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At least 1,459 records · Page 81

Fundamental limitations of the local approximation for electron distribution function and fluid model in bounded plasmas

It is shown that the local approximation for computing the electron distribution function depends both on the ratio between the energy relaxation length and a characteristic plasma length and on the ratio between heating and ambipolar electric fields. In particular, the local approximation is not valid at the discharge periphery even at high pressure due to the fact that the ambipolar electric field practically always is larger than the heating electric field.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

ER-2 lidar measurements of stratocumulus cloud top structure on July 14, 1987

On July 14, 1987 NASA's ER-2 high altitude aircraft flew a mission to measure the structure of stratocumulus clouds off the coast of California. A flight pattern was executed so that the two-dimensional variability of the clouds could be detected. The technique of analysis of the lidar data to measure cloud tops follows. First each signal is searched for its maximum in return strength. This maximum is caused by scattering of the laser light off cloud particles or from the ocean surface. Next the variance of the signal return above the level of maximum backscatter is determined. Cloud top is assigned to a level (above the level of maximum backscatter) where the backscatter exceeds the average variance. This two-step process is necessary because the level of maximum backscatter does not correspond to the cloud top. Ocean surface returns are easily separated from cloud returns in this process, described in detail by Boers, Spinhirne, and Hart (1988). Analysis of the data so far has shown that there were very few breaks in the clouds. Furthermore the layer top was very flat with local oscillations not exceeding 30 m. Such small cloud top variations are still well within the range of detectability, because the precision of this technique of cloud top detection has previously been established to be 13 to 15 m. Data are presently being analyzed to compute cloud top distributions and fractional cloudiness. The aim of this research is to relate the fractional cloudiness to the mean thermodynamic structure of the boundary layer. Researchers plan to compute spectral scales of the cloud top variability in two dimensions to determine the orientation of the clouds with respect to the mean wind. Furthermore the lidar derived cloud top distribution will be used in the computation of the thermodynamic and radiation budget of the boundary layer.

Boers, Reinout↗

Distributing User Code with the CernVM FileSystem

The CernVM FileSystem (CVMFS) is widely used in High Throughput Computing to efficiently distributed experiment code. However, the standard CVMFS publishing tools are designed for a small group of people from each experiment to maintain common software, and the tools are not a good fit for publishing software from numerous users in each experiment. As a result, most user code, such as code to do specific physics analyses, is still sent with every job to the place the job is run. That process is relatively inefficient, especially when the user code is large. To overcome these limitations, we have built a CVMFS user code publication system. This publication system enables users to still submit their code with their jobs but the code is distributed and accessed through the standard CVMFS infrastructure. The user code is automatically deleted from CVMFS after a period of no use. Most of the software for the system is available as a single self-contained open source rpm called cvmfs-user-pub and is available for other deployments.

97 MATHEMATICS AND COMPUTING↗

Influence of a Heterocyclic Nitrogen-Donor Group on the Coordination of Trivalent Actinides and Lanthanides by Aminopolycarboxylate Complexants

Here, the novel metal chelator – N -2-pyridylmethyl-diethylenetriamine- N,N',N'',N'' -tetraacetic acid, DTTA-PyM – was designed to replace a single O-donor acetate group of the well-known aminopolycarboxylate complexant diethylenetriamine- N,N,N',N'',N'' -pentaacetic acid (DTPA) with an N-donor 2-pyridylmethyl. Potentiometric, spectroscopic, computational, and radioisotope distribution methods show distinct differences for the 4f and 5f coordination environments and enhanced actinide binding due to the nitrogen bearing heterocyclic moiety. The Am 3+ , Cm 3+ , Ln 3+ complexation studies for DTTA-PyM reveal an enhanced preference, relative to DTPA, for trivalent actinide binding. Fluorescence studies indicate no changes to the octadentate coordination of trivalent curium, while evidence of heptadentate complexation of trivalent europium is found in mixtures containing EuHL (aq) complexes at the same aqueous acidity. The denticity change observed for Eu 3+ suggests that complex protonation occurs on the pyridyl nitrogen. Formation of the CmHL(aq) complex is likely due to the protonation of an available carboxylate group since the carbonyl oxygen can maintain octadentate coordination through a rotation. The observed suppressed protonation of the pyridyl nitrogen in the Cm complexes may be attributed to stronger trivalent actinide binding by DTTA-PyM. Density functional theory calculations indicate that added stabilization of the actinide complexes with DTTA-PyM may originate from p back-bonding interactions between singly occupied 5 f orbitals of Am 3+ and the pyridyl nitrogen. The differences between the stability of trivalent actinide chelates (Am 3+ , Cm 3+ ) and trivalent lanthanide chelates (La 3+ -Lu 3+ ) are observed in liquid-liquid extraction systems, yielding unprecedented 4 f /5 f differentiation when using DTTA-PyM as an aqueous holdback reagent. In addition, the enhanced N -donor softness of the new DTTA-PyM chelator was perturbed by adding a fluorine onto the pyridine group. The comparative characterization of N -(3-fluoro-2-pyridylmethyl)-diethylenetriamine- N,N',N'',N'' -tetraacetic acid, DTTA-3-F-PyM, showed subdued 4 f /5 f differentiation due to the presence of this electron-withdrawing group.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Partitioning of unstructured problems for parallel processing

Many large-scale computational problems are based on unstructured computational domains. Primary examples are unstructured grid calculations based on finite volume methods in computational fluid dynamics, or structural analysis problems based on finite element approximations. The question of how to distribute such unstructured computational domains over a large number of processors in a MIMD machine with distributed memory is addressed. A graph theoretical framework for these problems is established. Based on this framework three decomposition algorithms are introduced. In particular a new decomposition algorithm is discussed, which is based on the computation of an eigenvector of the Laplacian matrix associated with the graph. Numerical comparisons on large-scale two- and three-dimensional problems demonstrate the superiority of the new spectral bisection algorithm.

Simon, H. D.↗

Cyber-Infrastructure for Data-Intensive Geospatial Computing

With the recent advent of heterogeneous High-performance Computing (HPC) to handle EO “Big Data” workloads, there is a need for a unified Cyber-infrastructure (CI) platform that can bridge the best of many HPC worlds. In this chapter, we discuss such a CI platform being developed at Geographic Information Science and Technology (GIST) group using novel and innovative techniques, and emerging technologies that are scalable to large-scale supercomputers. The CI platform utilizes a wide variety of computing such as GPGPU, distributed, real-time and cluster computing, which are being brought together architecturally to enable data-driven analysis, scientific understanding of earth system models, and research collaboration. This development addresses the need for close integration of EO and other geospatial information in the face of growing volumes of the data, and facilitates spatio-temporal analysis of disparate and dynamic data streams. Horizontal scalability and linear throughput are supported in the heart of the platform itself. It is being used to support very broad application areas, ranging from high-resolution settlement mapping, national bioenergy infrastructure to urban information and mobility systems. The platform provides spatio-temporal decision support capabilities in planning, policy and operational missions for US federal agencies. Also, the platform is designed to be functionally and technologically sustainable for continued support of the US energy and environment mission for the coming decades.

Karthik, Rajasekar↗

Paradeisos: A perfect hashing algorithm for many-body eigenvalue problems

Here, we describe an essentially perfect hashing algorithm for calculating the position of an element in an ordered list, appropriate for the construction and manipulation of many-body Hamiltonian, sparse matrices. Each element of the list corresponds to an integer value whose binary representation reflects the occupation of single-particle basis states for each element in the many-body Hilbert space. The algorithm replaces conventional methods, such as binary search, for locating the elements of the ordered list, eliminating the need to store the integer representation for each element, without increasing the computational complexity. Combined with the “checkerboard” decomposition of the Hamiltonian matrix for distribution over parallel computing environments, this leads to a substantial savings in aggregate memory. While the algorithm can be applied broadly to many-body, correlated problems, we demonstrate its utility in reducing total memory consumption for a series of fermionic single-band Hubbard model calculations on small clusters with progressively larger Hilbert space dimension.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Computational predictions of porosities, pore size distributions, and conductivities of aerosol deposited particulate films

The structure and resulting physical properties of aerosol deposited particulate films are governed by the size distribution and morphology of the depositing particles as well as the physics governing particle deposition. While particulate film deposition processes are qualitatively understood, the link between particle characteristics and deposition physics to film properties has not been probed systematically. Here we apply a combination of Langevin dynamics deposition simulations, Monte Carlo pore size distribution calculations, and predictions of thermal conductivities to better establish such process parameter-film property relationships. Furthermore, we account for partial coalescence, polydispersity, and aggregate deposition. We establish that the deposition of polydisperse and aggregated particles leads to broadening of the pore size distribution function and an increase in the mode pore size. Via a non-continuum gas conductivity model, we show that aerosol deposited films can achieve porosities and thermal conductivities similar to conventional aerogels.

36 MATERIALS SCIENCE↗

A Testbed for Deploying Distributed State Estimation in Power Grid

Abstract—With the increasing demand, scale and data information of power systems, fast distributed applications are becoming more important in power system operation and control. This paper proposes a testbed for evaluating power system distributed applications, considering data exchange among distributed areas. A high-performance computing (HPC) version of distributed state estimation is implemented and used as a distributed application example. The IEEE 118-bus system is used to deploy the parallel distributed state estimation, and the MeDICi middleware is used for data communication. The performance of the testbed demonstrates its capability to evaluate parallel distributed state estimation by leveraging the HPC paradigm. This testbed can also be applied to evaluate other distributed applications.

distributed state estimation↗

Mapping the Concentration Distribution of Contaminant Plumes to the Computational Grid of the Plateau to River Model (Ver. 8.3)

This environmental calculation file (ECF) outlines the process conducted for defining the initial condition groundwater plumes for select contaminants of interest (COIs) to the Plateau River model version 8.3 (P2Rv8.3) domain (CP-57037, Model Package Report: Plateau to River Groundwater Model Version 8.3). Various data sources were combined into a single set of files defining plume conditions at time 1/1/2018. The resulting files are intended for use as inputs for transport modeling to support forecasts of the Central Plateau contaminant plume fate and transport.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Computational methods for the control of distributed parameter systems

Finite dimensional approximation schemes that work well for distributed parameter systems are often not suitable for the analysis and implementation of feedback control systems. The relationship between approximation schemes for distributed parameter systems and their application to optimal control problems is discussed. A numerical example is given.

Burns, J. A.↗