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At least 1,639 records · Page 91

Model independent x-ray standing wave analysis of periodic multilayer structures

We present a model independent approach for the analysis of X-ray fluorescence yield modulated by an X-ray standing wave (XSW), that allow a fast reconstruction of the atomic distribution function inside a sample without fitting procedure. The approach is based on the direct regularized solution of the system of linear equations that characterizes the fluorescence yield. The suggested technique was optimized for, but not limited to, the analysis of periodic layered structures where the XSW is formed under Bragg conditions. The developed approach was applied to the reconstruction of the atomic distribution function for LaN/BN multilayers with 50 periods of 43 Å thick layers. The object is especially difficult to analyze with traditional methods, as the estimated thickness of the interface region between the constituent materials is comparable to the individual layer thicknesses. However, using the suggested technique, it was possible to reconstruct width of the La atomic distribution showing that the La atoms stay localized within the LaN layers and interfaces and do not diffuse into the BN layer. The analysis of the reconstructed profiles showed that the positions of the center of the atomic distribution function can be estimated with an accuracy of 1 Å.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DESCQA: An Automated Validation Framework for Synthetic Sky Catalogs

The use of high-quality simulated sky catalogs is essential for the success of cosmological surveys. The catalogs have diverse applications, such as investigating signatures of fundamental physics in cosmological observables, understanding the effect of systematic uncertainties on measured signals and testing mitigation strategies for reducing these uncertainties, aiding analysis pipeline development and testing, and survey strategy optimization. The list of applications is growing with improvements in the quality of the catalogs and the details that they can provide. Given the importance of simulated catalogs, it is critical to provide rigorous validation protocols that enable both catalog providers and users to assess the quality of the catalogs in a straightforward and comprehensive way. For this purpose, we have developed the DESCQA framework for the Large Synoptic Survey Telescope Dark Energy Science Collaboration as well as for the broader community. The goal of DESCQA is to enable the inspection, validation, and comparison of an inhomogeneous set of synthetic catalogs via the provision of a common interface within an automated framework. Here in this paper, we present the design concept and first implementation of DESCQA. In order to establish and demonstrate its full functionality we use a set of interim catalogs and validation tests. We highlight several important aspects, both technical and scientific, that require thoughtful consideration when designing a validation framework, including validation metrics and how these metrics impose requirements on the synthetic sky catalogs.

79 ASTRONOMY AND ASTROPHYSICS↗

Electrical design analysis and breakdown voltage test aspects of indigenously developed electrical breaks at Cryo temperatures

Electrical insulation breaks are very critical component of large-scale fusion devices employing superconducting magnets and are used to insulate electrically the coil and the cryogenic supply line (kept at ground potential). The electrical insulation of breaks consists of the composites insulations, G-10 GFRP (Glass fiber reinforced plastic), cryogenic compatible epoxy and S-glass boron free fiber in air and helium environment under vacuum. To optimize the design parameters, the detailed electrical analysis have been carried out using the electrostatic solid axi-symmetric model by COMSOL 4.1 multiphysics software for electrodes separation, electrical field strength as well as flashover phenomenon between two electrodes with composite insulator material have been analyzed at different surfaces and contours along with by varying gaps between SS electrodes. We have carried out the high voltage breakdown test (0-35) kV, insulation resistance measurement at 0-5 kV test voltage in Paschen condition of (10{sup 3} -10{sup -5}) mbar in helium gas and air environment at 300 K and 77 K experimentally on in-house developed insulation breaks. (author)

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Systems Analysis Approach to Polyethylene Terephthalate and Olefin Plastics Supply Chains in the Circular Economy: A Review of Data Sets and Models

The environmental and economic impacts of implementing a circular economy in plastic waste supply chains are not well understood. The proposed systems analysis framework assesses environmental, social, and economic impacts of plastic waste supply chains in a circular economy. The first objective of this article is to identify datasets, models and knowledge gaps associated with waste plastic supply chain processes, mainly in the U.S. Our literature review indicated that the best datasets exist for virgin plastic resin production, mechanical recycling, landfilling, and incineration, with materials recovery facility being intermediate, and with chemical recycling the lowest. The second objective of this article is to develop an illustrative application of the framework by conducting a preliminary systems analysis of PET bottles with closed-loop recycling. Here, the preliminary systems analysis of PET bottles utilized a linear programming optimization method. Our optimization model indicated that both chemical and mechanical recycling processes are needed to achieve a true circular economy of PET bottles with the least greenhouse gas emissions, specifically reductions of 24% when compared with the linear economy. Good quality and standardized life cycle assessment and techno-economic analysis studies are needed to better understand the environmental, economic, and social impacts of advanced sorting and chemical recycling technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Thermal Storage System for Electric Vehicle Cabin Heating Component and System Analysis

Cabin heating of current electric vehicle (EV) designs is typically provided using electrical energy from the traction battery, since waste heat is not available from an engine as in the case of a conventional automobile. In very cold climatic conditions, the power required for space heating of an EV can be of a similar magnitude to that required for propulsion of the vehicle. As a result, its driving range can be reduced very significantly during the winter season, which limits consumer acceptance of EVs and results in increased battery costs to achieve a minimum range while ensuring comfort to the EV driver. To minimize the range penalty associated with EV cabin heating, a novel climate control system that includes thermal energy storage from an advanced phase change material (PCM) has been designed for use in EVs and plug-in hybrid electric vehicles (PHEVs). The present paper focuses on the modeling and analysis of this electrical PCM-Assisted Thermal Heating System (ePATHS) and is a companion to the paper Design and Testing of a Thermal Storage System for Electric Vehicle Cabin Heating. A detailed heat transfer model was developed to simulate the PCM heat exchanger that is at the heart of the ePATHS and was subsequently used to analyze and optimize its design. The results from this analysis were integrated into a MATLAB Simulink system model to simulate the fluid flow, pressure drop and heat transfer in all components of the ePATHS. The system model was then used to predict the performance of the climate control system in the vehicle and to evaluate control strategies needed to achieve the desired temperature control in the cabin. The analysis performed to design the ePATHS is described in detail and the system s predicted performance in a vehicle HVAC system is presented.

cabin heating↗

Percheron Power Archimedes Screw Turbine Analysis (Abstract)

The development of the Percheron Power (Percheron) composite Archimedes screw turbine (AST) is based upon employing newly developed theoretical mathematical models for optimizing the water volume carried through the AST for a given diameter, combined with minimizing efficiency losses due to bypass flow and friction. The key feasibility issues associated with producing the composite blades will be to understand the strength, fatigue, and wear performance of the AST blades and associated components, and how these factors change along the length of the turbine. To get to this understanding of material property requirements, Percheron needs free-surface computational fluid dynamics (CFD) models of the AST designs and to perform interactive modeling between the turbine blade optimization and component design based on finite element method stress analysis (FEA). The workscope and analyses requested by Percheron in the Small Business Voucher (SBV) program are well aligned with PNNL capability and recent work experience in performing CFD and FEA analysis for hydropower and marine energy turbines. The CFD analysis will provide estimates of power, efficiency, and surface forces on the blades. The forces on the blade will be transferred to the FEA analysis that will be used to evaluate the material stresses. The CFD and FEA analyses will be repeated for different AST designs provided to PNNL by Percheron. The work conducted in this SBV project will complement the existing Percheron FOA project by providing better defined parameters for design and material selection for the turbine unit prior to manufacture of initial test units.

42 ENGINEERING↗

Primordial non-Gaussianity from the completed SDSS-IV extended Baryon Oscillation Spectroscopic Survey II: measurements in Fourier space with optimal weights

ABSTRACT We present measurements of the local primordial non-Gaussianity parameter $f_{\mathrm{NL}}^\mathrm{local} $from the clustering of 343 708 quasars with redshifts 0.8 < z < 2.2 distributed over 4808 deg2 from the final data release (DR16) of the extended Baryon Acoustic Oscillation Spectroscopic Survey (eBOSS), the largest volume spectroscopic survey up to date. Our analysis is performed in Fourier space, using the power spectrum monopole at very large scales to constrain the scale-dependent halo bias. We demonstrate the robustness of our analysis pipeline with EZ-mock catalogues that simulate the eBOSS DR16 target selection. We carefully assess the impact of systematics on our measurement, exploiting a novel neural network scheme for cleaning the DR16 sample as well as test multiple contamination removal methods. We estimate the bias due to the overcorrection of the systematic removal to be sub-dominant compared to the statistical uncertainty. We find fNL = −12 ± 21 (68 per cent confidence) for the main clustering sample including quasars with redshifts between 0.8 and 2.2, after applying redshift weighting techniques, designed for non-Gaussianity measurement from large scales structure, to optimize our analysis, which improve our results by 37 per cent.

79 ASTRONOMY AND ASTROPHYSICS↗

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↗

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↗

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 ↗

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↗

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↗

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↗

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↗

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↗

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↗

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↗

SLC Interferometer System and Phase Distribution Upgrades

Many of the components used in the Stanford Linear Collider (SLC) phasing system date back 30 years to the construction of SLAC. At the start of SLC the phase reference system was upgraded with many of the original components remaining. The R.F. drive system phase stability requirements became tighter with operation and optimization of the SLC. This paper describes analysis done on the R.F. drive system and interferometer system during the 1996 run and down time, modifications to the systems during the 1996-97 down time, and the improvements in stability from the modifications.

43 PARTICLE ACCELERATORS↗