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At least 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Drift kinetic electrostatic simulations of the edge localized mode heat pulse

In the present work, electrostatic drift kinetic simulations of parallel plasma transport within the tokamak scrape-off layer (SOL) are conducted using the COGENT code. The SOL configuration is represented in one-dimensional slab geometry, incorporating a heat source localized in the midplane. The heat source parameters correspond to those characterizing edge-localized modes observed in the Joint European Torus (JET) tokamak. The numerical model includes kinetic treatment of both ions and electrons, a simplified model for the gyrokinetic Poisson equation that allows one to step over short time scales associated with fast electrostatic shear Alfvèn waves, and the logical sheath boundary condition (LSBC) that enforces global system quasineutrality. A third-order accurate LSBC is derived to be consistent with the third-order accurate upwind advection scheme utilized in the code, and it was shown to noticeably impact the simulation results, especially parallel heat flux at the target plate. The findings of this study are in agreement with results from preceding fluid and kinetic simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Enhanced accuracy through ensembling of randomly initialized auto-regressive models for dynamical systems

Computational mechanics simulations using traditional finite element methods (FEM) require prohibitively expensive computational resources for real-time engineering applications, design optimization, and digital twin implementations. While machine learning (ML) surrogate models offer significant computational speedups, autoregressive ML models for time-dependent mechanical systems suffer from error accumulation that compromises long-term prediction reliability - a critical concern for engineering applications where accuracy over extended time horizons is essential for safety and performance assessments. Here, we propose a deep ensemble framework specifically designed to address this challenge in computational mechanics applications, where multiple ML surrogate models with random weight initializations are trained in parallel and their predictions aggregated during inference. This approach leverages statistical diversity to maximize information gain from a fixed set of training data and to mitigate error propagation, while maintaining the computational efficiency that makes ML surrogates attractive for engineering practice. We validate the framework on three representative problems spanning critical areas of computational mechanics: stress field evolution in heterogeneous microstructures under complex loading (relevant to advanced materials design and composite analysis), planetary-scale shallow water dynamics (applicable to environmental and geotechnical engineering), and Gray-Scott reaction-diffusion systems (relevant to mass transport and chemical process engineering). Across all test cases, the ensemble approach demonstrates consistent error reduction of 15-33% compared to individual models. The codes for this work are available on GitHub (https://github.com/Graham-Brady-Research-Group/AutoregressiveEnsemble_SpatioTemporal_Evolution).

autoregressive prediction↗
DOE OSTI2015

YARNsim: Simulating Hadoop YARN

Despite the popularity of the Apache Hadoop system, its success has been limited by issues such as single points of failure, centralized job/task management, and lack of support for programming models other than MapReduce. The next generation of Hadoop, Apache Hadoop YARN, is designed to address these issues. In this paper, we propose YARNsim, a simulation system for Hadoop YARN. YARNsim is based on parallel discrete event simulation and provides protocol-level accuracy in simulating key components of YARN. YARNsim provides a virtual platform on which system architects can evaluate the design and implementation of Hadoop YARN systems. Also, application developers can tune job performance and understand the tradeoffs between different configurations, and Hadoop YARN system vendors can evaluate system efficiency under limited budgets. To demonstrate the validity of YARNsim, we use it to model two real systems and compare the experimental results from YARNsim and the real systems. The experiments include standard Hadoop benchmarks, synthetic workloads, and a bioinformatics application. The results show that the error rate is within 10% for the majority of test cases. The experiments prove that YARNsim can provide what-if analysis for system designers in a timely manner and at minimal cost compared with testing and evaluating on a real system.

Hadoop↗
DOE OSTI2017

Spacetime completeness of non-singular black holes in conformal gravity

We explicitly prove that the Weyl conformal symmetry solves the black hole singularity problem, otherwise unavoidable in a generally covariant local or non-local gravitational theory. Moreover, we yield explicit examples of local and non-local theories enjoying Weyl and diffeomorphism symmetry (in short co-covariant theories). Following the seminal paper by Narlikar and Kembhavi, we provide an explicit construction of singularity-free spherically symmetric and axi-symmetric exact solutions for black hole spacetimes conformally equivalent to the Schwarzschild or the Kerr spacetime. We first check the absence of divergences in the Kretschmann invariant for the rescaled metrics. Afterwords, we show that the new types of black holes are geodesically complete and linked by a Newman-Janis transformation just as in standard general relativity (based on Einstein-Hilbert action). Furthermore, we argue that no massive or massless particles can reach the former Schwarzschild singularity or touch the former Kerr ring singularity in a finite amount of their proper time or of their affine parameter. Finally, we discuss the Raychaudhuri equation in a co-covariant theory and we show that the expansion parameter for congruences of both types of geodesics (for massless and massive particles) never reaches minus infinity. Actually, the null geodesics become parallel at the r =0 point in the Schwarzschild spacetime (the origin) and the focusing of geodesics is avoided. The arguments of regularity of curvature invariants, geodesic completeness, and finiteness of geodesics' expansion parameter ensure us that we are dealing with singularity-free and geodesically-complete black hole spacetimes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

DFT-FE – A massively parallel adaptive finite-element code for large-scale density functional theory calculations

We present an accurate, efficient and massively parallel finite-element code, DFT-FE, for large-scale ab-initio calculations (reaching ~100,000 electrons) using Kohn-Sham density functional theory (DFT). DFT-FE is based on a local real-space variational formulation of the Kohn-Sham DFT energy functional that is discretized using a higher-order adaptive spectral finite-element (FE) basis, and treats pseudopotential and all-electron calculations in the same framework, while accommodating non-periodic, semi-periodic and periodic boundary conditions. We discuss the main aspects of the code, which include, the various strategies of adaptive FE basis generation, and the different approaches employed in the numerical implementation of the solution of the discrete Kohn-Sham problem that are focused on significantly reducing the floating point operations, communication costs and latency. We demonstrate the accuracy of DFT-FE by comparing the energies, ionic forces and periodic cell stresses on a wide range of problems with popularly used DFT codes. Further, we demonstrate that DFT-FE significantly outperforms widely used plane-wave codes---both in CPU-times and wall-times, and on both non-periodic and periodic systems---at systems sizes beyond a few thousand electrons, with over 5-10 fold speedups in systems with more than 10,000 electrons. In conclusion, the benchmark studies also highlight the excellent parallel scalability of DFT-FE, with strong scaling demonstrated on up to 192,000 MPI tasks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Helicon waves in uniform plasmas. II. High m numbers

Helicons are whistler modes with azimuthal wave numbers. They have been studied in solids and plasmas where boundaries play a role. The present work shows that very similar modes exist in unbounded gaseous plasmas. Instead of boundaries, the antenna properties determine the topology of the wave packets. The simplest antenna is a magnetic loop which excites m = 0 or m = 1 helicons depending on whether the dipole moment is aligned parallel or perpendicular to the ambient background magnetic field B{sub 0}. While these low order helicons have been described by J. M. Urrutia and R. L. Stenzel [“Helicon modes in uniform plasmas. I. Low m modes,” Phys. Plasmas 22, 092111 (2015)], the present work focuses on high order modes up to m = 8. These are excited by antenna arrays forming magnetic multipoles. Their wave magnetic field has been measured in space and time in a large and uniform laboratory plasma free of boundary effects. The observed wave topology exhibits m pairs of unique field line spirals which may have inspired the name “helicon” to this mode. All field lines converge into these nested spirals which propagate like corkscrews along B{sub 0}. The field lines near the axis of helicons are perpendicular to B{sub 0} and circularly polarized as in parallel whistlers. Helical antennas couple to these transverse fields but not to the spiral fields of helicons. Using a circular antenna array of phased m = 0 loops, right or left rotating or non-rotating multipole antenna fields are generated. They excite m < 0 and m > 0 modes, showing that the plasma supports both modes equally well. The poor excitation of m < 0 modes is a characteristic of loops with dipole moment across B{sub 0}. The radiation efficiency of multipole antennas has been found to decrease with m.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Distributed Real-time Plume Monitoring for Deep Sea Mineral Extraction​

In the emerging industry of deep-sea mining for minerals and deposits (e.g. polymetallic nodules for nickel, cobalt, copper, and manganese), more data is required to understand the effects of sediment plume generation and predict the distribution of disturbed sediment. There are two main sources of plume generation, the first being at the active mining site where the “collector” directly removes the top layer of the sea floor. The other is the “midwater plume” consisting of unwanted sediment that was collected during extraction that is pumped back into the aphotic zone. The vast majority of plume generation is caused by the collector, causing detrimental and long-lasting impacts on seafloor ecosystems due to the lack of wave activity or strong currents at the sea floor. Therefore, it is crucial to invest in the infrastructure to support the study and constant monitoring over a large area of the sea floor where plume generation is present. Due to the limited number of usable channels and power requirements, current subsea wireless communications technologies are not well suited to instrumenting the large areas of the sea floor needed to monitor plume migration. The scope of this effort is to transition experimental demonstrations of high-bandwidth, full-duplex scalable underwater laser communications to the seafloor in an open ocean environment. Specifically tackling challenges associated with the dynamic nature of the subsea world, including but not limited to, deployment logistics, sustainability, and range. The goal is to enable the internet of underwater things for deep sea industries by broadening the capabilities of subsea communications. By using high-precision laser transmitters, many of the challenges current subsea optical systems face can be circumvented, such as power consumption, interference, and bandwidth limitations. This approach lends itself to wireless interlinking multi-node networks, in series or parallel, facilitating the implementation of a wide array of sensor types. This interlinking allows all the data gathered from the network to be processed through a single hardline uplink to the surface, lowering the complexity required for near real-time data processing. Additionally, the laser control systems produce metadata that can be used to help characterize the water column between the nodes. Combining data from various sensors such as turbidity, temperature, current velocity with metadata such as beam attenuation and deflection can produce a high-resolution model of sea floor conditions around an active mining zone. The resulting near real-time model can be used to optimize location and flow rate of the mining operation to minimize and quantify the environmental impact.

Mons, Ishan↗
DOE OSTI2022

Parallel transport sweeps on two-dimensional cartesian and hexagonal grids

This paper aims to provide a proof of concept for parallel transport sweeps on two-dimensional hexagonal grids for the discrete ordinates transport equation. While the method is an extension of the popular and well-established Koch-Baker-Alcoulffe (KBA) algorithm, there are significant differences between the cartesian and hexagonal grid and thereafter sweep. The most important is the three-way connectivity of hexagons within the grid which creates greater dependencies between the elements. The KBA method in structured orthogonal grids was first implemented in the DRAGON5 code and the method is first described here. The differences in implementation for the hexagonal grid are also described. Benchmark results are also presented, showing roughly 10 times speedup in computational times with roughly 100 processors, in both cases. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2019

Energy-Screened Many-Body Expansion: A Practical Yet Accurate Fragmentation Method for Quantum Chemistry

We introduce an implementation of the truncated many-body expansion, MBE(n), in which the n-body corrections are screened using the effective fragment potential force field, and only those that exceed a specified energy threshold are computed at a quantum-mechanical level of theory. This energy-screened MBE(n) approach is tested at the n = 3 level for a sequence of water clusters, (H2O) N=6–34 . A threshold of 0.25 kJ/mol eliminates more than 80% of the subsystem electronic structure calculations and is even more efficacious in that respect than is distance-based screening. Even so, the energy-screened MBE(3) method is faithful to a full-system quantum chemistry calculation to within 1–2 kJ/mol/monomer, even in good quality basis sets such as aug-cc-pVTZ. These errors can be reduced by means of a two-layer approach that involves a Hartree–Fock calculation for the entire cluster. Such a correction proves to be necessary in order to obtain accurate relative energies for conformational isomers of (H2O)20, but the cost of a full-system Hartree–Fock calculation remains smaller than the cost of three-body subsystem calculations at correlated levels of theory. At the level of second-order Møller–Plesset perturbation theory (MP2), a screened MBE(3) calculation plus a full-system Hartree–Fock calculation is less expensive than a full-system MP2 calculation starting at N = 12 water molecules. This is true even if all MBE(3) subsystem calculations are performed on a single 40-core compute node, i.e., without significant parallelization. Energy-screened MBE(n) thus provides a fragment-based method that is accurate, stable in large basis sets, and low in cost, even when the latter is measured in aggregate computer time.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

Wave propagation at oblique shocks: How did Tycho get its stripes?

We describe a new model for the “stripes” of synchrotron radiation seen in the remnant of Tycho’s supernova. In our picture, cosmic rays streaming ahead of the forward shock generate parallel propagating (with respect to the local magnetic field direction) circularly polarized Alfvén waves that are almost free of dissipation, and, due to being circularly polarized, exhibit no spatial variation of magnetic field strength. Following the interaction with the supernova remnant (SNR) shock with nonzero obliquity, these parallel propagating waves become obliquely propagating, due the the wave refraction (which is different, in principle, for the different plane wave components), and dissipation sets in. The magnetosonic polarization decays faster, due to transit time damping, leaving only the Alfvén mode. This surviving mode now exhibits a spatial variation of the magnetic field, leading to local maxima and minima in the synchrotron emission, i.e., the stripes. We attribute the initial wave generation to the Bell instability, which in contrast to the resonant generation of upstream Alfvén waves, gives rise to a preferred wavelength, and hence the single wave period at which the stripes are seen. Based on estimates for damping rates due to turbulent cascade and transit time damping, we estimate the dependence of the visibility of the stripes on the shock obliquity and determine a maximum cosmic ray energy in Tycho’s SNR in the range 6×10{sup 14}−1×10{sup 15} eV.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Measuring the homogeneity of the universe using polarization drift

We propose a method to probe the homogeneity of a general universe, without assuming symmetry. We show that isotropy can be tested at remote locations on the past lightcone by comparing the line-of-sight and transverse expansion rates, using the time dependence of the polarization of Cosmic Microwave Background photons that have been inverse-Compton scattered by the hot gas in massive clusters of galaxies. This probes a combination of remote transverse and parallel components of the expansion rate of the metric, and we may use radial baryon acoustic oscillations or cosmic clocks to measure the parallel expansion rate. Thus we can test remote isotropy, which is a key requirement of a homogeneous universe. We provide explicit formulas that connect observables and properties of the metric.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Analyzing the Impact of System Reliability Events on Applications in the Titan Supercomputer

Extreme-scale computing systems employ Reliability, Availability and Serviceability (RAS) mechanisms and infrastructure to log events from multiple system components. In this paper, we analyze RAS logs in conjunction with the application placement and scheduling database, in order to understand the impact of common RAS events on application performance. This study conducted on the records of about 2 million applications executed on Titan supercomputer provides important insights for system users, operators and computer science researchers. Specifically, we investigate the impact of RAS events on application performance and its variability by comparing cases where events are recorded with corresponding cases where no events are recorded. Such a statistical investigation is possible since we observed that system users tend to execute their applications multiple times. Our analysis reveals that most RAS events do impact application performance, although not always. We also find that different system components affect application performance differently. In particular, our investigation includes the following components: parallel file system processor, memory, graphics processing units, system and user software issues. Our work establishes the importance of providing feedback to system users for increasing operational efficiency of extreme-scale systems.

Ashraf, Rizwan↗
DOE OSTI2016

SeekAView: An Intelligent Dimensionality Reduction Strategy for Navigating High-Dimensional Data Spaces

Dealing with the curse of dimensionality is a key challenge in high-dimensional data visualization. We present SeekAView to address three main gaps in the existing research literature. First, automated methods like dimensionality reduction or clustering suffer from a lack of transparency in letting analysts interact with their outputs in real-time to suit their exploration strategies. The results often suffer from a lack of interpretability, especially for domain experts not trained in statistics and machine learning. Second, exploratory visualization techniques like scatter plots or parallel coordinates suffer from a lack of visual scalability: it is difficult to present a coherent overview of interesting combinations of dimensions. Third, the existing techniques do not provide a flexible workflow that allows for multiple perspectives into the analysis process by automatically detecting and suggesting potentially interesting subspaces. In SeekAView we address these issues using suggestion based visual exploration of interesting patterns for building and refining multidimensional subspaces. Compared to the state-of-the-art in subspace search and visualization methods, we achieve higher transparency in showing not only the results of the algorithms, but also interesting dimensions calibrated against different metrics. We integrate a visually scalable design space with an iterative workflow guiding the analysts by choosing the starting points and letting them slice and dice through the data to find interesting subspaces and detect correlations, clusters, and outliers. We present two usage scenarios for demonstrating how SeekAView can be applied in real-world data analysis scenarios.

Krause, Josua↗
DOE OSTI2019

Scalable Reactive Molecular Dynamics Simulations for Computational Synthesis

Reactive molecular dynamics (MD) simulation is a powerful research tool for describing chemical reactions. We eliminate the speed-limiting charge iteration in MD with a novel extended-Lagrangian scheme. The extended-Lagrangian reactive MD (XRMD) code drastically improves energy conservation while substantially reducing time-to-solution. Furthermore, we introduce a new polarizable charge equilibration (PQEq) model to accurately predict atomic charges and polarization. The XRMD code based on hybrid message passing+multithreading achieves a weak-scaling parallel efficiency of 0.977 on 786 432 IBM Blue Gene/Q cores for a 67.6 billion-atom system. The performance is portable to the second-generation Intel Xeon Phi, Knights Landing. Blue Gene/Q simulations for the computational synthesis of materials via novel exfoliation mechanisms for synthesizing atomically thin transition metal dichalcogenide layers will dominate nanomaterials science in this century.

Simulation, Modeling, Performance, and Visualizati↗
DOE OSTI2016

TH-CD-BRA-07: MRI-Linac Dosimetry: Parameters That Change in a Magnetic Field

Purpose: In MRI-linac integrated systems, the presence of the magnetic (B-)field has a large impact of the dose-distribution and the dose-responses of detectors; yet established protocols and previous experience may lead to assumptions about the commissioning process that are no longer valid. This study quantifies parameters that change when performing dosimetry with an MRI-linac including beam quality specifiers and the effective-point-of-measurement (EPOM) of ionization chambers. Methods: We used the Geant4 Monte Carlo code for this work with physics parameters that pass the Fano cavity test to within 0.1% for the simulated conditions with and without a 1.5 T B-field. A point source model with the energy distribution of an MRI-linac beam was used with and without the B-field to calculate the beam quality specifiers %dd(10)× and TPR{sup 20}{sub 10}, the variation of chamber response with orientation and the how the B-field affects the EPOM of ionization chambers by comparing depth-dose curves calculated in water to those generated by a model PTW30013 Farmer chamber. Results: The %dd(10)× changes by over 2% in the presence of the B-field while the TPR{sup 20}{sub 10} is unaffected. Ionization chamber dose-response is known to depend on the orientation w.r.t. the B-field, but two alternative perpendicular orientations (anti-parallel to each other) also differ in dose-response by over 1%. The B-field shifts the EPOM downstream (closer to the chamber center) but it is also shifted laterally by 0.27 times the chamber’s cavity radius. Conclusion: The EPOM is affected by the B-field and it even shifts laterally. The relationship between %dd(10)× and the Spencer-Attix stopping powers is also changed. Care must be taken when using chambers perpendicular to the field as the dose-response changes depending on which perpendicular orientation is used. All of these effects must be considered when performing dosimetry in B-fields and should be accounted for in future dosimetry protocols. This project was partially funded by Elekta Ltd.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

TH-CD-207A-02: Implementation of Live EPID-Based Inspiration Level Assessment (LEILA) for Deepinspiration Breath-Hold (DIBH) Monitoring Using MV Fluoroscopy

Purpose: As prior work has shown that current DIBH monitoring approaches using surrogate measures (marker block on chest) do not always correspond with the clinical quantity of interest (lung depth, LD), a software tool and workflow are introduced to use MV fluoroscopy during treatment for real-time / Live EPID-based Inspiration Level Assessment (LEILA). Methods: A prototype software tool calculates and displays the LD during the treatment of left sided breast cancer. Calculations are based on MV cine images which are acquired with the treatment beam thereby not incurring any additional imaging dose. Image capture and processing are implemented using a dedicated frame grabber computer. The calculation engine automatically detects image orientation and includes provisions for large treatment fields that exceed the size of the EPID panel. LD is measured along a line profile in the middle of the field. LEILA’s interface displays the current MV image, a reference image (DRR), the current LD, as well as a trace of LD over treatment time. The display includes patient specific LD tolerances. Tolerances are specified for each field and loaded before the treatment. A visual warning is generated when the tolerance is exceeded. LEILA is initially run in parallel with current DIBH techniques. When later run by itself DIBH setup will be done using skin marks and room laser. Results: Offline tests of LEILA confirmed accurate automatic LD measurement for a variety of patient geometries. Deployment of the EPID during all left sided breast treatments was well tolerated by patients and staff during a multi-month pilot. The frame grabber provides 11 frames-per-second; the MATLAB based LEILA prototype software can analyze five frames-per-second standalone on standard desktop hardware. Conclusion: LEILA provides an automated approach to quantitatively monitor LD on MV images during DIBH treatment. Future improvements include a database and further speed optimization.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Design of ultrasonic attenuation sensor with focused transmitter for density measurements of a slurry in a large steel pipeline

To design an ultrasonic sensor to measure the attenuation and density of a slurry carried by a large steel pipeline (diameter up to 70 cm) is the goal of this research. The pitch-catch attenuation sensor, placed in a small section of the pipeline, contains a send unit with a focused transducer that focuses the ultrasound to a small region of the receive unit on the opposite wall. The focused transducer consists of a section of a sphere (base ~12 cm) on the outer side of the send unit and a 500 kHz piezoelectric shell of PZT5A epoxied to it. The Rayleigh surface integral is used to calculate the pressure in steel and in water (slurry). An incremental method to plot the paths of ultrasonic rays shows that the rays focus where expected. Further, there is a region where the parallel rays are perpendicular to the wall of the receive unit. Designs for pipeline diameters of 25 cm and 71 cm show that the pressure in water at the receive transducer is about 17 times that for a pitch-catch system using 5 cm diameter disk transducers. The enhanced signal increases the sensitivity of the measurements and improves the signal-to-noise ratio.

Greenwood, Margaret Stautberg↗
DOE OSTI2016

Dual Active Bridge based DC Transformer LabVIEW FPGA Control Code [SWR-16-25]

In the area of power electronics control, Field Programmable Gate Arrays (FPGAs) have the capability to outperform their Digital Signal Processor (DSP) counterparts due to the FPGA’s ability to implement true parallel processing and therefore facilitate higher switching frequencies, higher control bandwidth, and/or enhanced functionality. National Instruments (NI) has developed two platforms, Compact RIO (cRIO) and Single Board RIO (sbRIO), which combine a real-time processor with an FPGA. The FPGA can be programmed with a subset of the well-known LabVIEW graphical programming language. The candidate software implements complete control algorithms in LabVIEW FPGA for a DC Transformer (DCX) based on a dual active bridge (DAB). A DCX is an isolated bi-directional DC-DC converter designed to operate at unity conversion ratio, M, defined by where Vin is the primary-side DC bus voltage, Vout is the secondary-side DC bus voltage, and n is the turns ratio of the embedded high frequency transformer (HFX). The DCX based on a DAB incorporates two H-bridges, a resonant inductor, and an HFX to provide this functionality. The candidate software employs phase-shift modulation of the two H-bridges and a feedback loop to regulate the conversion ratio at unity. The software also includes alarm-handling capabilities as well as debugging and tuning tools. The software fits on the Xilinx Virtex V LX110 FPGA embedded in the NI cRIO-9118 FPGA chassis, and with a 40 MHz base clock, supports a modulation update rate of 40 MHz, and user-settable switching frequencies and synchronized control loop update rates of tens of kHz.

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