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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Software development infrastructure for the HYBRID modeling and simulation project

One of the goals of the HYBRID modeling and simulation project is to assess the economic viability of hybrid systems in a market that contains renewable energy sources like wind. The idea is that it is possible for the nuclear plant to sell non-electric energy cushions, which absorb (at least partially) the volatility introduced by the renewable energy sources. This system is currently modeled in the Modelica programming language. To assess the economics of the system, an optimization procedure is trying to find the minimal cost of electricity production. The RAVEN code is used as a driver for the whole problem. It is assumed that at this stage, the HYBRID modeling and simulation framework can be classified as non-safety “research and development” software. The associated quality level is Quality Level 3 software. This imposes low requirements on quality control, testing and documentation. The quality level could change as the application development continues.Despite the low quality requirement level, a workflow for the HYBRID developers has been defined that include a coding standard and some documentation and testing requirements. The repository performs automated unit testing of contributed models. The automated testing is achieved via an open-source python script called BuildingsP from Lawrence Berkeley National Lab. BuildingsPy runs Modelica simulation tests using Dymola in an automated manner and generates and runs unit tests from Modelica scripts written by developers. In order to assure effective communication between the different national laboratories a biweekly videoconference has been set-up, where developers can report their progress and issues. In addition, periodic face-face meetings are organized intended to discuss high-level strategy decisions with management. A second means of communication is the developer email list. This is a list to which everybody can send emails that will be received by the collective of the developers and managers involved in the project. Thirdly, to exchange documents quickly, a SharePoint directory has been set-up. SharePoint allows teams and organizations to intelligently share, and collaborate on content from anywhere.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Optimization using pathwise algorithmic derivatives of electromagnetic shower simulations

Among the well-known methods to approximate derivatives of expectancies computed by Monte-Carlo simulations, averages of pathwise derivatives are often the easiest one to apply. Computing them via algorithmic differentiation typically does not require major manual analysis and rewriting of the code, even for very complex programs like simulations of particle-detector interactions in high-energy physics. However, the pathwise derivative estimator can be biased if there are discontinuities in the program, which may diminish its value for applications. This work integrates algorithmic differentiation into the electromagnetic shower simulation code HepEmShow based on G4HepEm, allowing us to study how well pathwise derivatives approximate derivatives of energy depositions in a sampling calorimeter with respect to parameters of the beam and geometry. We found that when multiple scattering is disabled in the simulation, means of pathwise derivatives converge quickly to their expected values, and these are close to the actual derivatives of the energy deposition. Additionally, we demonstrate the applicability of this novel gradient estimator for stochastic gradient-based optimization in a model example.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Static analysis techniques for semiautomatic synthesis of message passing software skeletons

The design of high-performance computing architectures demands performance analysis of large-scale parallel applications to derive various parameters concerning hardware design and software development. The process of performance analysis and benchmarking an application can be done in several ways with varying degrees of fidelity. One of the most cost-effective ways is to do a coarse-grained study of large-scale parallel applications through the use of program skeletons. The concept of a “program skeleton” that we discuss in this article is an abstracted program that is derived from a larger program where source code that is determined to be irrelevant is removed for the purposes of the skeleton. In this work, we develop a semiautomatic approach for extracting program skeletons based on compiler program analysis. Finally, we demonstrate correctness of our skeleton extraction process by comparing details from communication traces, as well as show the performance speedup of using skeletons by running simulations in the SST/macro simulator.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Parthenon—a performance portable block-structured adaptive mesh refinement framework

On the path to exascale the landscape of computer device architectures and corresponding programming models has become much more diverse. While various low-level performance portable programming models are available, support at the application level lacks behind. To address this issue, we present the performance portable block-structured adaptive mesh refinement (AMR) framework Parthenon, derived from the well-tested and widely used Athena++ astrophysical magnetohydrodynamics code, but generalized to serve as the foundation for a variety of downstream multi-physics codes. Parthenon adopts the Kokkos programming model, and provides various levels of abstractions from multidimensional variables, to packages defining and separating components, to launching of parallel compute kernels. Parthenon allocates all data in device memory to reduce data movement, supports the logical packing of variables and mesh blocks to reduce kernel launch overhead, and employs one-sided, asynchronous MPI calls to reduce communication overhead in multi-node simulations. Using a hydrodynamics miniapp, we demonstrate weak and strong scaling on various architectures including AMD and NVIDIA GPUs, Intel and AMD x86 CPUs, IBM Power9 CPUs, as well as Fujitsu A64FX CPUs. At the largest scale on Frontier (the first TOP500 exascale machine), the miniapp reaches a total of 1.7 × 10 13 zone-cycles/s on 9216 nodes (73,728 logical GPUs) at [Formula: see text] weak scaling parallel efficiency (starting from a single node). In combination with being an open, collaborative project, this makes Parthenon an ideal framework to target exascale simulations in which the downstream developers can focus on their specific application rather than on the complexity of handling massively-parallel, device-accelerated AMR.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Use of collaboration software to improve nuclear power plant outage management

Nuclear Power Plant (NPP) refueling outages create some of the most challenging activities the utilities face in both tracking and coordinating thousands of activities in a short period of time. Other challenges, including nuclear safety concerns arising from atypical system configurations and resource allocation issues, can create delays and schedule overruns, driving up outage costs. Today the majority of the outage communication is done using processes that do not take advantage of advances in modern technologies that enable enhanced communication, collaboration and information sharing. Some of the common practices include: runners that deliver paper-based requests for approval, radios, telephones, desktop computers, daily schedule printouts, and static whiteboards that are used to display information. Many gains have been made to reduce the challenges facing outage coordinators; however; new opportunities can be realized by utilizing modern technological advancements in communication and information tools that can enhance the collective situational awareness of plant personnel leading to improved decision-making. Ongoing research as part of the Light Water Reactor Sustainability Program (LWRS) has been targeting NPP outage improvement. As part of this research, various applications of collaborative software have been demonstrated through pilot project utility partnerships. Collaboration software can be utilized as part of the larger concept of Computer-Supported Cooperative Work (CSCW). Collaborative software can be used for emergent issue resolution, Outage Control Center (OCC) displays, and schedule monitoring. Use of collaboration software enables outage staff and subject matter experts (SMEs) to view and update critical outage information from any location on site or off.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

The VTK-m User's Guide (V. 2.2)

High-performance computing relies on ever finer threading. Advances in processor technology include ever greater numbers of cores, hyperthreading, accelerators with integrated blocks of cores, and special vectorized instructions, all of which require more software parallelism to achieve peak performance. Traditional visualization solutions cannot support this extreme level of concurrency. Extreme scale systems require a new programming model and a fundamental change in how we design algorithms. To address these issues we created VTK-m: the visualization toolkit for multi-/many-core architectures. VTK-m supports a number of algorithms and the ability to design further algorithms through a top-down design with an emphasis on extreme parallelism. VTK-m also provides support for finding and building links across topologies, making it possible to perform operations that determine manifold surfaces, interpolate generated values, and find adjacencies. Although VTK-m provides a simplified high-level interface for programming, its template-based code removes the overhead of abstraction.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Optimization and Parallelization of the Thermal-Hydraulic Sub-channel Code CTF for High-Fidelity Multi-physics Applications

This paper describes major improvements to the computational infrastructure of the CTF sub-channel code so that full-core sub-channel-resolved simulations can now be performed in much shorter run-times, either in stand-alone mode or as part of coupled-code multi-physics calculations. These improvements support the goals of the Department Of Energy (DOE) Consortium for Advanced Simulations of Light Water (CASL) Energy Innovation Hub to develop high fidelity multi-physics simulation tools for nuclear energy design and analysis. A set of serial code optimizations--including fixing computational inefficiencies, optimizing the numerical approach, and making smarter data storage choices--are first described and shown to reduce both execution time and memory usage by about a factor of ten. Next, a Single Program Multiple Data (SPMD) parallelization strategy targeting distributed memory Multiple Instruction Multiple Data (MIMD) platforms and utilizing domain-decomposition is presented. In this approach, data communication between processors is accomplished by inserting standard MPI calls at strategic points in the code. The domain decomposition approach implemented assigns one MPI process to each fuel assembly, with each domain being represented by its own CTF input file. The creation of CTF input files, both for serial and parallel runs, is also fully automated through use of a pre-processor utility that takes a greatly reduced set of user input over the traditional CTF input file. To run CTF in parallel, two additional libraries are currently needed; MPI, for inter-processor message passing, and the Parallel Extensible Toolkit for Scientific Computation (PETSc), which is leveraged to solve the global pressure matrix in parallel. Results presented include a set of testing and verification calculations and performance tests assessing parallel scaling characteristics up to a full core, sub-channel-resolved model of Watts Bar Unit 1 under hot full-power conditions (193 17x17 assemblies, ~56,000 pins, ~59,000 sub-channels, ~2.8 million thermal-hydraulic (TH) control volumes). Results demonstrate that CTF can now perform full core analysis (not previously possible due to excessively long runtimes and memory requirements) on the order of 20 minutes. This new capability is not only useful to standalone CTF users, but is also being leveraged in support of coupled code multi-physics calculations being done in the CASL program.

COBRA-TF↗
DOE OSTI2017

Fluid-Structure Interaction of Deforming Porous Media

Sandia National Laboratories (SNL) and the Procter and Gamble Company (P&G) collaborated to develop a computational tool that predicts the in-use performance of consumer good products based on specific loading, geometries, materials, and boundary conditions. This computational tool is particularly useful in exploring the consumer-product interface and product performance. The benefit to P&G was many-fold, as the numerous project-tasks that were funded under this agreement led to advanced analysis software that allowed P&G to improve the performance and manufacturing of many of their products across several business units. The benefit to SNL was many-fold as well, including improved reduced-order models for thin-region dynamics (used for customers through DSA, NW, and EC PMUs), improved computational mechanics capability for capillary hydrodynamics, porous flow, structural mechanics, and more. Example applications of these improved capabilities at SNL include, but are not limited to, encapsulation, welding, soldering, and brazing models for NW, interface sliding models for DoD SPP programs, and porous-elastic subsidence modeling for energy and climate applications. Moreover, many current code developers on the ASC program’s SIERRA applications gained valuable skills working on this CRADA.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

FLARE: field line analysis and reconstruction for 3D boundary plasma modeling

The FLARE code is a magnetic mesh generator that is integrated within a suite of tools for the analysis of the magnetic geometry in toroidal fusion devices. A magnetic mesh is constructed from field line segments and permits fast reconstruction of field lines in 3D boundary plasma codes such as EMC3-EIRENE. Both intrinsically non-axisymmetric configurations (stellarators) and those with symmetry breaking perturbations of an axisymmetric equilibrium (tokamaks) are supported. The code itself is written in Modern Fortran with MPI support for parallel computing, and it incorporates object-oriented programming for the definition of the magnetic field and the material surface geometry. Extended derived types for a number of different magnetohydrodynamic equilibrium and plasma response models are implemented. The core element of FLARE is a field line tracer with adaptive step-size control, and this is integrated into tools for the construction of Poincaré maps and invariant manifolds of X-points. A collection of high-level procedures that generate output files for visualization is build on top of that. The analysis modules are build with Python frontends that facilitate customization of tasks and/or scripting of parameter scans.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Frescox

FRESCOX is a flexible, science-oriented, and general-purpose computer code that models direct reactions during the interaction of two atomic nuclei. FRESCOX is a coupled-channels program that can have finite-range transfer interactions among any number of mass partitions, and any number of nuclear excitations in each partition.

Thompson, IanJ↗
DOE OSTI2019

Grid Optimization Lawrence Livermore Nonlinear Programming

Modelling and solution library for security-constrained AC optimal power flow problems that uses nonlinear programming methods (interior-point methods) and solvers (Ipopt, HiOp). The code is written in C++ and provides parallel computing capabilities in the form of task parallelism (solving contingency problems in parallel). Code can run on a variety of commodity high-performance computing.

Petra, CosminG↗
DOE OSTI2018

Final technical report: From colliders to cosmology in the LHC era

Now that the Higgs boson has been discovered, the question is: why is it so light when its mass is expected to blow up to the highest mass scale of the particles to which it couples? Supersymmetry tames these quadratic divergences, yet there is as yet no sign of superparticles at LHC. Sparticle mass limits and the Higgs mass suggest sparticles which reside in the multi-TeV range if at all. This situation heightens the Little Hierarchy or SUSY naturalness question: why the mass gap between weak scale and sparticle mass scale? In the past several years, our group has been highly focused on understanding the naturalness question (H. Baer). During this period, we have made some major clarifications in naturalness, showing how conventional measures overestimate fine-tuning and showing that ``natural SUSY'' requires light higgsino states-- with mass the closer to the 100 GeV scale the better. Such an inverted electroweakino spectrum leads to new, distinctive signatures at LHC (e.g. same-sign diboson production) while the ILC is expected to be a higgsino factory. We have found a deep connection between naturalness and the Peccei-Quinn scale. Dark matter is expected to occur as a higgsino-like WIMP plus axion admixture and detection of both is ultimately expected. Additional objectives of our research program are making more precise predictions for the production and decay rates of new particles, developing techniques and computer codes to discover these particles and to measure their properties, and searching for new phenomena and new interactions at present and future colliders. In addition, we will investigate direct and indirect searches for supersymmetric dark matter: both WIMPs and axions. % To carry out these studies, we will calculate production rates for SUSY particles, other new particles in various extensions to the Standard Model and physics backgrounds, as well as evaluate QCD and electroweak radiative corrections. Since the cross sections of most signals are expected to be small relative to those of the backgrounds, we plan on developing analysis techniques suitable for extracting small signals. In this project, we propose continuing along these productive investigation lines so as to facilitate discoveries which can be made at LHC, ILC and at various dark matter detectors. These projects facilitate the DoE goals at the Energy and Cosmic Frontiers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Final Scientific/Technical Report- Searches for New Phenomena Beyond the Standard Model and Hunt for New Physics at the Large Hadron Collider

DOE award DE-SC0007863 supports theoretical research in high energy physics. PI and students are NOT a part of any experimental collaboration, even if some works were done in collaboration with experimental colleagues. All research products are in the form of research articles and they are publicly available under inspirehep.net and arxiv.org, which are typical publication methods in high energy physics. No invention or patent is involved with this research. No equipment or hardware is involved with the research under this award (beside a laptop purchased with PI's startup). Some of research outcome is in the form of a computer code, which is available in https://launchpad.net/maddm. This is community effort and anyone has access to the program. Its source is open and anyone can participate in the development. Research outcomes and the code are used by colleagues in high energy physics, including both theorists and experimentalists. Therefore the outcome of research topics under this award supported the High Energy Physics experimental research program, both in understanding the data and in finding new directions for experimental exploration. The research materials are used to train undergraduate students, graduate students and postdoctoral scholars. We summarize research activity under this award in the following section and major products are listed in section 3. Section 4 contains professional presentations given by PI. Other products developed during the award period are in section 5. Summary of expenses, and student/postdoc support are summarized in section 6 and 7, respectively.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

The Rodinia Benchmarks in SYCL

The Rodinia Benchmark Suite in SYCL was first published as a technical report at Argonne National Laboratory in June 2020. While porting more programs to SYCL, the Rodinia benchmark suites were merged into the heterogenous computing benchmarks (HeCBench). Since then, the source codes and scripts of the benchmark suite have been updated to fix compile- and run-time issues that users encountered. With the recent SYCL compilers from Codeplay and Intel, this report presents the experimental results of evaluating these benchmarks on the Intel CPU and GPU devices.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

Next Generation, Explicitly Correlated Electronic Structure Methods

All common wave function methods of electronic structure theory have a fundamental and troublesome flaw: the inability to correctly describe the exact mathematical cusp behavior of many-electron wave functions in the vicinity of coalescence points (Coulomb singularities), and hence to fully account for instantaneous, short-range correlation among electrons. To achieve high thermochemical accuracy, next-generation methodologies were needed that solve the electron cusp problem by explicitly incorporating interelectronic variables (r 12 ) into molecular wave functions. We pursued a long-term research program to develop practical explicitly-correlated methods, to create attendant, freely available, state-of-the-art computer codes, and to undertake chemical applications of unprecedented size. Our work allows conventional CCSD(T) computations to be conjoined with explicitly-correlated second-order perturbation methods within a focal point extrapolation scheme for pinpointing the ab initio limit of electronic structure theory.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2017

Computerized procedure systems: procedure edition and maintenance challenges - 232

Very few nuclear power plants are using computerized procedures to guide the control room operation. A CPS implementation consists of two processes: digitalization and computerization. The former deals with the transformation of paper-based procedure into a digital data; the latter is referred to as the addition to that data of extra information that is meaningful for decision-making. This information may include real-time data (plant parameter values and binary process values to indicate equipment states), provide access to trends and historical data, etc. In order to be efficient and to optimize the digitalization and computerization processes, these set of aids should be implemented at the same time as operating procedures are digitalized There are references of plants having successfully implemented Computerized Procedures Systems (CPS) for emergency procedures, but when questioned about normal or abnormal operating procedures, operators and plant management seem reluctant to take that step. Given that a CPS is meant, by design concept, to increase operation crew efficiency by facilitating the procedures execution and reducing human error, why are we reluctant to enjoy CPS benefits in the most common plant status (i.e. normal operation)? Although there are many answers to this question, one is shared by most of the users: CPSs are not designed for editing and maintaining procedures easily and reliably. Normal operating procedures, in opposition to the emergency procedures, are often reviewed. Nowadays, these edition activities are performed easily with a word processor software and using paper, but what is required when dealing with a CPS? (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2014

Security analysis of boolean algebra based on Zhang-Wang digital signature scheme

In 2005, Zhang and Wang proposed an improvement signature scheme without using one-way hash function and message redundancy. In this paper, we show that this scheme exits potential safety concerns through the analysis of boolean algebra, such as bitwise exclusive-or, and point out that mapping is not one to one between assembly instructions and machine code actually by means of the analysis of the result of the assembly program segment, and which possibly causes safety problems unknown to the software.

97 MATHEMATICS AND COMPUTING↗