside and outside of SAMMY. This feature is already used by accessing and changing parameters in memory in the Bayesian Monte Carlo Evaluation Framework for Cross Sections Nuclear Data and Integral Benchmark Experiments project, Further plans include the switch to the ENDF reading and writing routines in AMPX, as these routines are more robust, easier to maintain, and support more features. Of note here is support for the new GNDS format. Previously it wasn’t easy to share the full covariance matrix for evaluations containing more than one isotope due to limitations on the ENDF format; this is now supported in GNDS. The data are currently available in a binary SAMMY format and can be exported to GNDS to make them more widely available and sharable. The next step will be to use the same resonance processing code at 0K in AMPX and SAMMY as one of the available Reich-Moore R-Matrix formalism. The first step toward this goal is to isolate the reconstruction into a module that takes resonance parameters as its input and does not depend on SAMMY global parameters. This goal has been achieved and it should now be possible to more easily change the resonance formalism and add enhancements as the Phenomenological R-Matrix parameterization of direct, doorway, and compound nuclear reactions discussed elsewhere on this conference. This concerted modernization and enhancement effort provides multiple advantages to the nuclear data community. It will allow parameter optimization using enhanced formalisms, including experimental effects, that better match complex experimental data. Then those evaluated parameters can immediately be passed off to AMPX to be reconstructed with the exact same cross section model and be put into a data library for subsequent testing using SCALE and the Valid Benchmark suite or other suitable benchmark suites.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Implementing the National Initiative for the Advancement of Building Codes (NIABC)

On June 1, 2022, the White House launched the National Initiative to Advance Building Codes (NIABC): a whole-government initiative to assure alignment of, and minimum standards for, all building activity funded through federal agency programs. This includes ensuring the use of current consensus-based model building and energy codes and standards, with a focus on underserved and vulnerable communities. The initiative will accelerate the adoption of modern building codes to improve resiliency, create good-paying jobs, and lower energy bills.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2026

EVs-at-RISC: A Secure and Resilient Interoperable SCM Control System Architecture for Electric Vehicle’s-at-Scale (Final Technical Report)

The EVs-at-RISC project was a five-year research, development, and demonstration initiative to create foundational tools for utility-scale fleet aggregation and Smart Charge Management (SCM) of Electric Vehicles (EV), Electric Vehicle Charging Infrastructure (EVCI), and related Distributed Energy Resources (DER). Rather than seeking to develop and demonstrate highly perfected SCM algorithms and control strategies, this project instead focused on creating foundational software solutions that enable unprecedented digital interoperability across the communications technologies and vendor platforms used to manage EV , EVCI, and DER, as well as existing energy management infrastructure operated by utilities, grid operators, and aggregators. This project then extends these novel interoperability capabilities to develop and deploy powerful middleware abstractions across grid edge networks and EVCI/DER fleet aggregations incorporating modern software tools and best practices, such as CI/CD, to bring the immense capabilities of infrastructure-as-code and policy-as-code to modern grid edge network environments. This addresses the foremost systemic issues preventing realization of any net operational benefits from scaled deployment of behind-the-meter EV, EVCI, and DER assets in electric power grids and markets today. The results of this approach and project unlock massive potential for new SCM capabilities to be easily prototyped, evaluated, and deployed at-scale within the existing grid edge network infrastructure and EVCI/DER technology ecosystem. The EVs-at-RISC project achieves this by extending Open Field Message Bus (OpenFMB), a conceptual model for digital interoperability and distributed intelligence in traditional front-of-meter utility SCADA networks, validating our hypothesis that OpenFMB could be similarly used to solve systemic digital interoperability issues in behind-the-meter environments and unlock real-world utility-scale SCM capabilities without requiring any new proprietary vendor solutions or significant infrastructure reconfiguration.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2016

ARCADIA and advanced methods licensing and implementation update

AREVA NP is implementing a consistent code and methodology suite for core design and safety analysis, based on first principles modeling with an extremely broad verification and validation data base. Thanks to the high computational power increase in the last decades methods' development and application now include capabilities that were not available in the past. An example is the 3D coupled transient core power distribution characterization, which allows more realistic modeling of plant behavior, removal of inaccuracies by high resolution and access to local information. Another one is the progressive replacement, respectively complement of old deterministic methods by order statistics. This paper provides an update of the current licensing and implementation status of the main AREVA NP new codes (ARCADIA, GALILEO, S-RELAP5) and their associated advanced methods for PWR applications. ARCADIA is the state-of-the-art neutron transport/ thermal-hydraulics (TH)/ thermal-mechanics (TM) code system for PWR applications. Development is completed, implementation started in France, the Netherlands, the U.S.A. and other countries. The extension to BWR applications is on-going. GALILEO is the state-of-the-art fuel rod performance code for PWR and BWR applications. Development is completed, implementation started in France and the U.S.A. S-RELAP5 is a thermal-hydraulic code that has been completely re-coded and modernized in terms of software architecture. S-RELAP5 has been successfully coupled with ARCADIA. It is shown that advanced codes and integrated methods for accident analysis are keys for extending the fuel cycle design space.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1990

The Helicopter Antenna Radiation Prediction Code (HARP)

The first nine months effort in the development of a user oriented computer code, referred to as the HARP code, for analyzing the radiation from helicopter antennas is described. The HARP code uses modern computer graphics to aid in the description and display of the helicopter geometry. At low frequencies the helicopter is modeled by polygonal plates, and the method of moments is used to compute the desired patterns. At high frequencies the helicopter is modeled by a composite ellipsoid and flat plates, and computations are made using the geometrical theory of diffraction. The HARP code will provide a user friendly interface, employing modern computer graphics, to aid the user to describe the helicopter geometry, select the method of computation, construct the desired high or low frequency model, and display the results.

Klevenow, F. T.↗
DOE OSTI2021

Revisiting Huffman Coding: Toward Extreme Performance on Modern GPU Architectures

Today's high-performance computing (HPC) applications are producing vast volumes of data, which are challenging to store and transfer efficiently during the execution, such that data compression is becoming a critical technique to mitigate the storage burden and data movement cost. Huffman coding is arguably the most efficient Entropy coding algorithm in information theory, such that it could be found as a fundamental step in many modern compression algorithms such as DEFLATE. On the other hand, today's HPC applications are more and more relying on the accelerators such as GPU on supercomputers, while Huffman encoding suffers from low throughput on GPUs, resulting in a significant bottleneck in the entire data processing. In this paper, we propose and implement an efficient Huffman encoding approach based on modern GPU architectures, which addresses two key challenges: (1) how to parallelize the entire Huffman encoding algorithm, including codebook construction, and (2) how to fully utilize the high memory-bandwidth feature of modern GPU architectures. The detailed contribution is fourfold. (1) We develop an efficient parallel codebook construction on GPUs that scales effectively with the number of input symbols. (2) We propose a novel reduction based encoding scheme that can efficiently merge the codewords on GPUs. (3) We optimize the overall GPU performance by leveraging the state-of-the-art CUDA APIs such as Cooperative Groups. (4) We evaluate our Huffman encoder thoroughly using six real-world application datasets on two advanced GPUs and compare with our implemented multi-threaded Huffman encoder. Experiments show that our solution can improve the encoding throughput by up to 5.0x and 6.8x on NVIDIA RTX 5000 and V100, respectively, over the state-of-the-art GPU Huffman encoder, and by up to 3.3x over the multi-thread encoder on two 28-core Xeon Platinum 8280 CPUs.

Tian, Jiannan↗
DOE OSTI2021

Revisiting Huffman Coding: Toward Extreme Performance on Modern GPU Architectures

Today's high-performance computing (HPC) applications are producing vast volumes of data, which are challenging to store and transfer efficiently during the execution, such that data compression is becoming a critical technique to mitigate the storage burden and data movement cost. Huffman coding is arguably the most efficient Entropy coding algorithm in information theory, such that it could be found as a fundamental step in many modern compression algorithms such as DEFLATE. On the other hand, today's HPC applications are more and more relying on the accelerators such as GPU on supercomputers, while Huffman encoding suffers from low throughput on GPUs, resulting in a significant bottleneck in the entire data processing. In this paper, we propose and implement an efficient Huffman encoding approach based on modern GPU architectures, which addresses two key challenges: (1) how to parallelize the entire Huffman encoding algorithm, including codebook construction, and (2) how to fully utilize the high memory-bandwidth feature of modern GPU architectures. The detailed contribution is fourfold. (1) We develop an efficient parallel codebook construction on GPUs that scales effectively with the number of input symbols. (2) We propose a novel reduction based encoding scheme that can efficiently merge the codewords on GPUs. (3) We optimize the overall GPU performance by leveraging the state-of-the-art CUDA APIs such as Cooperative Groups. (4) We evaluate our Huffman encoder thoroughly using six real-world application datasets on two advanced GPUs and compare with our implemented multithreaded Huffman encoder. Experiments show that our solution can improve the encoding throughput by up to 5.0× and 6.8× on NVIDIA RTX 5000 and V100, respectively, over the state-of-the-art GPU Huffman encoder, and by up to 3.3× over the multithread encoder on two 28-core Xeon Platinum 8280 CPUs.

Tian, Jiannan↗
DOE OSTI2023

Fast correlation function calculator: A high-performance pair-counting toolkit

A novel high-performance exact pair-counting toolkit called fast correlation function calculator (FCFC) is presented. With the rapid growth of modern cosmological datasets, the evaluation of correlation functions with observational and simulation catalogues has become a challenge. High-efficiency pair-counting codes are thus in great demand. We introduce different data structures and algorithms that can be used for pair-counting problems, and perform comprehensive benchmarks to identify the most efficient algorithms for real-world cosmological applications. We then describe the three levels of parallelisms used by FCFC, SIMD, OpenMP, and MPI, and run extensive tests to investigate the scalabilities. Finally, we compare the efficiency of FCFC with alternative pair-counting codes. The data structures and histogram update algorithms implemented in FCFC are shown to outperform alternative methods. FCFC does not benefit greatly from SIMD because the bottleneck of our histogram update algorithm is mainly cache latency. Nevertheless, the efficiency of FCFC scales well with the numbers of OpenMP threads and MPI processes, even though speedups may be degraded with over a few thousand threads in total. FCFC is found to be faster than most (if not all) other public pair-counting codes for modern cosmological pair-counting applications.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Automated Fortran–C++ Bindings for Large-Scale Scientific Applications

Although many active scientific codes use modern Fortran, most contemporary scientific software libraries are implemented in C and C++. Providing their numerical, algorithmic, or data management features to Fortran codes requires writing and maintaining substantial amounts of glue code. This paper introduces a tool that automatically generates native Fortran 2003 interfaces to C and C++ libraries. The tool supports C++ features that have no direct Fortran analog, such as templated functions and exceptions. Finally, a set of simple examples demonstrates the utility and scope of the tool, and timing measurements with a mock numerical library illustrate the minimal performance impact of the generated wrapper code.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1991

Software reengineering

Today's software systems generally use obsolete technology, are not integrated properly with other software systems, and are difficult and costly to maintain. The discipline of reverse engineering is becoming prominent as organizations try to move their systems up to more modern and maintainable technology in a cost effective manner. JSC created a significant set of tools to develop and maintain FORTRAN and C code during development of the Space Shuttle. This tool set forms the basis for an integrated environment to re-engineer existing code into modern software engineering structures which are then easier and less costly to maintain and which allow a fairly straightforward translation into other target languages. The environment will support these structures and practices even in areas where the language definition and compilers do not enforce good software engineering. The knowledge and data captured using the reverse engineering tools is passed to standard forward engineering tools to redesign or perform major upgrades to software systems in a much more cost effective manner than using older technologies. A beta vision of the environment was released in Mar. 1991. The commercial potential for such re-engineering tools is very great. CASE TRENDS magazine reported it to be the primary concern of over four hundred of the top MIS executives.

Fridge, Ernest M., III↗
DOE OSTI2025

Accelerating Control Systems with GitOps: A Path to Automation and Reliability

GitOps is a foundational approach for modernizing infrastructure by leveraging Git as the single source of truth for declarative configurations. The poster explores how GitOps transforms traditional control system infrastructure, services and applications by enabling fully automated, auditable, and version-controlled infrastructure management. Cloud-native and containerized environments are shifting the ecosystem not only in the IT industry but also within the computational science field, as is the case of CERN and Diamond Light Source among other Accelerator/Science facilities which are slowly shifting towards modern software and infrastructure paradigms. The ACORN project, which aims to modernize Fermilab’s control system infrastructure and software is implementing proven best-practices and cutting-edge technology standards including GitOps, containerization, infrastructure as code and modern data pipelines for control system data acquisition and the inclusion of AI/ML in our accelerator complex.

Gonzalez, M. [Fermilab]↗
NASA NTRS1993

Software engineering

Today's software systems generally use obsolete technology, are not integrated properly with other software systems, and are difficult and costly to maintain. The discipline of reverse engineering is becoming prominent as organizations try to move their systems up to more modern and maintainable technology in a cost effective manner. The Johnson Space Center (JSC) created a significant set of tools to develop and maintain FORTRAN and C code during development of the space shuttle. This tool set forms the basis for an integrated environment to reengineer existing code into modern software engineering structures which are then easier and less costly to maintain and which allow a fairly straightforward translation into other target languages. The environment will support these structures and practices even in areas where the language definition and compilers do not enforce good software engineering. The knowledge and data captured using the reverse engineering tools is passed to standard forward engineering tools to redesign or perform major upgrades to software systems in a much more cost effective manner than using older technologies. The latest release of the environment was in Feb. 1992.

Fridge, Ernest M., III↗
DOE OSTI2021

GR-Athena++: Puncture Evolutions on Vertex-centered Oct-tree Adaptive Mesh Refinement

Numerical relativity is central to the investigation of astrophysical sources in the dynamical and strong-field gravity regime, such as binary black hole and neutron star coalescences. Current challenges set by gravitational-wave and multimessenger astronomy call for highly performant and scalable codes on modern massively parallel architectures. We present GR-Athena++, a general-relativistic, high-order, vertex-centered solver that extends the oct-tree, adaptive mesh refinement capabilities of the astrophysical (radiation) magnetohydrodynamics code Athena++. To simulate dynamical spacetimes, GR-Athena++ uses the Z4c evolution scheme of numerical relativity coupled to the moving puncture gauge. We demonstrate stable and accurate binary black hole merger evolutions via extensive convergence testing, cross-code validation, and verification against state-of-the-art effective-one-body waveforms. GR-Athena++ leverages the task-based parallelism paradigm of Athena++ to achieve excellent scalability. We measure strong-scaling efficiencies above 95% for up to ~1.2 × 10 4 CPUs and excellent weak scaling is shown up to ~10 5 CPUs in a production binary black hole setup with adaptive mesh refinement. GR-Athena++ thus allows for the robust simulation of compact binary coalescences and offers a viable path toward numerical relativity at exascale.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

An Overview of Material Models in the BISON Fuel Performance Code

BISON is a modern finite element-based nuclear fuel performance code that has been under development at Idaho National Laboratory (INL) since 2009. The code is applicable to both steady and transient fuel behavior and supports the use of one-, two-, and three-dimensional meshes. BISON is designed to be a multi-fuels code. Although primarily applied to Light Water Reactor (LWR) fuel to date, the code has been used to analyze TRISO-coated particle fuel and metal fuel in rod and plate form, design and interpret fuel irradiation experiments and investigate novel fuel concepts. Nuclear fuel operates in an extreme environment that induces complex multiphysics phenomena occurring over distances ranging from inter-atomic spacing to meters, and times scales ranging from microseconds to years. To simulate this behavior requires a wide variety of material models which are often complex and nonlinear. Nearly all of the material models currently available in BISON are empirical, using correlations from existing fuel performance codes or material property libraries. Although these models perform adequately under many conditions, they have well-understood limitations. One obvious weakness is that the models are only valid in the domain of the associated experimental data, and extrapolating beyond this domain can result in substantial errors. A further weakness is that these models are often correlated in terms of imprecise quantities, such as burnup. Materials can, for example, reach a given burnup under very different circumstances, leading to very different material behavior. To overcome these weaknesses, efforts are underway with BISON to develop models based on a multi-scale approach, where material behavior is described with a series of interdependent microstructure based models. This paper provides an overview of the material models available in BISON. To keep the scope manageable, only LWR fuel will be considered. The first section focuses on UO{sub 2} fuel, identifying the models generally required and briefly describing those that have been implemented in the code. The second section repeats this approach for Zircaloy cladding. A final section provides examples of areas where multi-scale material modeling has been applied to BISON. BISON is a modern 2D and 3D nuclear fuel performance code that is applicable to multiple fuel forms. A wide variety of complex and nonlinear material models are required to simulate fuel behavior. Focusing on UO{sub 2} fuel and Zircaloy cladding (LWR fuel), the set of empirical models currently implemented in BISON have been reviewed. To overcome some of the deficiencies associated with empirical models, multi-scale material models are being developed. Two multi-scale models that have been used in BISON were reviewed. (authors)

36 MATERIALS SCIENCE↗
DOE OSTI2022

PICSAR-QED: a Monte Carlo module to simulate strong-field quantum electrodynamics in particle-in-cell codes for exascale architectures

Abstract Physical scenarios where the electromagnetic fields are so strong that quantum electrodynamics (QED) plays a substantial role are one of the frontiers of contemporary plasma physics research. Investigating those scenarios requires state-of-the-art particle-in-cell (PIC) codes able to run on top high-performance computing (HPC) machines and, at the same time, able to simulate strong-field QED processes. This work presents the PICSAR-QED library, an open-source, portable implementation of a Monte Carlo module designed to provide modern PIC codes with the capability to simulate such processes, and optimized for HPC. Detailed tests and benchmarks are carried out to validate the physical models in PICSAR-QED, to study how numerical parameters affect such models, and to demonstrate its capability to run on different architectures (CPUs and GPUs). Its integration with WarpX, a state-of-the-art PIC code designed to deliver scalable performance on upcoming exascale supercomputers, is also discussed and validated against results from the existing literature.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗