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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 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

High-Performance Sparse Matrix-Matrix Products on Intel KNL and Multicore Architectures

Sparse matrix-matrix multiplication (SpGEMM) is a computational primitive that is vastly used in areas ranging from traditional numerical applications to recent big data analysis and machine learning. While many SpGEMM algorithms have been proposed, hardware specific optimizations for multi- and many-core processors are lacking and a detailed analysis of their performance under various use cases and matrices is not available. We firstly identify and mitigate multiple bottlenecks with memory management and thread scheduling on Intel Xeon Phi (Knights Landing or KNL). Specifically targeting multi- and many-core processors, we develop a hash-table-based algorithm and optimize a heap-based shared-memory SpGEMM algorithm. We investigate their performance together with other publicly available codes. Different from the literature, our evaluation also includes use cases that are representative of real graph algorithms, such as multi-source breadth-first search or triangle counting. Our hash-table and heap-based algorithms are showing significant speedups from libraries in the majority of the cases while different algorithms dominate the other scenarios with different matrix size, sparsity, compression factor and operation type. We wrap up in-depth evaluation results and make a recipe to give the best SpGEMM algorithm for target scenario. In conclusion, a critical finding is that hash-table-based SpGEMM gets a significant performance boost if the nonzeros are not required to be sorted within each row of the output matrix.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Electronic, structural and magnetic studies of niobium borides of group 8 transition metals, Nb{sub 2}MB{sub 2} (M=Fe, Ru, Os) from first principles calculations

The Nb{sub 2}FeB{sub 2} phase (U{sub 3}Si{sub 2}-type, space group P4/mbm, no. 127) is known for almost 50 years, but until now its magnetic properties have not been investigated. While the synthesis of Nb{sub 2}OsB{sub 2} (space group P4/mnc, no. 128, a twofold superstructure of U{sub 3}Si{sub 2}-type) with distorted Nb-layers and Os{sub 2}-dumbbells was recently achieved, “Nb{sub 2}RuB{sub 2}” is still not synthesized and its crystal structure is yet to be revealed. Our first principles density functional theory (DFT) calculations have confirmed not only the experimental structures of Nb{sub 2}FeB{sub 2} and Nb{sub 2}OsB{sub 2}, but also predict “Nb{sub 2}RuB{sub 2}” to crystalize with the Nb{sub 2}OsB{sub 2} structure type. According to chemical bonding analysis, the homoatomic B–B interactions are optimized and very strong, but relatively strong heteroatomic M–B, B–Nb and M–Nb bonds (M=Fe, Ru, Os) are also found. These interactions, which together build a three-dimensional network, are mainly responsible for the structural stability of these ternary borides. The density-of-states at the Fermi level predicts metallic behavior, as expected, from metal-rich borides. Analysis of possible magnetic structures concluded preferred antiferromagnetic ordering for Nb{sub 2}FeB{sub 2}, originating from ferromagnetic interactions within iron chains and antiferromagnetic exchange interactions between them. -- Graphical abstract: Nb{sub 2}FeB{sub 2} (U{sub 3}Si{sub 2} structure type, space group P4/mbm, no. 127) is predicted to order antiferromagnetically, due to the presence of iron chains which show ferromagnetic interactions in the chains and antiferromagnetic interactions between them. “Nb{sub 2}RuB{sub 2}” is predicted to crystallize with the recently discovered Nb{sub 2}OsB{sub 2} twofold superstructure (space group P4/mnc, no. 128) of U{sub 3}Si{sub 2} structure type. The building of ruthenium dumbbells instead of chains along [001] is found to be responsible for the stabilization of this superstructure. Highlights: • Nb{sub 2}FeB{sub 2} is predicted to order antiferromagnetically. • Ferromagnetic interactions found in iron chains and antiferromagnetic ones between them. • Unknown “Nb{sub 2}RuB{sub 2}” predicted to crystallize with a twofold U{sub 3}Si{sub 2} superstructure. • Puckering of Nb-layer and Ru-dumbbell formation responsible for superstructure occurrence.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Persistence of uranium emission in laser-produced plasmas

Detection of uranium and other nuclear materials is of the utmost importance for nuclear safeguards and security. Optical emission spectroscopy of laser-ablated U plasmas has been presented as a stand-off, portable analytical method that can yield accurate qualitative and quantitative elemental analysis of a variety of samples. In this study, optimal laser ablation and ambient conditions are explored, as well as the spatio-temporal evolution of the plasma for spectral analysis of excited U species in a glass matrix. Various Ar pressures were explored to investigate the role that plasma collisional effects and confinement have on spectral line emission enhancement and persistence. The plasma-ambient gas interaction was also investigated using spatially resolved spectra and optical time-of-flight measurements. The results indicate that ambient conditions play a very important role in spectral emission intensity as well as the persistence of excited neutral U emission lines, influencing the appropriate spectral acquisition conditions.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Ultra-high-bandwidth polarization interferometry and optimal quadratic phase detection

A novel homodyne interferometer and analysis method are described which use orthogonal polarization components to measure large rapid changes in interferometric phase, in quadrature, in the presence of strong time-dependent attenuation of the scene beam. Here, this approach overcomes the major sources of error associated with homodyne interferometry (sensitivity nulls, ambiguity in the direction of phase change when passing through a sensitivity null, and intolerance to beam power variations) while maintaining its intrinsic simplicity and speed, enabling extremely high-bandwidth, high-dynamic range measurements limited only by available detector technology. Using this technique, electron density in a magnetized plasma shock was measured with unprecedented bandwidth and resolution, revealing short-timescale features not previously observed.

47 OTHER INSTRUMENTATION↗
DOE OSTI2016

Co-Optimization of Fuels & Engines for Tomorrow's Energy-Efficient Vehicles

A new U.S. Department of Energy (DOE) initiative is accelerating the introduction of affordable, scalable, and sustainable biofuels and high-efficiency, low-emission vehicle engines. The simultaneous fuels and vehicles research and development (R&D) is designed to deliver maximum energy savings, emissions reduction, and on-road vehicle performance. The initiative's integrated approach combines the previously independent areas of biofuels and combustion R&D, bringing together two DOE Office of Energy Efficiency & Renewable Energy research offices, nine national laboratories, and numerous industry and academic partners to more rapidly identify commercially viable solutions. This multi-year project will provide industry with the scientific underpinnings required to move new biofuels and advanced engine systems to market faster while identifying and addressing barriers to their commercialization. This project's ambitious, first-of-its-kind approach simultaneously tackles fuel and engine innovation to co-optimize performance of both elements and provide dramatic and rapid cuts in fuel use and emissions.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Hierarchical Resilience Planning for Networked Microgrids: A Case Study of Puerto Rico

Microgrids can be designed to enhance the energy resilience of communities and critical infrastructures, such as hospitals, data centers, and communication networks, which are vulnerable to frequent weather-related disruption. Coordinating multiple microgrids in a network can leverage the geographical diversity of load and generation resources while enabling resilient and cost-effective planning of the distribution system. Designing a networked microgrid is complex, involving intricate technical assessment, cost-benefit analysis, site-specific requirements, and the evaluation of existing resources. Therefore, this paper proposes a hierarchical resilience planning framework and performs an extensive techno-economic analysis for the design of a networked microgrid. Hierarchical resilience planning involves technology sizing at an individual community level to meet the critical load and satisfy resilience criteria, and resource optimization at networked microgrid level to provide a higher level of resilience and energy adequacy. A real-world case of Puerto Rico's cooperative microgrid “Microrred de la Montaña” is investigated considering localized electricity tariffs, site-specific demand profiles, solar generation, and existing hydro resources. Multiple optimization scenarios are developed based on the resiliency requirement to estimate the capacity of solar photovoltaic and battery energy storage (BES) to be installed at each substation. The results provide the optimal sizing for individual community and networked microgrid to withstand 1day and 3-day outages along with the criteria for critical load.

13 - HYDRO ENERGY↗
DOE OSTI2024

Heat transfer optimization of uo 2 -mo fuel using genetic algorithms

Two genetic algorithm (GA) methods were applied to thermal finite element models to optimize the heat transfer efficacy of a UO 2 -Mo composite fuel pellet with typical pressurized water reactor fuel geometry. Mo additions to UO 2 have been shown to increase the thermal conductivity, thus reducing centerline temperatures and temperature gradients. Previous studies evaluated uniformly dispersed Mo or continuous Mo internal geometries (e.g., fins, plates, discs) that were selected using engineering intuition. The current study uses two different implementations of the same GA to optimize Mo placement and minimize the fuel temperature with the only constraint being a maximum 10% Mo volume fraction. One approach superimposed Mo line elements onto the monolithic UO 2 pellet model, and the other converted entire UO 2 volume elements to Mo. The former method generated 1D heat transfer connections between nodes, whereas the latter method allowed for the formation of 3D structures. Features of the optimal fuel design produced by the GAs included dispersed Mo near the centerline that shifted the peak fuel temperature outward by 0.6 mm, Mo chains in the high-heat-flux region in the mid-to-outer radial zone, and a large continuous structure that spanned the full radius and height of the pellet and accounted for 87.7 % of the total Mo in the pellet. Analysis of this design indicates that the optimal Mo configuration is a balance between creating continuous heat transfer pathways and optimally dispersing Mo to minimize the heat transfer distance through UO 2 . This architecture ultimately produced an effective thermal conductivity of 11.3 W/m·K under the assumed boundary conditions. This result is higher than any previous values from the literature. In conclusion, potential fabrication methods and challenges are discussed in addition to the implications on fuel performance.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Trajectory design via unsupervised probabilistic learning on optimal manifolds

Abstract This article illustrates the use of unsupervised probabilistic learning techniques for the analysis of planetary reentry trajectories. A three-degree-of-freedom model was employed to generate optimal trajectories that comprise the training datasets. The algorithm first extracts the intrinsic structure in the data via a diffusion map approach. We find that data resides on manifolds of much lower dimensionality compared to the high-dimensional state space that describes each trajectory. Using the diffusion coordinates on the graph of training samples, the probabilistic framework subsequently augments the original data with samples that are statistically consistent with the original set. The augmented samples are then used to construct conditional statistics that are ultimately assembled in a path planning algorithm. In this framework, the controls are determined stage by stage during the flight to adapt to changing mission objectives in real-time.

42 ENGINEERING↗
DOE OSTI2016

Program optimizations: The interplay between power, performance, and energy

Practical considerations for future supercomputer designs will impose limits on both instantaneous power consumption and total energy consumption. Working within these constraints while providing the maximum possible performance, application developers will need to optimize their code for speed alongside power and energy concerns. This paper analyzes the effectiveness of several code optimizations including loop fusion, data structure transformations, and global allocations. A per component measurement and analysis of different architectures is performed, enabling the examination of code optimizations on different compute subsystems. Using an explicit hydrodynamics proxy application from the U.S. Department of Energy, LULESH, we show how code optimizations impact different computational phases of the simulation. This provides insight for simulation developers into the best optimizations to use during particular simulation compute phases when optimizing code for future supercomputing platforms. Here, we examine and contrast both x86 and Blue Gene architectures with respect to these optimizations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

System Design, Analysis, and Modeling Activities Supporting the DOE Hydrogen Storage Engineering Center of Excellence (HSECoE): Final Project Report

The objective of this project was to identify optimal pathways for successful hydrogen storage system technology through modeling, analysis, and testing support. The National Renewable Energy Laboratory (1) performed vehicle simulations of various system configurations to support the overall systems engineering, (2) led the storage system energy analysis and provided the Hydrogen Storage Engineering Center of Excellence (HSECoE) with results to help guide engineering design, and (3) compiled and obtained media engineering properties for the HSECoE.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2019

Neutronic Design and Analysis of the Holos-Quad Concept

HolosGen, LLC is proposing a highly innovative micro-reactor concept targeting both civilian and military applications. It consists of an advanced helium-cooled gas reactor using a turbojet-type turbine and compressor to achieve a highly condensed reactor that fits into a commercial ISO container. The Holos-Quad concept being considered for civilian applications will generate 22MWt, using four Subcritical Power Modules (SPMs) that fit into one 40-foot ISO container. It is a high-temperature gas-cooled reactor concept using TRISO fuel distributed in graphite hexagonal blocks, cooled with helium gas at 7MPa and a high outlet temperature. In FY2019, HolosGen, LLC received an ARPA-E MEITNER grant to team up with the Argonne National Laboratory (ANL) design team to demonstrate the feasibility of the Holos-Quad concept in terms of neutronics. In particular, the evaluation study of the Holos design features and alternative options for reactivity control was considered. Through these tasks, the ANL design team has been working on demonstrating the feasibility of the Holos-Quad concept in terms of neutronics to help advance the core design of the Holos-Quad. A rigorous design approach was employed for the Holos-Quad in order to ensure that the input space is fully investigated, and that the best solutions are considered. The first step of this approach consisted of properly defining the Holos-Quad design problem by identifying the competitive design objectives: its economic performance is maximized with longer lifetime and its transportability to remote locations is maximized with reduced weight. The design problem also required to identify the operational constraints (in terms of thermal hydraulics, reactivity feedback and shutdown margins) and the input parameters that could be varied. In the second step, a sensitivity analysis was performed to enable preliminary investigation of the input space to identify the correlations among input and output variables. It allowed, for instance, to find input parameters that have relatively poor impact on the core performance and that could be removed from the optimization problem to accelerate its convergence. This sensitivity analysis showed that the design problem defined is highly constrained since only 117 solutions out of 1,000 simulated cores met all the design constraints. The design optimization was performed in the third step employing a genetic algorithm to effectively explore this highly constrained input space and find global optimal solutions. More than 2,500 cores were fully evaluated to converge to a Pareto Frontier of optimum solutions providing best compromise between the life-time target and the total core weight, as shown in Figure 1. The main benefit of this approach was to reduce the human effort and to be able to automatically re-run the optimization problem when changing the design problem. The multi-objective optimization identified various core solutions that would be optimum solutions for different types of applications.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Constrained model calibration of grain structure dependent spall dynamics in shock-loaded tantalum

Here, we perform a gas gun experiment by shock loading tantalum samples of varying grain structures to assess the suitability of a numerical model for simulating spall behavior. The observed differences in spall strength, as well spallation and re-compression history, are not captured in uncalibrated hydrodynamic simulations. An optimization is performed on the Johnson spall model to determine the best parameters that fit the observed trends. Linear stability analysis is employed to motivate bounds on those parameters. Herein, optimized simulations agree well with the experimental results, reproducing pullback depth and recompression timescales across the different samples tested. Further, the observed pullback time of the single crystal sample was found to imply, via the stability analysis, a percolation threshold in good agreement with the theoretical value for a body centered cubic lattice. Therefore, the combined linear stability and percolation analysis shows promise and may be applied to other materials with diverse microstructures. Collectively, the findings demonstrate that the model is suitable for reproducing spall-induced free surface behavior across various microstructures, but also points to caution in using model coefficients for uncalibrated microstructures.

58 GEOSCIENCES↗
DOE OSTI2024

Liquid lithium divertor analysis using coupled plasma material interaction model

A liquid lithium divertor can improve performance of future fusion devices by creating efficient power exhaust and improving the energy confinement via pumping of the hydrogen isotopes. In addition, significantly higher heat fluxes can be handled if controlled vapor shielding is used to redistribute the divertor heat flux over a wider area. Design and optimization of such a system calls for an analysis model which includes a strong two-way coupling between the plasma and divertor material. The incoming plasma heat and particle flux will affect the divertor surface temperature, which is a defining factor of the lithium evaporative and sputtered flux going into the plasma. Results of the coupled model based on the plasma edge code SOLPS-ITER and the computational fluid dynamics (CFD) code ANSYS-CFX will be presented for different configurations. An analytical slab flow model is used as a heat transfer boundary condition for SOLPS, defining particle flux from the wall via calculation of the surface temperature. At the final step, results of the SOLPS analysis are verified using a 3D CFD magnetohydrodynamics (MHD) analysis which uses heat and particle flux from SOLPS as a boundary condition. In addition to plasma heat flux, both analytical and CFD temperature models include several plasma material interaction effects, such as lithium evaporation, condensation and sputtering based on deuterium target flux. New adatom sputtering model based on the available experimental data is presented. Analytical model is expanded to include free surface axisymmetric configurations. Results of parametric studies of the divertor configurations with different lithium inlet temperature and velocity will be presented leading to the optimal design resulting in the lowest possible lithium contamination in the core.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Cryogenic system for the MYRRHA superconducting linear accelerator

SCK⋅CEN, the Belgian Nuclear Research Centre, is designing MYRRHA, a flexible fast spectrum research reactor (80 MW{sub th}), conceived as an accelerator driven system (ADS), able to operate in sub-critical and critical modes. It contains a continuous-wave (CW) superconducting (SC) proton accelerator of 600 MeV, a spallation target and a multiplying core with MOX fuel, cooled by liquid lead-bismuth (Pb-Bi). From 17 MeV onward, the SC accelerator will consist of 48 β=0.36 spoke-loaded cavities (352 MHz), 34 β=0.47 elliptical cavities (704 MHz) and 60 β=0.65 elliptical cavities (704 MHz). We present an analysis of the thermal loads and of the optimal operating temperature of the cryogenic system. In particular, the low operating frequency of spoke cavities makes their operation in CW mode possible both at 4.2 K or at 2 K. Our analysis outlines the main factors that determine at what temperature the spoke cavities should be operated. We then present different cryogenic fluid distribution schemes, important characteristics (storage, transfer line, etc.) and the main challenges offered by MYRRHA in terms of cryogenics.

43 PARTICLE ACCELERATORS↗
DOE OSTI2013

Cosmology with the largest galaxy cluster surveys: going beyond Fisher matrix forecasts

We make the first detailed MCMC likelihood study of cosmological constraints that are expected from some of the largest, ongoing and proposed, cluster surveys in different wave-bands and compare the estimates to the prevalent Fisher matrix forecasts. Mock catalogs of cluster counts expected from the surveys — eROSITA, WFXT, RCS2, DES and Planck, along with a mock dataset of follow-up mass calibrations are analyzed for this purpose. A fair agreement between MCMC and Fisher results is found only in the case of minimal models. However, for many cases, the marginalized constraints obtained from Fisher and MCMC methods can differ by factors of 30-100%. The discrepancy can be alarmingly large for a time dependent dark energy equation of state, w(a); the Fisher methods are seen to under-estimate the constraints by as much as a factor of 4-5. Typically, Fisher estimates become more and more inappropriate as we move away from ΛCDM, to a constant-w dark energy to varying-w dark energy cosmologies. Fisher analysis, also, predicts incorrect parameter degeneracies. There are noticeable offsets in the likelihood contours obtained from Fisher methods that is caused due to an asymmetry in the posterior likelihood distribution as seen through a MCMC analysis. From the point of mass-calibration uncertainties, a high value of unknown scatter about the mean mass-observable relation, and its redshift dependence, is seen to have large degeneracies with the cosmological parameters σ{sub 8} and w(a) and can degrade the cosmological constraints considerably. We find that the addition of mass-calibrated cluster datasets can improve dark energy and σ{sub 8} constraints by factors of 2-3 from what can be obtained from CMB+SNe+BAO only . Finally, we show that a joint analysis of datasets of two (or more) different cluster surveys would significantly tighten cosmological constraints from using clusters only. Since, details of future cluster surveys are still being planned, we emphasize that optimal survey design must be done using MCMC analysis rather than Fisher forecasting.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Data for Optimizing Chemical-Free Pretreatment for Maximizing Oil/Lipid Recovery from Transgenic Bioenergy Crops and its Rapid Analysis Using Time Domain-NMR

Transgenic bioenergy crops have shown the potential to produce vegetative oil by accumulating energy-rich triacylglyceride molecules that can be converted into biofuels (biodiesel and biojet). These transgenic crops cater to improved biofuel yield by providing lipids along with cellulosic sugars. Efficient bioprocessing technologies are needed to utilize these transgenic plants to their maximum potential. To this end, this study investigates a low- and high-severity chemical-free hydrothermal pretreatment of transgenic oilcane 1566 bagasse with in situ lipids to maximize the recovery of lipids for biodiesel and fermentable sugars for ethanol with minimal inhibitor generation. Hydrothermal pretreatment at 170°C recovered ∼25% of total lipids in the pretreatment liquor, leaving the remainder in bagasse residue for hexane recovery post fermentation. The recovery of lipids in pretreatment liquor remained constant beyond 170°C. Along with lipids, ∼35% w/w and ∼50% w/w fermentable sugars were recovered post saccharification from bagasse pretreated at 170°C and 210°C for 20 min, respectively. Hydrothermal pretreatment at 170°C for 20 min provided the optimum conditions for maximum recovery of lipids and cellulosic sugars that resulted in enhanced biofuel yield per unit biomass. High severity pretreatment increased the generation of inhibitors beyond the tolerance of fermentation microorganisms. In addition, the application of time-domain proton NMR spectroscopy was extended to bioprocessing. NMR technology facilitated the analysis of total lipids, the composition of fatty acids, and the characterization of free and bound lipids in untreated and pretreated oilcane 1566 bagasse subsequent to each step of biomass to biofuel conversion.

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