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At least 649 records · Page 36

A Locality-Based Threading Algorithm for the Configuration-Interaction Method

The Configuration Interaction (CI) method has been widely used to solve the non-relativistic many-body Schrodinger equation. One great challenge to implementing it efficiently on manycore architectures is its immense memory and data movement requirements. To address this issue, within each node, we exploit a hybrid MPI+OpenMP programming model in lieu of the traditional flat MPI programming model. Here in this paper, we develop optimizations that partition the workloads among OpenMP threads based on data locality,-which is essential in ensuring applications with complex data access patterns scale well on manycore architectures. The new algorithm scales to 256 threadson the 64-core Intel Knights Landing (KNL) manycore processor and 24 threads on dual-socket Ivy Bridge (Xeon) nodes. Compared with the original implementation, the performance has been improved by up to 7× on theKnights Landing processor and 3× on the dual-socket Ivy Bridge node.

97 MATHEMATICS AND COMPUTING↗

A High Performance Block Eigensolver for Nuclear Configuration Interaction Calculations

As on-node parallelism increases and the performance gap between the processor and the memory system widens, achieving high performance in large-scale scientific applications requires an architecture-aware design of algorithms and solvers. We focus on the eigenvalue problem arising in nuclear Configuration Interaction (CI) calculations, where a few extreme eigenpairs of a sparse symmetric matrix are needed. Here, we consider a block iterative eigensolver whose main computational kernels are the multiplication of a sparse matrix with multiple vectors (SpMM), and tall-skinny matrix operations. We then present techniques to significantly improve the SpMM and the transpose operation SpMM T by using the compressed sparse blocks (CSB) format. We achieve 3-4× speedup on the requisite operations over good implementations with the commonly used compressed sparse row (CSR) format. We develop a performance model that allows us to correctly estimate the performance of our SpMM kernel implementations, and we identify cache bandwidth as a potential performance bottleneck beyond DRAM. We also analyze and optimize the performance of LOBPCG kernels (inner product and linear combinations on multiple vectors) and show up to 15× speedup over using high performance BLAS libraries for these operations. The resulting high performance LOBPCG solver achieves 1.4× to 1.8× speedup over the existing Lanczos solver on a series of CI computations on high-end multicore architectures (Intel Xeons). We also analyze the performance of our techniques on an Intel Xeon Phi Knights Corner (KNC) processor.

97 MATHEMATICS AND COMPUTING↗

A Configuration Based Pumped Storage Hydro Model in the MISO Day-Ahead Market

Pumped storage hydro units (PSHU) can provide flexibility to power systems. This becomes particularly valuable in recent years with the increasing shares of intermittent renewable resources. However, due to emphasis on thermal generation in the current market practices, the flexibility from PSHUs have not been fully explored and utilized. This paper proposes a configuration based pumped storage hydro (PSH) model for the day-ahead market, in order to enhance the use of PSH resources in the system. A strategic design of incorporating and fully optimizing PSHUs in the day-ahead market is presented. Here, we show the compactness of the proposed model. Numerical studies are presented in an illustrative test system and the Midcontinent Independent System Operator (MISO) system.

13 HYDRO ENERGY↗

Optimizing the Configuration of the Magnetic Deflection System of an Electron Spectrometer

The results of examination of the magnetic field produced in an electron spectrometer with permanent magnets are presented. The potential to optimize the configuration of the deflection system of this spectrometer using low-coercivity screens is demonstrated. These screens balance out the edge effects at the analyzer input and make the field in the gap more uniform.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Gas-puff liner implosion in the configuration with helical current return rods

Results of experiments with double-shell gas-puff liners carried out on a high-current MIG generator (2 MA, 80 ns) are presented. To stabilize the process of liner implosion and increase the efficiency of energy transfer from the generator to the liner plasma, a current return in the form of a multifilar helix was used. The effect of the configuration of the current return on the parameters of the generated pulses of argon and neon K-shell radiation (with photon energies of 3-5 and 0.9-1.5 keV, respectively) and the neutron yield from a deuterium liner were studied.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Regimes of pulsed formation of a compact plasma configuration with a high energy input

Results of experiments on the formation of a compact toroidal magnetic configuration at the Compact Toroid Challenge setup are presented. The experiments were primarily aimed at studying particular formation stages. Two series of experiments, with and without an auxiliary capacitor bank, were conducted. The magnetic field was measured, its time evolution and spatial distribution over the chamber volume were determined, and its influence on the formation regimes was investigated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Spatial configuration of a plasma bunch formed under gyromagnetic resonance in a magnetic mirror trap

The spatial configuration of a relativistic plasma bunch generated under the gyromagnetic autoresonance and confined in a magnetic mirror trap has been studied experimentally and numerically. The characteristics of bremsstrahlung generated by the plasma bunch from the gas and chamber walls were investigated using X-ray spectroscopy and radiometry, which made it possible to determine the localization of the bunch and analyze the dynamics of its confinement.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Nonthermal plasmas around black holes, relevant collective modes, new configurations, and magnetic field amplification

The radiation emission from Shining Black Holes is most frequently observed to have nonthermal features. It is therefore appropriate to consider relevant collective processes in plasmas surrounding black holes that contain high energy particles with nonthermal distributions in momentum space. A fluid description with significant temperature anisotropies is the simplest relevant approach. These anisotropies are shown to have a critical influence on: (a) the existence and characteristics of stationary plasma and field ring configurations, (b) the excitation of “thermo-gravitational modes” driven by temperature anisotropies and gradients that involve gravity and rotation, (c) the generation of magnetic fields over macroscopic scale distances, and (d) the transport of angular momentum.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Linear Transformation of Electromagnetic Wave Beams of the Electron-Cyclotron Range in Toroidal Magnetic Configurations

The field structure of quasi-optical wave beams tunneled through the evanescence region in the vicinity of the plasma cutoff in a nonuniform magnetoactive plasma is analyzed. This problem is traditionally associated with the process of linear transformation of ordinary and extraordinary waves. An approximate analytical solution is constructed for a rather general magnetic configuration applicable to spherical tokamaks, optimized stellarators, and other magnetic confinement systems with a constant plasma density on magnetic surfaces. A general technique for calculating the transformation coefficient of a finite-aperture wave beam is proposed, and the physical conditions required for the most efficient transformation are analyzed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Magnetization Reversal of Permalloy Microparticles with the Configuration Anisotropy by Magnetic-Force Microscopy

Abstract—Magnetic force microscopy has been used to study the distribution of the magnetization in permalloy microparticles with a configurational anisotropy. The triangular particles with different degrees of concavity of the lateral sides have been studied. An analysis of the results enables us to state that the particles can be in several quasi-homogeneous stable states. It is shown that the particle magnetization reversal can occur both stepwise and also via an intermediate state in the dependence on the particle orientation. It is demonstrated that the quasi-homogeneous magnetization orientation in a particle can be changed by a magnetic-force microscope probe.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

HERO WEC 2024 - Electrical Configuration Deployment Data

The following submission includes raw and processed electrical configuration deployment data from the in water deployment of NREL's Hydraulic and Electric Reverse Osmosis Wave Energy Converter (HERO WEC), in the form of parquet files, TDMS files, CSV files, bag files, and MATLAB workspaces. This dataset was collected in April 2024 at the Jennette's pier test site in North Carolina. Raw data as TDMS, CSV, and bag files are provided here alongside processed data in the form of MATLAB workspaces and Parquet files. This dataset includes the Python code used to process the data and MATLAB scripts to visualize the processed data. All data types, calculations, and processing is described in the included "Data Descriptions" document. All files in this dataset are described in detail in the included README. This data set has been developed by the National Renewable Energy Laboratory, operated by Alliance for Sustainable Energy, LLC, for the U.S. Department of Energy (DOE) under Contract No. DE-AC36-08GO28308. Funding provided by the U.S. Department of Energy Office of Energy Efficiency and Renewable Energy Water Power Technologies Office.

16 TIDAL AND WAVE POWER↗

Laboratory and Field Characterization of the Electrical Response of Modules Containing Configurable Current Cells (C3) Under Non-Optimal Conditions Such as Shading (Final Report)

This work is to be conducted in support of the American Made Challenges Solar Prize. The intent is to connect competitor teams with national laboratories that can help accelerate the development of innovative solutions and products. Teams who have won the Set! and Go! Contests are eligible to utilize vouchers at national laboratories to advance their ideas. Laboratory and field characterization of the electrical response of modules containing Configurable Current Cells (C3) under non-optimal conditions such as shading.

14 SOLAR ENERGY↗

Optimization of the configuration of manufacturing systems

Software for optimizing the configuration of manufacturing systems so as to reduce expenditures in all stages of the product life cycle is considered. Mathematical expressions are given for the three crossover operators used in the genetic optimization algorithm. A computational experiment indicates the most effective crossover operator.

42 ENGINEERING↗

Relativistic Configuration-Interaction and Perturbation Theory Calculations of the Sn XV Emission Spectrum

Recently, there has been increased interest in developing advanced bright sources for lithography. Sn ions are particularly promising due to their bright emission spectrum in the required wavelength range. Cowan’s code has been used to model the emission; however, it has adjustable parameters, which limit its predictive power, and it has limited relativistic treatment. Here, we present calculations based on ab initio relativistic configuration-interaction many-body perturbation theory (CI-MBPT), with relativistic corrections included at the Dirac-Fock level and core-polarization effects with the second-order MBPT. As a proof of principle that the theory is generally applicable to other Sn ions with proper development, we focused on one ion where direct comparison with experimental observations is possible. The theory can also be used for ions of other elements to predict emissions for optimization of plasma-based bright sources.

74 ATOMIC AND MOLECULAR PHYSICS↗

Relativistic Configuration-Interaction and Perturbation Theory Calculations for Heavy Atoms

Heavy atoms present challenges to atomic theory calculations due to the large number of electrons and their complicated interactions. Conventional approaches such as calculations based on Cowan’s code are limited and require a large number of parameters for energy agreement. One promising approach is relativistic configuration-interaction and many-body perturbation theory (CI-MBPT) methods. We present CI-MBPT results for various atomic systems where this approach can lead to reasonable agreement: La I, La II, Th I, Th II, U I, Pu II. Among atomic properties, energies, g-factors, electric dipole moments, lifetimes, hyperfine structure constants, and isotopic shifts are discussed. While in La I and La II accuracy for transitions is better than that obtained with other methods, more work is needed for actinides.

74 ATOMIC AND MOLECULAR PHYSICS↗