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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,243 records · Page 69

Towards Resiliency Evaluation of Vector Programs

The systems resilience research community has developed methods to manually insert additional source-program level assertions to trap errors, and also devised tools to conduct fault injection studies for scalar program codes. In this work, we contribute the first vector oriented LLVM-level fault injector VULFI to help study the effects of faults in vector architectures that are of growing importance, especially for vectorizing loops. Using VULFI, we conduct a resiliency study of nine real-world vector benchmarks using Intel’s AVX and SSE extensions as the target vector instruction sets, and offer the first reported understanding of how faults affect vector instruction sets. We take this work further toward automating the insertion of resilience assertions during compilation. This is based on our observation that during intermediate (e.g., LLVM-level) code generation to handle full and partial vectorization, modern compilers exploit (and explicate in their code-documentation) critical invariants. These invariants are turned into error-checking code. We confirm the efficacy of these automatically inserted low-overhead error detectors for vectorized for-loops.

fault injection↗

Heuristic Dynamic Programming for Adaptive Virtual Synchronous Generators

In this paper a neural network heuristic dynamic programing (HDP) is used for optimal control of the virtual inertia-based control of grid connected three-phase inverters. It is shown that the conventional virtual inertia controllers are not suited for non-inductive grids. A neural network-based controller is proposed to adapt to any impedance angle. Applying an adaptive dynamic programming controller instead of a supervised controlled method enables the system to adjust itself to different conditions. The proposed HDP consists of two subnetworks: critic network and action network. These networks can be trained during the same training cycle to decrease the training time. The simulation results confirm that the proposed neural network HDP controller performs better than the traditional direct-fed voltage and/or reactive power controllers in virtual inertia control schemes.

24 POWER TRANSMISSION AND DISTRIBUTION↗

MCTP system model based on linear programming optimization of apertures obtained from sequencing patient image data maps

Purpose: The authors present a hybrid direct multileaf collimator (MLC) aperture optimization model exclusively based on sequencing of patient imaging data to be implemented on a Monte Carlo treatment planning system (MC-TPS) to allow the explicit radiation transport simulation of advanced radiotherapy treatments with optimal results in efficient times for clinical practice. Methods: The planning system (called CARMEN) is a full MC-TPS, controlled through aMATLAB interface, which is based on the sequencing of a novel map, called “biophysical” map, which is generated from enhanced image data of patients to achieve a set of segments actually deliverable. In order to reduce the required computation time, the conventional fluence map has been replaced by the biophysical map which is sequenced to provide direct apertures that will later be weighted by means of an optimization algorithm based on linear programming. A ray-casting algorithm throughout the patient CT assembles information about the found structures, the mass thickness crossed, as well as PET values. Data are recorded to generate a biophysical map for each gantry angle. These maps are the input files for a home-made sequencer developed to take into account the interactions of photons and electrons with the MLC. For each linac (Axesse of Elekta and Primus of Siemens) and energy beam studied (6, 9, 12, 15 MeV and 6 MV), phase space files were simulated with the EGSnrc/BEAMnrc code. The dose calculation in patient was carried out with the BEAMDOSE code. This code is a modified version of EGSnrc/DOSXYZnrc able to calculate the beamlet dose in order to combine them with different weights during the optimization process. Results: Three complex radiotherapy treatments were selected to check the reliability of CARMEN in situations where the MC calculation can offer an added value: A head-and-neck case (Case I) with three targets delineated on PET/CT images and a demanding dose-escalation; a partial breast irradiation case (Case II) solved with photon and electron modulated beams (IMRT + MERT); and a prostatic bed case (Case III) with a pronounced concave-shaped PTV by using volumetric modulated arc therapy. In the three cases, the required target prescription doses and constraints on organs at risk were fulfilled in a short enough time to allow routine clinical implementation. The quality assurance protocol followed to check CARMEN system showed a high agreement with the experimental measurements. Conclusions: A Monte Carlo treatment planning model exclusively based on maps performed from patient imaging data has been presented. The sequencing of these maps allows obtaining deliverable apertures which are weighted for modulation under a linear programming formulation. The model is able to solve complex radiotherapy treatments with high accuracy in an efficient computation time.

60 APPLIED LIFE SCIENCES↗

SU-E-T-465: Implementation of An Automated Collision Detection Program Using Open Source Software for the Pinnacle Treatment Planning System

Purpose: Potential collisions between the gantry head and the patient or table assembly are difficult to detect in most treatment planning systems. We have developed and implemented a novel software package for the representation of potential gantry collisions with the couch assembly at the time of treatment planning. Methods: Physical dimensions of the Varian Edge linear accelerator treatment head were measured and reproduced using the Visual Python display package. A script was developed for the Pinnacle treatment planning system to generate a file with the relevant couch, gantry, and isocenter positions for each beam in a planning trial. A python program was developed to parse the information from the TPS and produce a representative model of the couch/gantry system. Using the model and the Visual Python libraries, a rendering window is generated for each beam that allows the planner to evaluate the possibility of a collision. Results: Comparison against heuristic methods and direct verification on the machine validated the collision model generated by the software. Encounters of <1 cm between the gantry treatment head and table were visualized as collisions in our virtual model. Visual windows were created depicting the angle of collision for each beam, including the anticipated table coordinates. Visual rendering of a 6 arc trial with multiple couch positions was completed in under 1 minute, with network bandwidth being the primary bottleneck. Conclusion: The developed software allows for quick examination of possible collisions during the treatment planning process and helps to prevent major collisions prior to plan approval. The software can easily be implemented on future planning systems due to the versatility and platform independence of the Python programming language. Further integration of the software with the treatment planning system will allow the possibility of patient-gantry collision detection for a range of treatment machines.

60 APPLIED LIFE SCIENCES↗

Program of Fundamental-Interaction Research for the Ultracold-Neutron Source at the the WWR-M Reactor

The use of ultracold neutrons opens unique possibilities for studying fundamental interactions in particles physics. Searches for the neutron electric dipole moment are aimed at testing models of CP violation. A precise measurement of the neutron lifetime is of paramount importance for cosmology and astrophysics. Considerable advances in these realms can be made with the aid of a new ultracold-neutron (UCN) supersource presently under construction at Petersburg Nuclear Physics Institute. With this source, it would be possible to obtain an UCN density approximately 100 times as high as that at currently the best UCN source at the high-flux reactor of the Institute Laue–Langevin (ILL, Grenoble, France). To date, the design and basic elements of the source have been prepared, tests of a full-scale source model have been performed, and the research program has been developed. It is planned to improve accuracy in measuring the neutron electric dipole moment by one order of magnitude to a level of 10{sup −27} to 10{sup −28}e cm. This is of crucial importance for particle physics. The accuracy in measuring the neutron lifetime can also be improved by one order of magnitude. Finally, experiments that would seek neutron–antineutron oscillations by employing ultracold neutrons will become possible upon reaching an UCN density of 10{sup 3} to 10{sup 4} cm{sup −3}. The current status of the source and the proposed research program are discussed.

79 ASTRONOMY AND ASTROPHYSICS↗

SeeQ: A Programming Model for Portable Data-Driven Building Applications

This paper introduces SeeQ, a programming model and an abstraction framework that facilitates the development of portable data- driven building applications. Data-driven approaches can provide insights into building operations and guide decision-making to achieve operational objectives. Yet the configuration of such applications per building requires extensive effort and tacit knowledge. In SeeQ, we propose a portable programming model and build a software system that enables self-configuration and execution across diverse buildings. The configuration of each building is captured in a unified data model - in this paper, we work with the Brick ontology without loss of generality. SeeQ focuses on the distinction between the application logic and the configuration of an application against building-specific data inputs and systems. We test the proposed approach by configuring and deploying a diverse range of applications across five heterogeneous real-world buildings. The analysis shows the potential of SeeQ to significantly reduce the efforts associated with the delivery of building analytics.

analytics↗

Decomposing Loosely Coupled Mixed-Integer Programs for Optimal Microgrid Design

Microgrids are frequently employed in remote regions, in part because access to a larger electric grid is impossible, difficult, or compromises reliability and independence. Although small microgrids often employ spot generation, in which a diesel generator is attached directly to a load, microgrids that combine these individual loads and augment generators with photovoltaic cells and batteries as a distributed energy system are emerging as a safer, less costly alternative. In this work, we present a model that seeks the minimum-cost microgrid design and ideal dispatched power to support a small remote site for one year with hourly fidelity under a detailed battery model; this mixed-integer nonlinear program (MINLP) is intractable with commercial solvers but loosely coupled with respect to time. A mixed-integer linear program (MIP) approximates the model, and a partitioning scheme linearizes the bilinear terms. We introduce a novel policy for loosely coupled MIPs in which the system reverts to equivalent conditions at regular time intervals; this separates the problem into subproblems that we solve in parallel. We obtain solutions within 5% of optimality in at most six minutes across 14 MIP instances from the literature and solutions within 5% of optimality to the MINLP instances within 20 minutes.

97 MATHEMATICS AND COMPUTING↗

LLM Benchmarking with LLaMA2: Evaluating Code Development Performance Across Multiple Programming Languages

The rapid evolution of large language models (LLMs) has opened new possibilities for automating various tasks in software development. This paper evaluates the capabilities of the LLaMA 2-70B model in automating these tasks for scientific applications written in commonly used programming languages. Using representative test problems, we assess the model's capacity to generate code, documentation, and unit tests, as well as its ability to translate existing code between commonly used programming languages. Our comprehensive analysis evaluates the compilation, runtime behavior, and correctness of the generated and translated code. Additionally, we assess the quality of automatically generated code, documentation, and unit tests. Here, our results indicate that while LLaMA 2-70B frequently generates syntactically correct and functional code for simpler numerical tasks, it encounters substantial difficulties with more complex, parallelized, or distributed computations, requiring considerable manual corrections. We identify key limitations and suggest areas for future improvements to better leverage AI-driven automation in scientific computing workflows.

97 MATHEMATICS AND COMPUTING↗

Stan : A Probabilistic Programming Language

Stan is a probabilistic programming language for specifying statistical models. A Stan program imperatively defines a log probability function over parameters conditioned on specified data and constants. As of version 2.14.0, Stan provides full Bayesian inference for continuous-variable models through Markov chain Monte Carlo methods such as the No-U-Turn sampler, an adaptive form of Hamiltonian Monte Carlo sampling. Penalized maximum likelihood estimates are calculated using optimization methods such as the limited memory Broyden-Fletcher-Goldfarb-Shanno algorithm. Stan is also a platform for computing log densities and their gradients and Hessians, which can be used in alternative algorithms such as variational Bayes, expectation propagation, and marginal inference using approximate integration. To this end, Stan is set up so that the densities, gradients, and Hessians, along with intermediate quantities of the algorithm such as acceptance probabilities, are easily accessible. Stan can also be called from the command line using the cmdstan package, through R using the rstan package, and through Python using the pystan package. All three interfaces support sampling and optimization-based inference with diagnostics and posterior analysis. rstan and pystan also provide access to log probabilities, gradients, Hessians, parameter transforms, and specialized plotting.

97 MATHEMATICS AND COMPUTING↗

Radiological Safety Analysis Computer (RSAC) Program Version 7.2 Users’ Manual

The Radiological Safety Analysis Computer (RSAC) Program Version 7.2 (RSAC-7) is the newest version of the RSAC legacy code. It calculates the consequences of a release of radionuclides to the atmosphere. A user can generate a fission product inventory from either reactor operating history or a nuclear criticality event. RSAC-7 models the effects of high-efficiency particulate air filters or other cleanup systems and calculates the decay and ingrowth during transport through processes, facilities, and the environment. Doses are calculated for inhalation, air immersion, ground surface, ingestion, and cloud gamma pathways. RSAC-7 can be used as a tool to evaluate accident conditions in emergency response scenarios, radiological sabotage events and to evaluate safety basis accident consequences. This users’ manual contains the mathematical models and operating instructions for RSAC-7. Instructions, screens, and examples are provided to guide the user through the functions provided by RSAC-7. This program was designed for users who are familiar with radiological dose assessment methods.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE Hydrogen Program: 2010 Annual Merit Review and Peer Evaluation Report

This document summarizes the comments provided by peer reviewers on hydrogen and fuel cell projects presented at the FY 2010 U.S. Department of Energy (DOE) Hydrogen Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting (AMR), held June 7-11, 2010 in Washington, D.C.

08 HYDROGEN↗

Iraq liquid radioactive waste tanks maintenance and monitoring program plan.

The purpose of this report is to develop a project management plan for maintaining and monitoring liquid radioactive waste tanks at Iraq's Al-Tuwaitha Nuclear Research Center. Based on information from several sources, the Al-Tuwaitha site has approximately 30 waste tanks that contain varying amounts of liquid or sludge radioactive waste. All of the tanks have been non-operational for over 20 years and most have limited characterization. The program plan embodied in this document provides guidance on conducting radiological surveys, posting radiation control areas and controlling access, performing tank hazard assessments to remove debris and gain access, and conducting routine tank inspections. This program plan provides general advice on how to sample and characterize tank contents, and how to prioritize tanks for soil sampling and borehole monitoring.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Program Development Tools and Infrastructures: Activities by ASC CSSE/CCE and Partners

Exascale class machines will exhibit a new level of complexity: they will feature an unprecedented number of cores and threads, will most likely be heterogeneous and deeply hierarchical, and offer a range of new hardware techniques (such as speculative threading, transactional memory, programmable prefetching, and programmable accelerators), which all have to be utilized for an application to realize the full potential of the machine. Additionally, users will be faced with less memory per core, fixed total power budgets, and sharply reduced MTBFs. At the same time, it is expected that the complexity of applications will rise sharply for exascale systems, both to implement new science possible at exascale and to exploit the new hardware features necessary to achieve exascale performance. This is particularly true for many of the NNSA codes, which are large and often highly complex integrated simulation codes that push the limits of everything in the system including language features. To overcome these limitations and to enable users to reach exascale performance, users will expect a new generation of tools that address the bottlenecks of exascale machines, that work seamlessly with the (set of) programming models on the target machines, that scale with the machine, that provide automatic analysis capabilities, and that are flexible and modular enough to overcome the complexities and changing demands of the exascale architectures. Further, any tool must be robust enough to handle the complexity of large integrated codes while keeping the user's learning curve low. With the ASC program, in particular the CSSE (Computational Systems and Software Engineering) and CCE (Common Compute Environment) projects, we are working towards a new generation of tools that fulfill these requirements and that provide our users as well as the larger HPC community with the necessary tools, techniques, and methodologies required to make exascale performance a reality.

43 PARTICLE ACCELERATORS↗

Preliminary Analysis of the Jobs and Economic Impacts of Renewable Energy Projects Supported by the §1603 Treasury Grant Program

This analysis responds to a request from the Department of Energy Office of Energy Efficiency and Renewable Energy to the National Renewable Energy Laboratory (NREL) to estimate the direct and indirect jobs and economic impacts of projects supported by the §1603 Treasury grant program. The analysis employs the Jobs and Economic Development Impacts (JEDI) models to estimate the grossjobs, earnings, and economic output supported by the construction and operation of the large wind (greater than 1 MW) and solar photovoltaic (PV) projects funded by the §1603 grant program.

14 SOLAR ENERGY↗

OpenSHMEM Application Programming Interface (V.1.0 FINAL)

This document defines the elements of the OpenSHMEM Application Programming Interface. The purpose of the OpenSHMEM API is to provide programmers with a standard interface for writing parallel programs using C, C++ and Fortran with one-sided communication.

99 GENERAL AND MISCELLANEOUS↗

Center for Programming Models for Scalable Parallel Computing - Towards Enhancing OpenMP for Manycore and Heterogeneous Nodes (Final Report)

OpenMP was not well recognized at the beginning of the project, around year 2003, because of its limited use in DoE production applications and the inmature hardware support for an efficient implementation. Yet in the recent years, it has been graduately adopted both in HPC applications, mostly in the form of MPI+OpenMP hybrid code, and in mid-scale desktop applications for scientific and experimental studies. We have observed this trend and worked deligiently to improve our OpenMP compiler and runtimes, as well as to work with the OpenMP standard organization to make sure OpenMP are evolved in the direction close to DoE missions. In the Center for Programming Models for Scalable Parallel Computing project, the HPCTools team at the University of Houston (UH), directed by Dr. Barbara Chapman, has been working with project partners, external collaborators and hardware vendors to increase the scalability and applicability of OpenMP for multi-core (and future manycore) platforms and for distributed memory systems by exploring different programming models, language extensions, compiler optimizations, as well as runtime library support.

97 MATHEMATICS AND COMPUTING↗

Automatic Transformation of MPI Programs to Asynchronous, Graph-Driven Form

The goals of this project are to develop new, scalable, high-fidelity algorithms for atomic-level simulations and program transformations that automatically restructure existing applications, enabling them to scale forward to Petascale systems and beyond. The techniques enable legacy MPI application code to exploit greater parallelism though increased latency hiding and improved workload assignment. The techniques were successfully demonstrated on high-end scalable systems located at DOE laboratories. Besides the automatic MPI program transformations efforts, the project also developed several new scalable algorithms for ab-initio molecular dynamics, including new massively parallel algorithms for hybrid DFT and new parallel in time algorithms for molecular dynamics and ab-initio molecular dynamics. These algorithms were shown to scale to very large number of cores, and they were designed to work in the latency hiding framework developed in this project. The effectiveness of the developments was enhanced by the direct application to real grand challenge simulation problems covering a wide range of technologically important applications, time scales and accuracies. These included the simulation of the electronic structure of mineral/fluid interfaces, the very accurate simulation of chemical reactions in microsolvated environments, and the simulation of chemical behavior in very large enzyme reactions.

97 MATHEMATICS AND COMPUTING↗