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All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

ANALYTICAL SOLUTIONS OF SINGULAR ISOTHERMAL QUADRUPOLE LENS

Using an analytical method, we study the singular isothermal quadrupole (SIQ) lens system, which is the simplest lens model that can produce four images. In this case, the radial mass distribution is in accord with the profile of the singular isothermal sphere lens, and the tangential distribution is given by adding a quadrupole on the monopole component. The basic properties of the SIQ lens have been studied in this Letter, including the deflection potential, deflection angle, magnification, critical curve, caustic, pseudo-caustic, and transition locus. Analytical solutions of the image positions and magnifications for the source on axes are derived. We find that naked cusps will appear when the relative intensity k of quadrupole to monopole is larger than 0.6. According to the magnification invariant theory of the SIQ lens, the sum of the signed magnifications of the four images should be equal to unity, as found by Dalal. However, if a source lies in the naked cusp, the summed magnification of the left three images is smaller than the invariant 1. With this simple lens system, we study the situations where a point source infinitely approaches a cusp or a fold. The sum of the magnifications of the cusp image triplet is usually not equal to 0, and it is usually positive for major cusps while negative for minor cusps. Similarly, the sum of magnifications of the fold image pair is usually not equal to 0 either. Nevertheless, the cusp and fold relations are still equal to 0 in that the sum values are divided by infinite absolute magnifications by definition.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Comparing galaxy formation in the L-GALAXIES semi-analytical model and the IllustrisTNG simulations

ABSTRACT We perform a comparison, object by object and statistically, between the Munich semi-analytical model, L-GALAXIES, and the IllustrisTNG hydrodynamical simulations. By running L-GALAXIES on the IllustrisTNG dark matter-only merger trees, we identify the same galaxies in the two models. This allows us to compare the stellar mass, star formation rate, and gas content of galaxies, as well as the baryonic content of subhaloes and haloes in the two models. We find that both the stellar mass functions and the stellar masses of individual galaxies agree to better than ${\sim} 0.2\,$dex. On the other hand, specific star formation rates and gas contents can differ more substantially. At z = 0, the transition between low-mass star-forming galaxies and high-mass quenched galaxies occurs at a stellar mass scale ${\sim} 0.5\,$dex lower in IllustrisTNG than that in L-GALAXIES. IllustrisTNG also produces substantially more quenched galaxies at higher redshifts. Both models predict a halo baryon fraction close to the cosmic value for clusters, but IllustrisTNG predicts lower baryon fractions in group environments. These differences are primarily due to differences in modelling feedback from stars and supermassive black holes. The gas content and star formation rates of galaxies in and around clusters and groups differ substantially, with IllustrisTNG satellites less star forming and less gas rich. We show that environmental processes such as ram-pressure stripping are stronger and operate to larger distances and for a broader host mass range in IllustrisTNG. We suggest that the treatment of galaxy evolution in the semi-analytic model needs to be improved by prescriptions that capture local environmental effects more accurately.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Combining Tensor Decompositions and Graph Analytics to Provide Cyber Situational Awareness at HPC Scale

This paper describes MADHAT (Multidimensional Anomaly Detection fusing HPC, Analytics, and Tensors), an integrated workflow that demonstrates the applicability of HPC resources to the problem of maintaining cyber situational awareness. MADHAT combines two high-performance packages: ENSIGN for large-scale sparse tensor decompositions and HAGGLE for graph analytics. Tensor decompositions isolate coherent patterns of network behavior in ways that common clustering methods based on distance metrics cannot. Parallelized graph analysis then uses directed queries on a representation that combines the elements of identified patterns with other available information (such as additional log fields, domain knowledge, network topology, whitelists and blacklists, prior feedback, and published alerts) to confirm or reject a threat hypothesis, collect context, and raise alerts. MADHAT was developed using the collaborative HPC Architecture for Cyber Situational Awareness (HACSAW) research environment and evaluated on structured network sensor logs collected from Defense Research and Engineering Network (DREN) sites using HPC resources at the U.S. Army Engineer Research and Development Center DoD Supercomputing Resource Center (ERDC DSRC). To date, MADHAT has analyzed logs with over 650 million entries.

Cyber security, Tensor decomposition, graph analyt↗
DOE OSTI2016

Immersive Visual Analytics for Transformative Neutron Scattering Science

The ORNL Spallation Neutron Source (SNS) provides the most intense pulsed neutron beams in the world for scientific research and development across a broad range of disciplines. SNS experiments produce large volumes of complex data that are analyzed by scientists with varying degrees of experience using 3D visualization and analysis systems. However, it is notoriously difficult to achieve proficiency with 3D visualizations. Because 3D representations are key to understanding the neutron scattering data, scientists are unable to analyze their data in a timely fashion resulting in inefficient use of the limited and expensive SNS beam time. We believe a more intuitive interface for exploring neutron scattering data can be created by combining immersive virtual reality technology with high performance data analytics and human interaction. In this paper, we present our initial investigations of immersive visualization concepts as well as our vision for an immersive visual analytics framework that could lower the barriers to 3D exploratory data analysis of neutron scattering data at the SNS.

data visualization↗
DOE OSTI2017

High-Performance Data Analytics Beyond the Relational and Graph Data Models with GEMS

Graphs represent an increasingly popular data model for data-analytics, since they can naturally represent relationships and interactions between entities. Relational databases and their pure table-based data model are not well suitable to store and process sparse data. Consequently, graph databases have gained interest in the last few years and the Resource Description Framework (RDF) became the standard data model for graph data. Nevertheless, while RDF is well suited to analyze the relationships between the entities, it is not efficient in representing their attributes and properties. In this work we propose the adoption of a new hybrid data model, based on attributed graphs, that aims at overcoming the limitations of the pure relational and graph data models. We present how we have re-designed the GEMS data-analytics framework to fully take advantage of the proposed hybrid data model. To improve analysts productivity, in addition to a C++ API for applications development, we adopt GraQL as input query language. We validate our approach implementing a set of queries on net-flow data and we compare our framework performance against Neo4j. Experimental results show significant performance improvement over Neo4j, up to several orders of magnitude when increasing the size of the input data.

Data Analytics↗
DOE OSTI2014

Visual Analytics for Power Grid Contingency Analysis

Contingency analysis is the process of employing different measures to model scenarios, analyze them, and then derive the best response to remove the threats. This application paper focuses on a class of contingency analysis problems found in the power grid management system. A power grid is a geographically distributed interconnected transmission network that transmits and delivers electricity from generators to end users. The power grid contingency analysis problem is increasingly important because of both the growing size of the underlying raw data that need to be analyzed and the urgency to deliver working solutions in an aggressive timeframe. Failure to do so may bring significant financial, economic, and security impacts to all parties involved and the society at large. The paper presents a scalable visual analytics pipeline that transforms about 100 million contingency scenarios to a manageable size and form for grid operators to examine different scenarios and come up with preventive or mitigation strategies to address the problems in a predictive and timely manner. Great attention is given to the computational scalability, information scalability, visual scalability, and display scalability issues surrounding the data analytics pipeline. Most of the large-scale computation requirements of our work are conducted on a Cray XMT multi-threaded parallel computer. The paper demonstrates a number of examples using western North American power grid models and data.

contingency analysis↗
DOE OSTI2024

A Semi-Analytical Approach for State-Space Electromagnetic Transient Simulation

Here, this paper proposes a semi-analytical approach for efficient and accurate electromagnetic transient (EMT) simulation of a power grid. The approach first derives a high-order semi-analytical solution (SAS) of the grid’s state-space EMT model using the differential transformation (DT), and then evaluates the solution over enlarged, variable time steps to significantly accelerate the simulations while maintaining its high accuracy on detailed fast EMT dynamics. The approach also addresses switches during large time steps by using a limit violation detection algorithm with a binary search-enhanced quadratic interpolation. Case studies are conducted on EMT models of the IEEE 39-bus system and large-scale systems to demonstrate the merits of the new simulation approach against traditional numerical methods.

electromagnetic transient↗
DOE OSTI2021

Applications of analytical electron microscopy to guide the design of boron carbide

Compositional analysis of boron carbide on nanometer length scales to examine or interpret atomic mechanisms, for example, solid-state amorphization or grain-boundary segregation, is challenging. This work reviews advancements in high-resolution microanalysis to characterize multiple generations of boron carbide. First, ζ-factor microanalysis will be introduced as a powerful (scanning) transmission electron microscopy ((S)TEM) analytical framework to accurately characterize boron carbide. Three case studies involving the application of ζ-factor microanalysis will then be presented: (1) accurate stoichiometry determination of B-doped boron carbide using ζ-factor microanalysis and electron energy loss spectroscopy, (2) normalized quantification of silicon grain-boundary segregation in Si-doped boron carbide, and (3) calibration of a scanning electron microscope X-ray energy-dispersive spectroscopy (XEDS) system to measure compositional homogeneity differences of B/Si-doped arc-melted boron carbides in the as-melted and annealed conditions. Overall, the improvement and application of advanced analytical tools have helped better understand processing–microstructure–property relationships and successfully manufacture high-performance ceramics.

36 MATERIALS SCIENCE↗
DOE OSTI2016

SU-G-206-06: Analytic Dose Function for CT Scans in Infinite Cylinders as a Function of Scan Length and Cylinder Radius

Purpose: The radiation dose absorbed at a particular radius ρ within the central plane of a long cylinder following a CT scan is a function of the length of the scan L and the cylinder radius R along with kVp and cylinder composition. An analytic function was created that that not only expresses these dependencies but is integrable in closed form over the area of the central plane. This feature facilitates explicit calculation of the planar average dose. The “approach to equilibrium” h(L) discussed in the TG111 report is seamlessly included in this function. Methods: For a cylindrically symmetric radiation field, Monte Carlo calculations were performed to compute the dose distribution to long polyethylene cylinders for scans of varying L for cylinders ranging in radius from 5 to 20 cm. The function was developed from the resultant Monte Carlo data. In addition, the function was successfully fit to data taken from measurements on the 30 cm diameter ICRU/TG200 phantom using a real-time dosimeter. Results: Symmetry and continuity dictate a local extremum at the center which is a minimum for the larger sizes. There are competing effects as the beam penetrates the cylinder from the outside: attenuation, resulting in a decrease; scatter, abruptly increasing at the circumference. This competition may result in an absolute maximum between the center and outer edge leading to a “gull wing” shape for the radial dependence. For the smallest cylinders, scatter may dominate to the extent that there is an absolute maximum at the center. Conclusion: An integrable, analytic function has been developed that provides the radial dependency of dose for the central plane of a scan of length L for cylinders of varying diameter. Equivalently, we have developed h(L,R,ρ).

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Epitaxial Carbyne: Analytical Results

The Green’s function method in the tight-binding approximation is used to obtain analytical expressions for the electronic spectra and densities of states for two carbyne structural modifications (cumulene and polyyne). Metal and semiconductor substrates are considered and charge-transfer estimates are deduced. Criteria for the occurrence of a charge-density wave in free-standing and epitaxial carbynes are proposed taking into account the intra- and interatomic Coulomb repulsion. Analytical expressions for the phonon spectrum of free-standing carbyne are presented. The data obtained are compared with the results of numerical calculations performed by other researchers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Software Defined Architectures for Data Analytics

Data analytics applications increasingly are complex workflows composed of phases with very different program behaviors (e.g., graph algorithms and machine learning, algorithms operating on sparse an dense data structures, etc). To reach the levels of efficiency required to process these workflows in real time, upcoming architectures will need to leverage even more workload specialization. If, at one end, we may find even more heterogenous processors composed by a myriad of specialized processing elements, at the other end we may see novel reconfigurable architectures, composed of sets of functional units and memories interconnected with (re)configurable on-chip networks, able to adapt dynamically to adapt the workload characteristics. Field Programmable Gate Arrays are more and more used for accelerating various workloads and, in particular, inferencing in machine learning, providing higher efficiency than other solutions. However, their fine grained nature still leads to issues for the design software and still makes dynamic reconfiguration impractical. Future, more coarse-grained architectures could offer the features to execute diverse workloads at high efficiency while providing better reconfiguration mechanisms for dynamic adaptability. Nevertheless, we argue that the challenges for reconfigurable computing remain in the software. In this position paper, we describe a possible toolchain for reconfigurable architectures targeted at data analytics.

FPGA, Dataflow, Reconfigurable Architectures, Soft↗
DOE OSTI2014

Comparison of the Amanzi Model against Analytical Solutions and the FEHM Model

This file documents Amanzi code verification of flow simulations for three selected cases: (1) an infinite strip aquifer embedded between two other aquifers, (2) a heterogeneous cylinder (or disc in 2D case) embedded in a background aquifer, and (3) uniform aquifers in bounded domains with fixed heads at the upper- and down-stream directions and no-flow at lateral boundaries. The original FORTRAN codes that solve the analytical solutions for cases (1) and (2) were obtained from Greg Ruskauf. Two modifications were made for compilation on Linux systems: (a) The keyword ‘mode’ in OPEN statements was removed because it is not standard, and (b) variables in COMMON blocks were re-arranged to eliminate a warning message (padding of additional 4 bytes). These codes were compiled using the gfortran compiler on the Linux environment. Note that these analytical solutions were derived for two-dimensional problems only, and therefore in numerical simulations, we used three-dimensional domains with unit thickness for comparison.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Scalable and Power Efficient Data Analytics for Hybrid Exascale Systems

This project developed a generic and optimized set of core data analytics functions. These functions organically consolidate a broad constellation of high performance analytical pipelines. As the architectures of emerging HPC systems become inherently heterogeneous, there is a need to design algorithms for data analysis kernels accelerated on hybrid multi-node, multi-core HPC architectures comprised of a mix of CPUs, GPUs, and SSDs. Furthermore, the power-aware trend drives the advances in our performance-energy tradeoff analysis framework which enables our data analysis kernels algorithms and software to be parameterized so that users can choose the right power-performance optimizations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Analytical Formulas for Short Bunch Wakes in a Flat Dechirper

We develop analytical models of the longitudinal and transverse wakes, on and off axis for realistic structures, and then compare them with numerical calculations, and generally find good agreement. These analytical "first order" formulas approximate the droop at the origin of the longitudinal wake and of the slope of the transverse wakes; they represent an improvement in accuracy over earlier, "zeroth order" formulas. In example calculations for the RadiaBeam/LCLS dechirper using typical parameters, we find a 16% droop in the energy chirp at the bunch tail compared to simpler calculations. With the beam moved to 200 m from one jaw in one dechiper section, one can achieve a 3 MV transverse kick differential over a 30 m length.

43 PARTICLE ACCELERATORS↗
DOE OSTI2016

New Tools to Prepare ACE Cross-section Files for MCNP Analytic Test Problems

Monte Carlo calculations using one-group cross sections, multigroup cross sections, or simple continuous energy cross sections are often used to: (1) verify production codes against known analytical solutions, (2) verify new methods and algorithms that do not involve detailed collision physics, (3) compare Monte Carlo calculation methods with deterministic methods, and (4) teach fundamentals to students. In this work we describe 2 new tools for preparing the ACE cross-section files to be used by MCNP ® for these analytic test problems, simple_ace.pl and simple_ace_mg.pl.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Analytic computation of average energy of neutrons inducing fission

The objective of this report is to describe how I analytically computed the average energy of neutrons that induce fission in the bare BeRP ball. The motivation of this report is to resolve a discrepancy between the average energy computed via the FMULT and F4/FM cards in MCNP6 by comparison to the analytic results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Methylmercury and Ethylmercury Analytical Performance in SRR Samples Measured by SRNL and Eurofins Frontier Global Sciences

Existing models and simulants of tank disposition media at the Savannah River Site (SRS) have presumed the presence of high concentrations of inorganic mercury. However, quarterly Tank 50 analyses have shown that mercury is present as organomercurial species at concentrations that may present challenges to its remediation and disposition and may challenge the Waste Acceptance Criteria (WAC) for Saltstone. Todate, methylmercury analyses for Savannah River Remediation (SRR) have been performed at an off-site laboratory by Eurofins Frontier Global Sciences (FGS) in Bothell, WA. Savannah River Remediation requested the development of methylmercury and ethylmercury determination capabilities at the Savannah River National Laboratory (SRNL) to support the Liquid Waste Operations at SRS. As part of that method development, SRR requested that SRNL Analytical Development (AD) compare their results with those obtained from their outside contract laboratory, Eurofins FGS. This document reports on this method development work as well as the comparative analyses conducted between the two laboratories. A series of optimization and validation experiments has been performed at SRNL, which has resulted in the development of on-site methylmercury and ethylmercury speciation capabilities using purge and trap (P&T) gas chromatography (GC) coupled with thermal desorption (TD) cold vapor – atomic fluorescence spectroscopy (CVAFS). Speciation has been achieved for both species, with a methylmercury method reporting limit (MRL) value of 1.13 pg and an overall uncertainty (1σ) of 5.1%. An ethylmercury MRL of 11.5 pg and an overall uncertainty (1σ) of 4.8% were obtained. These analytical parameters compare favorably with Eurofins FGS, which demonstrates uncertainties (1σ) for methylmercury and ethylmercury of 13% and 9.1%, respectively. Results obtained by SRNL from the routine analysis of Tanks 21, 40, 50, and 51 samples have provided statistically indistinguishable results compared with Eurofins FGS. Based upon the work performed by SRNL-AD and the data currently available, the following recommendations can be made: Further work should be performed to determine a “best practices” for sample holding time prior to analysis (both preserved and non-preserved samples), as well as any detrimental effects sample age may have on data quality. Analysis of ethylmercury is only recommended for tank samples that are reasonably expected to have significant quantities of ethylmercury, such as from the DWPF SMECT. Trace levels of ethylmercury in the presence of large quantities of methylmercury can be difficult or impossible to quantify. SRNL-AD development of methods for total mercury, purgeable mercury (which includes Hg(0) and dimethylmercury), inorganic mercury (Hg(I) and Hg(II)), dissolved mercury, and particulate mercury are underway and will be reported upon separately.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Identification and Quantification of Photosynthetic Pigments in Algae (Laboratory Analytical Procedure (LAP))

The Laboratory Analytical Procedure (LAP) outlined here describes a method to quantitatively extract phytopigments from microalgae biomass, as well as to identify and quantify individual pigments based on separation and detection with a High-Performance Liquid Chromatography (HPLC) system coupled to a Diode Array Detector (DAD). Pigments were extracted with greater than 95 % extraction efficiency. Chromatographic conditions allowed for isomeric resolution between pigments and identification based on UV/Vis spectra and comparison to analytical standards.

09 BIOMASS FUELS↗