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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Study of reference burnup steps optimization in fuel segment data file generation for NEXUS/ANC9 code system

For any two-step core design code system, the cross-section files are the primary factor to determine the accuracy of the system prediction. For a once-through cross-section system to cover all potential applicable conditions, the system may need to perform tens of thousands state points of lattice calculations. These calculations take a significant amount of CPU times and computing power, especially when a fine or ultra-fine energy group library is used. As computer power increases, so does the calculational complexity. Therefore, it is important to make the lattice calculations effective and efficient. Based on the Westinghouse core design code system NEXUS/ANC9, this work focuses on the reference burnup steps used by the lattice code when performing the calculations. Following the fundamental cross-section methodology and analyzing the contribution of each individual terms, this study provides an applicable solution of the optimized reference burnup steps. The test results show that, with the existing cross-section methodology, it is possible to significantly reduce the lattice calculation cases and cross-section file generation time without sacrificing the accuracy of system prediction. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Design and optimization of cancellation coil topologies for a ferrite-less wireless EV charging pad

Ferrite cores are widely used in conventional wireless EV charging pads to reduce stray EMF emissions, but they can be brittle, heavy, and expensive. This work furthers the development of ferrite-less wireless charging pads by comparing an active and two distinct passive cancellation coil topologies as candidates to replace the ferrite. Using the software packages FEMM and MATLAB, each topology is optimized to find the best winding positions and radii to minimize leakage at a specified position under the side of the vehicle. The optimized designs are compared for shielding effectiveness, induced current, and efficiency. All three topologies are able to sufficiently reduce the leakage field below the ICNIRP limit of 27 μTrms with just one turn. Interestingly, we find that an array of simple passive cancellation loops performs similar to the more widely studied passive cancellation coil.

Scher, Aaron D.↗
DOE OSTI2018

Reduction of hydrogen content in deuterium plasma with mixed graphite and tungsten divertors in EAST

Reduction of hydrogen content in deuterium-fueled fusion plasmas is important not only to avoid diluting reacting core deuterons but also so as to allow the optimization of hydrogen-minority-heating efficiency in those fusion devices which employ ion-cyclotron-radio-frequency heating systems. In EAST, the amount of hydrogen released from plasma-facing components has been shown to depend strongly on both their composition and their temperature. In this paper, as measured by thermal desorption spectroscopy, the hydrogen inventory in graphite – used in EAST as lower divertor material – has been determined to be >25 times larger than that of tungsten which comprises the upper divertor. This difference in hydrogen inventory is attributed mostly to the intrinsically porous nature of bulk graphite. Thus the main source of hydrogen release into EAST discharges was identified as the graphite tiles used in the lower divertor. The hydrogen content in EAST plasmas were clearly reduced by first employing a high-temperature vacuum baking of all graphite tiles and then renewing a 100–200 μm thick SiC coating before an EAST experimental run campaign. Subsequent active surface conditioning of all wall components with elemental silicon and then with elemental lithium were seem to again reduce the plasma hydrogen content significantly – with lithium proving to be more effective than silicon. Combining these several techniques, H/(H + D) levels as low as ~3% have been achieved in EAST discharges. Additionally, the effects of lithium thickness on H surface implantation and retention has been re-examined semi-quantitatively using data from a previous run campaign. These data suggest that relatively thick Li films coated on the first wall can effectively isolate the rich source of hydrogen stored in the porous bulk of the underlying graphite from the deuterium-fueled plasma so as to minimize hydrogen release. In conclusion, an operational maneuver whereby a diverted plasma is repetitively switched from an upper single null configuration to a lower single null configuration is presented. This switching maneuver has been shown to suppress hydrogen influx into a 35s-long EAST discharge by alternately mitigating the rise in divertor temperature.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Nanoscale Au-In alloy-oxide core-shell particles as electrocatalysts for efficient hydroquinone detection

The presence of hydroquinone (HQ), a phenol ubiquitous in nature and widely used in industry, needs to be monitored because of its toxicity to the environment. Here we demonstrate efficient detection of HQ using simple, fast, and noninvasive electrochemical measurements on indium tin oxide (ITO) electrodes modified with nanoparticles comprising bimetallic Au–In cores and mixed Au–In oxide shells. Whereas bare ITO electrodes show very low activity for the detection of HQ, their modification with Au–In core–shell nanoparticles induces a pronounced shift of the oxidation peak to lower potentials, i.e., facilitated oxidation. The response of the different electrodes was correlated with the initial composition of the bimetallic nanoparticle cores, which in turn determined the amount of Au and In stabilized on the surface of the amorphous Au–In oxide shells available for the electrochemical reaction. While adding core–shell nanostructures with different compositions of the alloy core facilitates the electrocatalytic (reduction-) oxidation of HQ, the activity is highest for particles with AuIn cores (i.e., a Au:In ratio of 1). This optimal system is found to follow a single pathway, the two-electron oxidation of the quinone–hydroquinone couple, which gives rise to high oxidation peaks and is most effective in facilitating the electrode-to-analyte charge transfer and thus detection. The limits of detection (LOD) decreased when increasing the amount of Au exposed on the surface of the amorphous Au–In oxide shells. As a result the LODs were in the range of 10 –5 – 10 –6 M and were lower than those obtained using bulk Au.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Ultrathin Amorphous Titania on Nanowires: Optimization of Conformal Growth and Elucidation of Atomic-Scale Motifs

Due to its chemical stability, titania (TiO 2 ) thin films increasingly have significant impact when applied as passivation layers. However, optimization of growth conditions, key to achieving essential film quality and effectiveness, is challenging in the few-nanometers thickness regime. Furthermore, the atomic-scale structure of the nominally amorphous titania coating layers, particularly when applied to nanostructured supports, is difficult to probe. In this Letter, the quality of titania layers grown on ZnO nanowires is optimized using specific strategies for processing of the nanowire cores prior to titania coating. The best approach, low-pressure O 2 plasma treatment, results in significantly more-uniform titania films and a conformal coating. Characterization using X-ray absorption near edge structure (XANES) reveals the titania layer to be highly amorphous, with features in the Ti spectra significantly different from those observed for bulk TiO 2 polymorphs. Analysis based on first-principles calculations suggests that the titania shell contains a substantial fraction of under-coordinated Ti 4+ ions. The best match to the experimental XANES spectrum is achieved with a “glassy” TiO 2 model that contains ~50% of under-coordinated Ti 4+ ions, in contrast to bulk crystalline TiO 2 that only contains 6-coordinated Ti 4+ ions in octahedral sites.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Automated Hybrid Variance Reduction on Advanced Architectures in the Shift Monte Carlo Code

Monte Carlo transport methods are the most accurate schemes for solving problems with complex energy and spatial features, but they come with a high computational cost. Although hybrid methods have enabled the use of Monte Carlo transport for a large class of problems, they still require significant computing resources. Modern multicore CPUs with large numbers of compute cores and graphical processing units (GPUs) provide opportunities to optimize the memory and run-time costs of hybrid Monte Carlo methods. This paper documents the development and analysis of three Monte Carlo transport algorithms that support hybrid transport using the consistent adjoint-driven importance sampling (CADIS) and forward-weighted CADIS methods in the Shift Monte Carlo code: history-based transport using static and dynamic threading on multicore CPUs and event-based transport enabling weight window tracking on GPUs. The results are shown for two challenging hybrid problems on the Frontier supercomputer at the Oak Ridge Leadership Computing Facility. The results show that all three methods yield good performance and enable solutions of difficult fixed-source transport problems in less than 2 min on 20 nodes of Frontier. Dynamic threading was observed to give up to 20% better scaling behavior than static threading. Moreover, the AMD Instinct 250X GPU was found to give 9 to 11 times greater throughput per graphics compute die than the best CPU performance. In conclusion, additional opportunities for optimization of hybrid transport on GPUs are discussed.

Denovo↗
DOE OSTI2019

Exploring MPI Communication Models for Graph Applications Using Graph Matching as a Case Study

Traditional implementations of parallel graph operations on distributed memory platforms are written using Message Passing Interface (MPI) point to point communication primitives such as Send-Recv (blocking and nonblocking). Apart from this classical model, the MPI community has over the years added other communication models; however, their suitability for handling the irregular traffic workloads typical of graph operations remain comparatively less explored. Our aim in this paper is to study these relatively underutilized communication models of MPI for graph applications. More specifically, we evaluate MPI’s one-sided programming, or Remote Memory Access (RMA), and nearest neighborhood collectives using a process graph topology. There are features in these newer models that are intended to better map to irregular communication patterns, as exemplified in graph algorithms. As a concrete application for our case study, we use distributed memory implementations of a weighted graph matching algorithm to investigate performances of MPI-3 RMA and neighborhood collective operations compared to nonblocking Send- Recv. A matching in a graph is a subset of edges such that no two matched edges are incident on the same vertex. A maximum weight matching is a matching of maximum weight computed as the sum of the weights of matched edges. Algorithms for optimal matching have quadratic complexity and are difficult to parallelize. More importantly, execution of graph matching is dominated by high volume of irregular memory accesses, making it an ideal candidate for studying the effects of various MPI communication models on graph applications at scale. Our neighborhood collectives and RMA implementations yields up to 6× speedup over traditional optimized nonblocking Send-Recv implementations, on thousands of cores of the NERSC Cori supercomputer. We believe the lessons learned from this case study can be adopted to benefit a wider range of graph application codes.

Ghosh, Sayan↗
DOE OSTI2020

Prescient

Prescient is a software package for simulating electricity grid (power systems) operations, under both nominal and extreme event conditions. Core functionality includes discrete event simulation, commitment and dispatch optimization, probabilistic scenario construction, and reporting/visualization. SAND2020-0169 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

Watson, Jean Paul↗
DOE OSTI2016

Discrete event performance prediction of speculatively parallel temperature-accelerated dynamics

Due to its unrivaled ability to predict the dynamical evolution of interacting atoms, molecular dynamics (MD) is a widely used computational method in theoretical chemistry, physics, biology, and engineering. Despite its success, MD is only capable of modeling time scales within several orders of magnitude of thermal vibrations, leaving out many important phenomena that occur at slower rates. The Temperature Accelerated Dynamics (TAD) method overcomes this limitation by thermally accelerating the state-to-state evolution captured by MD. Due to the algorithmically complex nature of the serial TAD procedure, implementations have yet to improve performance by parallelizing the concurrent exploration of multiple states. Here we utilize a discrete event-based application simulator to introduce and explore a new Speculatively Parallel TAD (SpecTAD) method. We investigate the SpecTAD algorithm, without a full-scale implementation, by constructing an application simulator proxy (SpecTADSim). Finally, following this method, we discover that a nontrivial relationship exists between the optimal SpecTAD parameter set and the number of CPU cores available at run-time. Furthermore, we find that a majority of the available SpecTAD boost can be achieved within an existing TAD application using relatively simple algorithm modifications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2010

Center for Technology for Advanced Scientific Componet Software (TASCS)

The overall objective of Binghamton's involvement is to work on enhancements of the CCA environment, motivated by the applications and research initiatives discussed in the proposal. This year we are working on re-focusing our design and development efforts to develop proofof-concept implementations that have the potential to significantly impact scientific components. We worked on developing parallel implementations for non-hydrostatic code and worked on a model coupling interface for biogeochemical computations coded in MATLAB. We also worked on the design and implementation modules that will be required for the emerging MapReduce model to be effective for scientific applications. Finally, we focused on optimizing the processing of scientific datasets on multi-core processors.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

SCORE (Synthesis of COnsists as Rolling Energy microgrids) (Final Technical Report)

The SCORE toolset is an open source, web-based application to assess the impact of new powering technologies on railroad performance, specifically technologies capable of both putting power into the rail (motive force) and taking power from the rail (regeneration). SCORE’s primary goal is generate trade studies to analyze different powering and train make-up options to minimize energy usage and greenhouse gas generation. At the core of generating these trade spaces is calculating the optimal powering policy for the train given the makeup of the train, the route, and time constraints. This paper presents details on the algorithms used in SCORE to compute this powering policies that is fast and accurate, discusses its implementation in an Energy-Longitudinal Train Dynamics (E-LTD) model, compares it to naïve approaches, and demonstrates its use across a variety of train/route pairs.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2012

A one-dimensional transient model of a single-stage, downward-firing entrained-flow gasifier

The integrated gasification combined cycle (IGCC) technology has emerged as an attractive alternative to conventional coal-fired power plant technology due to its higher efficiency and cleaner environmental performance especially with the option of CO{sub 2} capture and sequestration. The core unit of this technology is the gasifier whose optimal performance must be understood for efficient operation of IGCC power plants. This need has led a number of researchers to develop gasifier models of varying complexities. Whereas high-fidelity CFD models can accurately predict most key aspects of gasifier performance, they are computationally expensive and typically take hours to days to execute on high-performance computers. Therefore, faster one-dimensional (1D) partial differential equation (PDE)-based models are required for use in dynamic simulation studies, control system analysis, and training applications. A number of 1D gasifier models can be found in the literature, but most are steady-state and have limited application in the practical operation of the gasifier. As a result, 1D PDE-based dynamic models are needed to further study and predict gasifier performance under a wide variety of process conditions and disturbances. In the present study, a 1D transient model of a single-stage downward flow GE/Texaco-type gasifier has been developed. The model comprises mass, momentum and energy balances for the gas and solid phases. The model considers the initial gasification processes of water evaporation and coal devolatilization. In addition, the key heterogeneous and homogeneous chemical reactions have been modeled. The resulting time-dependent PDE model is solved using the well-known method of lines approach in Aspen Custom Modeler®, whereby the PDEs are discretized in the spatial domain and the resulting differential algebraic equations (DAEs) are then solved to obtain the transient response. The transient response of various gasifier performance parameters to certain disturbances commonly encountered in the real world operation of commercial IGCC plants will be presented. These disturbances include ramp and step changes in input variables such as coal flow rate, oxygen-to-coal ratio and water-to-coal ratio, among others. Comparison of gasifier model predictions to available dynamic data will also be discussed.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Performance Portability Evaluation of Fluid-Structure Interaction Simulations on Heterogeneous Platforms

The rapid proliferation of heterogeneous programming languages and multi-vendor hardware has underscored the critical need to evaluate the performance portability of scientific applications. In this work, we present the systematic porting and optimization of a massively parallel fluid-structure interaction code across multiple heterogeneous programming frameworks for deployment on leadership-class supercomputers from major vendors. Our analysis focuses on at-scale performance for simulations involving hundreds of millions of deformable cells, executed on a combination of CPUs and GPUs spanning thousands of nodes on exascale machines. We benchmark the performance of each implementation, highlighting the trade-offs inherent in adopting diverse programming models. Key insights regarding the portability of CUDA on multi-vendor platforms, the superior multi-core CPU performance from SYCL, and architectural considerations on performance optimization are distilled from our experience, offering guidance to other users of high performance computing based on our findings.

Martin, Aristotle [Duke University]↗
DOE OSTI2010

Effect of Fuel Fraction on Small Modified CANDLE Burn-up Based Gas Cooled Fast Reactors

A conceptual design study of Gas Cooled Fast Reactors with Modified CANDLE Burn-up has been performed. The objective of this research is to get optimal design parameters of such type reactors. The parameters of nuclear design including the critical condition, conversion ratio, and burn-up level were compared. These parameters are calculated by variation in the fuel fraction 47.5% up to 70%. Two dimensional full core multi groups diffusion calculations was performed by CITATION code. Group constant preparations are performed by using SRAC code system with JENDL-3.2 nuclear data library. In this design the reactor cores with cylindrical cell two dimensional R-Z core models are subdivided into several parts with the same volume in the axial directions. The placement of fuel in core arranged so that the result of plutonium from natural uranium can be utilized optimally for 10 years reactor operation. Modified CANDLE burn-up was established successfully in a core radial width 1.4 m. Total thermal power output for reference core is 550 MW. Study on the effect of fuel to coolant ratio shows that effective multiplication factor (k{sub eff}) is in almost linear relations with the change of the fuel volume to coolant ratio.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2017

Steady-State Subchannel Thermalhydraulic Assessment of Thorium-Based Fuel Concepts for Use in Pressure Tube Heavy Water Reactors

Thorium is an abundant alternative fertile nuclear fuel that could potentially be implemented in pressure tube heavy water reactors (PT-HWR) in the near future. One of the key stages in developing the thorium-based fuels for PT-HWRs is the reactor core concept, which requires the collaboration of different disciplines, such as neutron physics, thermal-hydraulics, materials, chemistry, safety, and others. Currently there are numerous core concepts under investigation at the Canadian Nuclear Laboratories that involve several types of thorium-based fuels, and that could be implemented in a 700-MWe-class PT-HWR. Four fuel bundle concepts are considered, including i) the reference (or nominal) 37-element bundle; ii) a 37-element modified bundle, with the center element using a different fuel material; iii) a 35-element bundle design, and iv) an 18-element internally cooled annular fuel (ICAF-18) fuel bundle. This study presents preliminary results of the steady-state thermalhydraulic subchannel analyses of the hot channels of different PT-HWR core concepts using thorium-augmented or thorium-based fuels. A follow up study will be initiated to improve the assessment of the proposed cores and associated fuel bundle concepts for thorium-augmented and thorium-based fuels. The computational model will be revisited to include; - Expanding the analysis to cover different power profiles at different burnup stages of the bundle. - Expand the analysis to cover 28.5 kg/s. - Reduce the eccentricity of the 35-element fuel bundle. - Assess the effect of the phenomena not yet included in the subchannel model (such as the effect of cold wall, and gamma heat). - Expand the analysis to include the effect of spacers and junctions. - Compare bundle concepts using other performance indicators (such as burnup, breeding ratio), as optimizing the fuel bundle geometry is a multidisciplinary problem.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Achievements of actively controlled divertor detachment compatible with sustained high confinement core in DIII-D and EAST

The compatibility of efficient divertor detachment with high-performance core plasma is vital to the development of magnetically controlled fusion energy. The joint research on the EAST and DIII-D tokamaks demonstrates successful integration of divertor detachment with excellent core plasma confinement quality, a milestone towards solving the critical plasma–wall-interaction (PWI) issue and core-edge integration for ITER and future reactors. In EAST, actively controlled partial detachment with T et,div ~ 5 eV around the strike point and H 98 > 1 in different H-mode scenarios including the high β P H-mode scenario have been achieved with ITER-like tungsten divertor, by optimizing the detachment access condition and performing detailed experiments for core-edge integration. For active long-pulse detachment feedback control, a 30 s H-mode operation with detachment-control duration being 25 s has been successfully achieved in EAST. DIII-D has achieved actively controlled fully detached divertor with low plasma electron temperature (T et,div ≤ 5 eV across the entire divertor target) and low particle flux (degree of detachment, DoD > 3), simultaneously with very high core performance (β N ~3, β P > 2 and H 98 ~ 1.5) in the high βP scenario being developed for ITER and future reactors. The high-β P high confinement scenario is characterized by an internal transport barrier (ITB) at large radius and a weak edge transport barrier (ETB, or pedestal), which are synergistically self-organized. Both the high-β P scenario and impurity seeding facilitate divertor detachment. The detachment access leads to the reduction of ETB, which facilitates the development of an even stronger ITB at large radius in the high β P scenario. Thus, this strong large radius ITB enables the core confinement improvement during detachment. In conclusion, these significant joint DIII-D and EAST advances on the compatibility of high confinement core and detached divertor show a great potential for achieving a high-performance core plasma suitable for long-pulse operation of fusion reactors with controllable steady-state PWIs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Development of a Multiphase Adjoint Capability in OpenFOAM

Thermal hydraulic predictions of flow regimes within nuclear reactor cores require significant computational resources and accuracy to ensure that the core design does not violate the thermal limits of materials. Multiphase computational fluid dynamics (CFD) has become a valuable computational capability for predicting flow characteristics as they relate to applications such as nuclear reactor safety and mixing phenomena around spacer grids within fuel assemblies. Multiphase CFD requires closure relationships for both the effects of turbulence as well as the transfer of mass, momentum, and energy between phases. Understanding the sensitivity of the parameters used in closure relationships is important for improving accuracy, but performing rigorous sensitivity analysis is computationally expensive. Adjoint mathematics have been utilized for reactor physics and fluid dynamics applications with respect to verification, sensitivity analysis, adaptive mesh refinement, and optimization. The usage of adjoint methods to predict the sensitivities of a variety of closure relationship parameters within a given problem has been shown to return sensitivity responses with significantly fewer computations than normal 'large-scale' methods. As the complexity of multiphase CFD methods increases, the demand for accurate verification tools and improvements in computational efficiency also increases, making the development of adjoint capabilities an attractive option. Closure relationships that describe interphase momentum physics in multiphase CFD modelling rely heavily on prescribed constants determined from experimental data. Due to the computational efficiency of an adjoint approach, the time to derive these closure relationships could be dramatically reduced, and data assimilation techniques could be used to return probability density functions of closure models derived using experimental data. This work develops a multiphase adjoint capability for the Eulerian-Eulerian two field, two phase equations. Specifically, the adjoint capability has been developed for the sub-cooled nucleate boiling solver boilEulerFoam developed by Dr. Nam Dinh of NC State University within the open-source CFD library OpenFOAM.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

BULKI-Store v0.3.2

BULKI-Store is a distributed object storage system optimized for high-performance computing environments. Built with a Rust core and Python bindings, it efficiently manages scientific and machine learning datasets across HPC clusters. The system employs a client-server architecture with MPI integration, enabling seamless scaling on supercomputers like Perlmutter. BULKI-Store's object-oriented approach provides intuitive data organization with rich metadata support, contrasting with traditional file-based solutions. Key optimizations include selective checkpoint loading, unified checkpoint files, and object chunking for large data transfers. For machine learning workloads, BULKI-Store offers advantages through fine-grained access patterns, dynamic data sharing between training instances, and reduced memory pressure. Memory management features include strategic Python GC calls, minimized data copies, and batch processing capabilities. The system leverages Rayon's thread pool for asynchronous data prefetching and supports multiple CPU architectures (ARM64, x86, AMD, RISC-V). By combining performance optimizations with developer-friendly APIs, BULKI-Store addresses the complex data management challenges of modern HPC applications while maintaining compatibility across heterogeneous computing environments.

Zhang, Wei [Lawrence Berkeley National Laboratory ↗