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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Fast multipurpose Monte Carlo simulation for proton therapy using multi- and many-core CPU architectures

Purpose: Accuracy in proton therapy treatment planning can be improved using Monte Carlo (MC) simulations. However the long computation time of such methods hinders their use in clinical routine. This work aims to develop a fast multipurpose Monte Carlo simulation tool for proton therapy using massively parallel central processing unit (CPU) architectures. Methods: A new Monte Carlo, called MCsquare (many-core Monte Carlo), has been designed and optimized for the last generation of Intel Xeon processors and Intel Xeon Phi coprocessors. These massively parallel architectures offer the flexibility and the computational power suitable to MC methods. The class-II condensed history algorithm of MCsquare provides a fast and yet accurate method of simulating heavy charged particles such as protons, deuterons, and alphas inside voxelized geometries. Hard ionizations, with energy losses above a user-specified threshold, are simulated individually while soft events are regrouped in a multiple scattering theory. Elastic and inelastic nuclear interactions are sampled from ICRU 63 differential cross sections, thereby allowing for the computation of prompt gamma emission profiles. MCsquare has been benchmarked with the GATE/GEANT4 Monte Carlo application for homogeneous and heterogeneous geometries. Results: Comparisons with GATE/GEANT4 for various geometries show deviations within 2%–1 mm. In spite of the limited memory bandwidth of the coprocessor simulation time is below 25 s for 10{sup 7} primary 200 MeV protons in average soft tissues using all Xeon Phi and CPU resources embedded in a single desktop unit. Conclusions: MCsquare exploits the flexibility of CPU architectures to provide a multipurpose MC simulation tool. Optimized code enables the use of accurate MC calculation within a reasonable computation time, adequate for clinical practice. MCsquare also simulates prompt gamma emission and can thus be used also for in vivo range verification.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2011

Critical Path-Based Thread Placement for NUMA Systems

Multicore multiprocessors use a Non Uniform Memory Architecture (NUMA) to improve their scalability. However, NUMA introduces performance penalties due to remote memory accesses. Without efficiently managing data layout and thread mapping to cores, scientific applications, even if they are optimized for NUMA, may suffer performance loss. In this paper, we present algorithms and a runtime system that optimize the execution of OpenMP applications on NUMA architectures. By collecting information from hardware counters, the runtime system directs thread placement and reduces performance penalties by minimizing the critical path of OpenMP parallel regions. The runtime system uses a scalable algorithm that derives placement decisions with negligible overhead. We evaluate our algorithms and runtime system with four NPB applications implemented in OpenMP. On average the algorithms achieve between 8.13% and 25.68% performance improvement compared to the default Linux thread placement scheme. The algorithms miss the optimal thread placement in only 8.9% of the cases.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

Critical Path-Based Thread Placement for NUMA Systems

Multicore multiprocessors use Non Uniform Memory Architecture (NUMA) to improve their scalability. However,NUMA introduces performance penalties due to remote memory accesses. Without efficiently managing data layout and thread mapping to cores, scientific applications, even if they are optimized for NUMA, may suffer performance loss. In this paper, we present an algorithm that optimizes the placement of OpenMP threads on NUMA processors. By collecting information from hardware counters and defining new metrics to capture the effects of thread placement, the algorithm reduces NUMA performance penalty by minimizing the critical path of OpenMP parallel regions and by avoiding local memory resource contention. We evaluate our algorithm with NPB benchmarks and achieve performance improvement between 8.13% and 25.68%, compared to the OS default scheduling.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2017

PetaVision version 2.0

PetaVision is an open source, object oriented neural simulation toolbox optimized for high-performance multi-core, multi-node computer architectures. PetaVision is intended for computational neuroscientists who seek to apply neuromorphic models to hard signal processing problems; both to improve on the performance of existing algorithms and/or to gain insight into the computational mechanisms underlying biological neural processing. Please note that this assertion and ESTSC deposit are only for the portions of PetaVision which have been funded and written by LANL developers.

Lundquist, Sheng↗
DOE OSTI2013

SciDAC Center for Gyrokinetic Particle Simulation of Turbulent Transport in Burning Plasmas

During the first year of the SciDAC gyrokinetic particle simulation (GPS) project, the GPS team (Zhihong Lin, Liu Chen, Yasutaro Nishimura, and Igor Holod) at the University of California, Irvine (UCI) studied the tokamak electron transport driven by electron temperature gradient (ETG) turbulence, and by trapped electron mode (TEM) turbulence and ion temperature gradient (ITG) turbulence with kinetic electron effects, extended our studies of ITG turbulence spreading to core-edge coupling. We have developed and optimized an elliptic solver using finite element method (FEM), which enables the implementation of advanced kinetic electron models (split-weight scheme and hybrid model) in the SciDAC GPS production code GTC. The GTC code has been ported and optimized on both scalar and vector parallel computer architectures, and is being transformed into objected-oriented style to facilitate collaborative code development. During this period, the UCI team members presented 11 invited talks at major national and international conferences, published 22 papers in peer-reviewed journals and 10 papers in conference proceedings. The UCI hosted the annual SciDAC Workshop on Plasma Turbulence sponsored by the GPS Center, 2005-2007. The workshop was attended by about fifties US and foreign researchers and financially sponsored several gradual students from MIT, Princeton University, Germany, Switzerland, and Finland. A new SciDAC postdoc, Igor Holod, has arrived at UCI to initiate global particle simulation of magnetohydrodynamics turbulence driven by energetic particle modes. The PI, Z. Lin, has been promoted to the Associate Professor with tenure at UCI.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

REDUNDANT ARRAY CONFIGURATIONS FOR 21 cm COSMOLOGY

Realizing the potential of 21 cm tomography to statistically probe the intergalactic medium before and during the Epoch of Reionization requires large telescopes and precise control of systematics. Next-generation telescopes are now being designed and built to meet these challenges, drawing lessons from first-generation experiments that showed the benefits of densely packed, highly redundant arrays—in which the same mode on the sky is sampled by many antenna pairs—for achieving high sensitivity, precise calibration, and robust foreground mitigation. In this work, we focus on the Hydrogen Epoch of Reionization Array (HERA) as an interferometer with a dense, redundant core designed following these lessons to be optimized for 21 cm cosmology. We show how modestly supplementing or modifying a compact design like HERA’s can still deliver high sensitivity while enhancing strategies for calibration and foreground mitigation. In particular, we compare the imaging capability of several array configurations, both instantaneously (to address instrumental and ionospheric effects) and with rotation synthesis (for foreground removal). We also examine the effects that configuration has on calibratability using instantaneous redundancy. We find that improved imaging with sub-aperture sampling via “off-grid” antennas and increased angular resolution via far-flung “outrigger” antennas is possible with a redundantly calibratable array configuration.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Graph-Based Representations and Applications to Process Simulation

Rapid and robust convergence of a process flowsheet is critical to enable large-scale simulations that address core scientific questions related to process design, optimization, and sustainability. However, due to the highly coupled and nonlinear nature of chemical processes, efficiently solving a flowsheet remains a challenge. In this work, we show that graph representations of the underlying physical phenomena in unit operations may help identify potential avenues to systematically reformulate the network of equations and enable more robust topology-based convergence of flowsheets. To this end, we developed graph abstractions of the governing equations of vapor-liquid and liquid-liquid equilibrium separation equipment. These graph abstractions consist of a mesh of interconnected variable nodes and equation nodes that are systematically generated through PhenomeNode, a new open-source library in Python developed in this study. We show that partitioning the graph into separate mass, energy, and equilibrium subgraphs can help decouple nonlinearities and guide decomposition algorithms. By employing the graph abstraction on an industrial separation process for separating glacial acetic acid from water, we implemented a new block decomposition scheme in BioSTEAM and demonstrated that this can accelerate convergence over a traditional sequential modular approach.

Distillation↗
DOE OSTI2011

Chemical cleaning of porous stainless steel cross-flow filter elements for nuclear waste applications

The Waste Treatment and Immobilization Plant (WTP) currently under construction for treatment of High-Level Waste (HLW) at the Hanford Site will rely on cross-flow ultrafiltration to provide solids-liquid separation as a core part of the treatment process. To optimize process throughput, periodic chemical cleaning of the porous stainless steel filter elements has been incorporated into the design of the plant. It is currently specified that chemical cleaning with nitric acid will occur after significant irreversible membrane fouling is observed. Irreversible fouling is defined as fouling that cannot be removed by backpulsing the filter. PNNL has investigated chemical cleaning processes as part of integrated tests with HLW simulants and with actual Hanford tank wastes. To quantify the effectiveness of chemical cleaning, the residual membrane resistance after cleaning was compared against the initial membrane resistance for each test in a series of long-term fouling tests. The impact of the small amount of residual resistance in these tests could not be separated from other parameters and the historical benchmark of >1 GPM/ft2 for clean water flux was determined to be an adequate metric for chemical cleaning. Using the results from these tests, a process optimization strategy is presented suggesting that for the simulant material under test, the value of chemical cleaning may be suspect. The period of enhanced filtration may not be enough to offset the down time required for chemical cleaning, without respect to the other associated costs.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Optimized quasisymmetric stellarators are consistent with the Garren–Boozer construction

The majority of quasisymmetric stellarators to date have been designed by numerically optimizing the plasma boundary shape to minimize symmetry-breaking Fourier modes of the magnetic field strength B. At high aspect ratio, a faster approach is to directly construct the plasma shape from the equations of quasisymmetry near the magnetic axis derived by Garren and Boozer [Phys Fluids B 3, 2805 (1991)]. Here we demonstrate that the core shape and rotational transform of many optimization-based configurations can be accurately described by this direct-construction approach. This consistency supports use of the near-axis construction as an accurate analytical model for modern stellarator configurations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Collaboration for the Management of the Bruce Power Major Component Replacement (MCR) Nuclear Waste - 19630

Bruce Power's Major Component Replacement (MCR) Program will generate large volume waste via steam generators (SGs) and intermediate-level nuclear waste, which will require specialized packaging and handling to safely receive and store it at Ontario Power Generation's (OPG) Western Waste Management Facility (WWMF). The refurbishment of a Candu reactor involves, in part, the removal and replacement of all of a reactor core's fuel channel assemblies. Bruce Power and OPG collaborated to develop nuclear waste management solutions to optimize the use of OPG's existing Steam Generator Storage Building (SGSB) and Retube Component Storage Building (RCSB). By designing specialized Retube Waste Containers (RWCs) and optimizing configurations for the waste to be stored in the buildings, we will reduce the interim nuclear waste storage needs at the OPG WWMF, while improving Bruce Power MCR process efficiencies and reducing the overall costs of the MCR Program (Units 3 through 8). (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2014

Performance analysis of a 3D unstructured mesh hydrodynamics code on multi‐core and many‐core architectures

SUMMARY Several next generation high performance computing platforms are or will be based on the so‐called many‐core architectures, which represent a significant departure from commodity multi‐core architectures. A key issue in transitioning large‐scale simulation codes from multi‐core to many‐core systems is closing the serial performance gap, that is, overcoming the large difference in single‐core performance between multi‐core and many‐core systems. In this paper, we discuss how this problem was addressed for a 3D unstructured mesh hydrodynamics code, describe how Amdahl's law can be used to estimate performance targets and guide optimization efforts, and present timing studies performed on multi‐core and many‐core platforms. Published 2014. This article is a U.S. Government work and is in the public domain in the USA.

Waltz, J.↗
DOE OSTI2013

Kinetic turbulence simulations at extreme scale on leadership-class systems

Reliable predictive simulation capability addressing confinement properties in magnetically confined fusion plasmas is critically-important for ITER, a 20 billion dollar international burning plasma device under construction in France. The complex study of kinetic turbulence, which can severely limit the energy confinement and impact the economic viability of fusion systems, requires simulations at extreme scale for such an unprecedented device size. Our newly optimized, global, ab initio particle-in-cell code solving the nonlinear equations underlying gyrokinetic theory achieves excellent performance with respect to "time to solution" at the full capacity of the IBM Blue Gene/Q on 786,432 cores of Mira at ALCF and recently of the 1,572,864 cores of Sequoia at LLNL. Recent multithreading and domain decomposition optimizations in the new GTC-P code represent critically important software advances for modern, low memory per core systems by enabling routine simulations at unprecedented size (130 million grid points ITER-scale) and resolution (65 billion particles).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

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

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

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

Efficient core-excited state orbital perspective on calculating x-ray absorption transitions in determinant framework

X-ray absorption spectroscopy (XAS) is an explicit probe of the unoccupied electronic structure of materials and an invaluable tool for fingerprinting various electronic properties and phenomena. Computational methods capable of simulating and analyzing such spectra are therefore in high demand for complementing experimental results and for extracting valuable insights therefrom. In particular, a recently proposed first-principles approach titled many-body XAS (MBXAS), which approximates the final (initial) state as a Slater determinant constructed from Kohn-Sham (KS) orbitals optimized in the absence (presence) of the relevant core electron has shown promising prospects in evaluating the transition amplitudes. In this article, we show that the MBXAS approach can be rederived using a transition operator expressed entirely in the basis of core-excited state KS orbitals and that this reformulation offers substantial practical and conceptual advantages. In addition to circumventing previous issues of convergence with respect to the number of unoccupied ground-state orbitals, the aforementioned representation reduces the computational expense by rendering the calculation of such orbitals unnecessary altogether. Furthermore, the reformulated approach also provides a direct pathway for comparing the many-body approximation with the so-called single-particle treatment and indicates the relative importance in observed XAS intensity of the relaxation of the valence occupied subspace induced by the core excitation. Finally, using the core-excited state basis, we define auxiliary orbitals for x-ray absorption and demonstrate their utility in explaining the spectral intensity by contrasting them with single-particle approximations to the excited state.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

A TOpographic Mapping (ATOM) Method to Design Magnetic Cores

Wireless power transfer offers safe, convenient, and efficient way of charging electric vehicles. Ongoing research is targeting wireless charging pad design optimization; designing the magnetic component is the most important part of the coupler design because the magnetic part determines the coupling factor and efficiency. Optimizing the coil layout and geometry as well as ferrite design requires finite elements analysis based modeling and simulation for minimized core losses, maximized magnetic coupling, and minimized material use for cost-effectiveness. Although parametric finite element analysis or emerging artificial intelligence methods can generate very accurate results, simulation times are extremely long. To address this issue, this study proposes a simple, effective core design called A TOpographic Mapping (ATOM). The proposed design is based on the design of magnetic core by using the magnetic flux distribution. The thickness of the core increases with increasing magnetic flux density, forming a variable thickness core design with less material and minimized core losses compared to conventional designs. A superimposing method is used to create an optimal design for a rotational magnetic field-based system. According to simulation results, the ATOM design reduces the required material volume by 13.19% and yields the lowest core loss and highest mutual inductance compared to other designs. In addition, misalignment, electromagnetic interference, and thermal performance were evaluated for the proposed design.

Aydin, Emrullah [Oak Ridge National Laboratory (OR↗
DOE OSTI2015

Parallel performance optimizations on unstructured mesh-based simulations

This paper addresses two key parallelization challenges the unstructured mesh-based ocean modeling code, MPAS-Ocean, which uses a mesh based on Voronoi tessellations: (1) load imbalance across processes, and (2) unstructured data access patterns, that inhibit intra- and inter-node performance. Our work analyzes the load imbalance due to naive partitioning of the mesh, and develops methods to generate mesh partitioning with better load balance and reduced communication. Furthermore, we present methods that minimize both inter- and intranode data movement and maximize data reuse. Our techniques include predictive ordering of data elements for higher cache efficiency, as well as communication reduction approaches. We present detailed performance data when running on thousands of cores using the Cray XC30 supercomputer and show that our optimization strategies can exceed the original performance by over 2×. Additionally, many of these solutions can be broadly applied to a wide variety of unstructured grid-based computations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Optimizing pressurized-water reactor equilibrium cycle using a novel loading pattern encoding and rule-based genetic crossover operators

This work presents an extended multi-batch approach applied in shuffling scheme optimization for equilibrium cycle for pressurized water reactors using Genetic Algorithms (GAs). A new ruled based GA crossover operator called Inherited Location and Batch (ILB) was introduced to enhance offsprings reproduction efficiency specialized for equilibrium cycle optimization problem. This approach was implemented within the Plant ReLoad Optimization (PRLO) framework and validated using a generic reactor model based on the AP1000 design, with core parameters calculated via the CASMO/SIMULATE software package. The ILB approach is then applied for both single and multi-objective problems in maximizing cycle length and core average exposure while minimizing the average enrichment of the 57 fresh fuel assemblies (FAs) per cycle. The optimal solutions are selected based on their dominance to the objectives from all feasible solutions. This research identified three optimal solutions satisfied safety constraints: The first solution minimizes feed enrichment costs with a cycle length of 338.8 days and core exposure of 25.39 MWd/MT; the second solution extends cycle length to 361.2 days, with the highest core exposure of 26.84 MWd/MT, using 3.75 wt% average fuel enrichment; the third solution balances both objectives with a cycle length of 349.6 days, core exposure of 25.82 MWd/MT with a slight enrichment increase compared to the first solution. Collectively, these findings underscore the efficiency and effectiveness of the proposed approach in achieving practical multi-objective optimal equilibrium cycle designs using GAs optimizer.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Demonstration and Verification of Thermo-Mechanical Bowing in a Limited Free-Bow SFR Concept Using MOOSE

Core bowing due to thermal gradients and irradiation induced swelling and creep introduces significant reactivity feedback effects in liquid metal-cooled fast spectrum reactors. During startup, normal operations, and transient events, differential thermal and flux gradients cause expansion, creep, and swelling, which results in bowing in preferential directions depending on local material properties and load-pad and restraint-ring design. The bowing phenomenon produces negative reactivity during accident conditions provided the restraint system has been properly designed to optimally guide the deformation outwards in the active core region. Under the Department of Energy Nuclear Energy Advanced Modeling and Simulation program, a Multiphysics Object Oriented Simulation Environment (MOOSE)-based multiphysics approach to model core bowing is being developed. The present work expands on previous modeling of simpler International Atomic Energy Agency (IAEA) verification problems with these tools by modeling IAEA Verification Problem 4, which involves a symmetric sector of a reactor core with ducted assemblies undergoing differential thermal expansion due to thermal gradients bowing outward with duct-to-duct contact. This model is available on the National Reactor Innovation Center Virtual Test Bed repository. This example was verified against benchmark participant results, which includes bowing deformation evaluation and duct-to-duct interactions at load pads with mechanical contact.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗