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At least 523 records · Page 29

A Tower-based Prototype VHF/UHF Radar for Subsurface Sensing: System Description and Data Inversion Results

Knowledge of subsurface characteristics such as permittivity variations and layering structure could provide a breakthrough in many terrestrial and planetary science disciplines. For Earth science, knowledge of subsurface and subcanopy soil moisture layers can enable the estimation of vertical flow in the soil column linking surface hydrologic processes with that in the subsurface. For planetary science, determining the existence of subsurface water and ice is regarded as one of the most critical information needs for the study of the origins of the solar system. The subsurface in general can be described as several near-parallel layers with rough interfaces. Each homogenous rough layer can be defined by its average thickness, permittivity, and rms interface roughness assuming a known surface spectral distribution. As the number and depth of layers increase, the number of measurements needed to invert for the layer unknowns also increases, and deeper penetration capability would be required. To nondestructively calculate the characteristics of the rough layers, a multifrequency polarimetric radar backscattering approach can be used. One such system is that we have developed for data prototyping of the Microwave Observatory of Subcanopy and Subsurface (MOSS) mission concept. A tower-mounted radar makes backscattering measurements at VHF, UHF, and L-band frequencies. The radar is a pulsed CW system, which uses the same wideband antenna to transmit and receive the signals at all three frequencies. To focus the beam at various incidence angles within the beamwidth of the antenna, the tower is moved vertically and measurements made at each position. The signals are coherently summed to achieve focusing and image formation in the subsurface. This requires an estimate of wave velocity profiles. To solve the inverse scattering problem for subsurface velocity profile simultaneously with radar focusing, we use an iterative technique based on a forward numerical solution of the layered rough surface problem. The layers are each defined in terms of a small number of unknown distributions as given above. An a priori estimate of the solution is first assumed, based on which the forward problem is solved for the backscattered measurements. This is compared with the measured data and using iterative techniques an update to the solution for the unknowns is calculated. The process continues until convergence is achieved. Numerical results will be shown using actual radar data acquired with the MOSS tower radar system in Arizona in Fall 2003, and compared with in-situ measurements.

Moghaddam, Mahta↗

Structure of current sheets in magnetic holes at 1 AU

Current density profiles in several types of interplanetary magnetic holes have been calculated using high-resolution Imp 6 magnetic field data (12.5 vector measurements/s), assuming that the currents flow in planar sheets and that the magnetic field varies only in the direction normal to the sheet. The planarity was verified in four holes which were observed by two suitably spaced spacecraft. Four types of simple magnetic holes are discussed, in which B varies nearly monotonically on each side of the hole. In two of the holes, B varies in intensity but not in direction as a result of currents normal to B. In the other two holes, B changes in both magnitude and direction as a result of currents both normal and parallel to B. The observed structures are found to be qualitatively consistent with the models of Burlaga and Lemaire (1978). Examples of complex irregular magnetic holes are also presented, and they are shown to contain multiple current sheets in which currents flow parallel to one another at various angles with respect to B. There is no model of such magnetic holes at present.

Fitzenreiter, R. J.↗

Multifrontal Non-negative Matrix Factorization

Non-negative matrix factorization (Nmf) is an important tool in high-performance large scale data analytics with applications ranging from community detection, recommender system, feature detection and linear and non-linear unmixing. While traditional Nmf works well when the data set is relatively dense, however, it may not extract sufficient structure when the data is extremely sparse. Specifically, traditional Nmf fails to exploit the structured sparsity of the large and sparse data sets resulting in dense factors. We propose a new algorithm for performing Nmf on sparse data that we call multifrontal Nmf (Mf-Nmf) since it borrows several ideas from the multifrontal method for unconstrained factorization (e.g. LU and QR). We also present an efficient shared memory parallel implementation of Mf-Nmf and discuss its performance and scalability. We conduct several experiments on synthetic and realworld datasets and demonstrate the usefulness of the algorithm by comparing it against standard baselines. We obtain a speedup of 1.2x to 19.5x on 24 cores with an average speed up of 10.3x across all the real world datasets.

Sao, Piyush↗

Crystal structure of deracoxib, C 17 H 14 F 3 N 3 O 3 S

The crystal structure of deracoxib has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory techniques. Deracoxib crystallizes in space group Pbca (#61) with a = 9.68338(11), b = 9.50690(5), c = 38.2934(4) Å, V = 3525.25(3) Å 3 , and Z = 8. The molecules stack in layers parallel to the ab-plane. N–H∙∙∙O hydrogen bonds link the molecules along the b-axis, in chains with the graph set C1,1(4), as well as more-complex patterns. N–H∙∙∙N hydrogen bonds link the layers. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).

36 MATERIALS SCIENCE↗

Report on Preliminary Detailed Experimental Plan for Neutron Irradiation of A709 at ATR and HFIR

Advanced nuclear power technologies will use higher temperatures as a means to extract energy at a higher efficiency than current plants and therefore put a larger demand on the structural materials. Improved performance of structural materials could enable greater safety margins, longer plant lifetimes, and reduce maintenance costs. Alloy 709 is championed as the next generation of austenitic alloys for advanced nuclear reactors. In parallel to the ASME code case pursued, the AMMT program is initiating a neutron irradiation campaign to provide first-of-a-kind engineering data to establish operational design parameters and how the mechanical response is modified by environmental factors. This document refines the AMMT neutron irradiation campaign to a 4 year program to support the generation of creep knockdown factors for Alloy 709 and welded Alloy 709. The campaign is divided among two national laboratories, Oak Ridge National Laboratory and Idaho National Laboratory, to use the strengths of each laboratory. Through a cooperative plan, time-independent properties and time-dependent properties will be obtained across a large temperature window, nominally 300°C to 800°C, damage levels up to 10 dpa, and with and without the impacts of transmutation produced helium.

99 GENERAL AND MISCELLANEOUS↗

Report on Preliminary Detailed Experimental Plan for Neutron Irradiation of A709 at ATR and HFIR

Advanced nuclear power technologies will use higher temperatures as a means to extract energy at a higher efficiency than current plants and therefore put a larger demand on the structural materials. Improved performance of structural materials could enable greater safety margins, longer plant lifetimes, and reduce maintenance costs. Alloy 709 is championed as the next generation of austenitic alloys for advanced nuclear reactors. In parallel to the ASME code case pursued, the AMMT program is initiating a neutron irradiation campaign to provide first-of-a-kind engineering data to establish operational design parameters and how the mechanical response is modified by environmental factors. This document refines the AMMT neutron irradiation campaign to a 4 year program to support the generation of creep knockdown factors for Alloy 709 and welded Alloy 709. The campaign is divided among two national laboratories, Oak Ridge National Laboratory and Idaho National Laboratory, to use the strengths of each laboratory. Through a cooperative plan, time-independent properties and time-dependent properties will be obtained across a large temperature window, nominally 300°C to 800°C, damage levels up to 10 dpa, and with and without the impacts of transmutation produced helium.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

The role of optimization in structural model refinement

To evaluate the role that optimization can play in structural model refinement, it is necessary to examine the existing environment for the structural design/structural modification process. The traditional approach to design, analysis, and modification is illustrated. Typically, a cyclical path is followed in evaluating and refining a structural system, with parallel paths existing between the real system and the analytical model of the system. The major failing of the existing approach is the rather weak link of communication between the cycle for the real system and the cycle for the analytical model. Only at the expense of much human effort can data sharing and comparative evaluation be enhanced for the two parallel cycles. Much of the difficulty can be traced to the lack of a user-friendly, rapidly reconfigurable engineering software environment for facilitating data and information exchange. Until this type of software environment becomes readily available to the majority of the engineering community, the role of optimization will not be able to reach its full potential and engineering productivity will continue to suffer. A key issue in current engineering design, analysis, and test is the definition and development of an integrated engineering software support capability. The data and solution flow for this type of integrated engineering analysis/refinement system is shown.

Lehman, L. L.↗

Optical Backplane Interconnect Technology (OBIT)

We describe and analyze a novel approach to implementing an Optical Backplane Interconnect Technology (OBIT) that is capable of optically connecting any row of a 32x32 backplane array to any row of a second 32x32 array. Each backplane array is formed monolithically on a wafer. The technology is based on the use of Grating Surface Emitting (GSE) waveguides formed on a wafer containing quantum-well and separate confinement waveguide layers. These layers are used for transverse guiding, gain, modulation, detection, and for the formation of wavelength tunable distributed-Bragg reflector lasers. The required surface structures are formed photolithographically. The GSE waveguides act as efficient antennae that radiate light at angles selected by tuning the wavelength of the lasers. The same waveguides may be used as the receiving antennae when the array is used in the receiving mode. Thus, wavelength tuning is used to direct each row of the transmitting array to the desired row of the receiving array. In summary: The optical backplane array will have the following characteristics: Any row of a 32x32 GSE array may be optically connected to any row of a second 32x32 array. Only one switch decision is required to switch 32 parallel connections to any one of 32 positions. Each monolithic array can be used as both transmitter and receiver by switching the bias on the quantum-well switch-detectors. Separate transmitting and receiving structures could be provided for duplex operation. For a bit error rate of 10 sup 9 at 100-MHz data rate, a required laser power of 12 mW is calculated based on an estimated total optical loss of 40 dB.

Hammer, J. M.↗

Growth-phase thinning of the near-Earth current sheet during the CDAW 6 substorm

The thinning of the near-Earth current sheet during the growth phase of the Coordinated Data Analysis Workshop (CDAW) 6 magnetospheric substorm is studied. The expansion onset of the substorm occurred at 1054 UT, March 22, 1979. During the growth phase, two spacecraft, International Sun Earth Explorer (ISEE) 1 and ISEE 2, were within the current sheet approximately 13 R(sub E) from the Earth and obtained simultaneous high-resolution magnetic data at two points in the current sheet. Plasma data were also provided by the ISEE spacecraft and solar wind data by IMP 8. To facilitate the analysis, the GSM magnetic field data are transformed to a 'neutral sheet coordinate system' in which the new x axis is parallel to the average magnetic field above and below the neutral sheet and the new y axis lies in the GSM equatorial plane. A model based on the assumption that the current sheet is a time-invariant structure fails to predict neutral sheet crossing times. Consequently, the Harris sheet model, which allows one to remove the restriction of time invariancy, is used instead. It is found that during the growth phase, a model parameter corresponding to the thickness of the current sheet decreased exponentially from about 5 R(sub E) to 1 R(sub E) with a time constant of about 14 min. In addition, the ISEE 1 and ISEE 2 neutral sheet crossings after expansion onset indicate that the neutral sheet was moving upward at 7 km/s relative to the spacecraft. Since both crossings occurred in approximately 80 s, the current sheet thickness is estimated to be about 500 km. These results demonstrate that the near-Earth current sheet undergoes dramatic thinning during the substorm growth phase and expansion onset.

Sanny, Jeff↗

Analytical model for drag reduction on liquid-infused structured non-wetting surfaces

Liquid-infused structured non-wetting surfaces provide alternating no-slip and partial slip boundary conditions to the fluid flow, resulting in reduced friction at the interface. In this paper, an analytical model is developed for the evaluation of effective slip and, in turn, friction factor and drag reduction on liquid-infused structured non-wetting surfaces. By considering the entire range of anisotropy and heterogeneity of the surface structures as well as the full range of partial slip offered by the infusion liquid, the present model eliminates empirical fitting or correlations that are inherent in previous studies. Based on the effective slip length, drag reduction and skin friction coefficient values for Newtonian flow between two infinite parallel plates and flow in round tubes are presented. Extension of Moody charts for non-wetting surfaces and design maps of surface meso/micro/nano texturing for achieving desired drag reduction are presented for a broad range of engineering applications. The paper further presents independent validation of the model across experimental and computational data from the literature and brings together several previous studies in a unified manner.

36 MATERIALS SCIENCE↗

Magnetic ordering in Eu 2 In and Eu 2 Sn

Eu 2 In and Eu 2 Sn crystallize in the orthorhombic Co 2 Si-type structure (oP12, Pnma, No. 62) with In and Sn atoms occupying one 4c site and the Eu atoms filling two other 4c sites. Eu 2 In has a nearly ideal first-order magnetostructural transition (FOMT) at 55 K with a hysteresis of less than 0.1 K, a large entropy change and an adiabatic temperature change of 5.0 K in a field of 2 T. The anhysteretic nature of the FOMT is likely due to there being no change in cell symmetry and relatively small changes in the lattice parameters. There is no magnetostructural transition in Eu2Sn. In this work we present the results of powder neutron diffraction, magnetization, and Eu Mössbauer spectroscopy aimed to investigate the nature of magnetic order for both Eu 2 In and Eu 2 Sn. The Eu Mössbauer spectrum of Eu 2 In at 5 K shows two equal area components, consistent with Eu occupying two equal multiplicity crystallographic sites. However, the different hyperfine fields (B) of 27 T and 17 T suggest that the magnetic environments of the Eu moments on the two 4c sites are different. Neutron diffraction data at 2.5 K show that in Eu 2 In the order is ferromagnetic, with Eu moments on both Eu sites oriented parallel to the a-axis; moment values of 6.8 μB and 6.5 μB were found. For Eu 2 Sn measurements find two antiferromagnetic transitions, which are corroborated by neutron diffraction. Analysis of density-functional theory calculations shows negligible energy difference between differing magnetic configurations, indirectly supporting stability of multiple magnetic structures observed experimentally. While the transition at T N1 = 30 K corresponds to the formation of a simple k 1 = 0 antiferromagnetic structure with Eu-moments pointing along the b-axis, at T N2 = 13 K a coexisting second magnetic order with k 2 = [0, ½, ½] appears.

36 MATERIALS SCIENCE↗

Crystal structure of indacaterol hydrogen maleate (C 24 H 29 N 2 O 3 )(HC 4 H 2 O 4 )

The crystal structure of indacaterol hydrogen maleate has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Indacaterol hydrogen maleate crystallizes in space groupP-1 (#24) witha= 8.86616(9),b= 9.75866(21),c= 16.67848(36) Å,α= 102.6301(10), β = 94.1736(6),γ= 113.2644(2)°,V= 1273.095(7) Å 3 , andZ= 2 at 295 K. The crystal structure consists of layers of cations and anions parallel to theab-plane. Traditional N–H⋯O and O–H⋯O hydrogen bonds link the cations and anions into chains along thea-axis. There is a strong intramolecular charge-assisted O–H⋯O hydrogen bond in the non-planar hydrogen maleate anion. There are also two C–H⋯O hydrogen bonds between the anion and cation. The cation makes a strong N–H⋯O hydrogen bond to the anion, but also acts as a hydrogen bond donor to an aromatic C in another cation. The amino group makes bifurcated N–H⋯O hydrogen bonds, one intramolecular and the other intermolecular. The hydroxyl group acts as a donor to another cation. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).

Materials Science↗

Ropes: Support for collective opertions among distributed threads

Lightweight threads are becoming increasingly useful in supporting parallelism and asynchronous control structures in applications and language implementations. Recently, systems have been designed and implemented to support interprocessor communication between lightweight threads so that threads can be exploited in a distributed memory system. Their use, in this setting, has been largely restricted to supporting latency hiding techniques and functional parallelism within a single application. However, to execute data parallel codes independent of other threads in the system, collective operations and relative indexing among threads are required. This paper describes the design of ropes: a scoping mechanism for collective operations and relative indexing among threads. We present the design of ropes in the context of the Chant system, and provide performance results evaluating our initial design decisions.

Haines, Matthew↗

Parallel file system with metadata distributed across partitioned key-value store c

Improved techniques are provided for storing metadata associated with a plurality of sub-files associated with a single shared file in a parallel file system. The shared file is generated by a plurality of applications executing on a plurality of compute nodes. A compute node implements a Parallel Log Structured File System (PLFS) library to store at least one portion of the shared file generated by an application executing on the compute node and metadata for the at least one portion of the shared file on one or more object storage servers. The compute node is also configured to implement a partitioned data store for storing a partition of the metadata for the shared file, wherein the partitioned data store communicates with partitioned data stores on other compute nodes using a message passing interface. The partitioned data store can be implemented, for example, using Multidimensional Data Hashing Indexing Middleware (MDHIM).

97 MATHEMATICS AND COMPUTING↗

America's Next Great Ship: Space Launch System Core Stage Transitioning from Design to Manufacturing

The Space Launch System (SLS) Program is essential to achieving the Nation's and NASA's goal of human exploration and scientific investigation of the solar system. As a multi-element program with emphasis on safety, affordability, and sustainability, SLS is becoming America's next great ship of exploration. The SLS Core Stage includes avionics, main propulsion system, pressure vessels, thrust vector control, and structures. Boeing manufactures and assembles the SLS core stage at the Michoud Assembly Facility (MAF) in New Orleans, LA, a historical production center for Saturn V and Space Shuttle programs. As the transition from design to manufacturing progresses, the importance of a well-executed manufacturing, assembly, and operation (MA&O) plan is crucial to meeting performance objectives. Boeing employs classic techniques such as critical path analysis and facility requirements definition as well as innovative approaches such as Constraint Based Scheduling (CBS) and Cirtical Chain Project Management (CCPM) theory to provide a comprehensive suite of project management tools to manage the health of the baseline plan on both a macro (overall project) and micro level (factory areas). These tools coordinate data from multiple business systems and provide a robust network to support Material & Capacity Requirements Planning (MRP/CRP) and priorities. Coupled with these tools and a highly skilled workforce, Boeing is orchestrating the parallel buildup of five major sub assemblies throughout the factory. Boeing and NASA are transforming MAF to host state of the art processes, equipment and tooling, the most prominent of which is the Vertical Assembly Center (VAC), the largest weld tool in the world. In concert, a global supply chain is delivering a range of structural elements and component parts necessary to enable an on-time delivery of the integrated Core Stage. SLS is on plan to launch humanity into the next phase of space exploration.

Birkenstock, Benjamin↗

Controlling the intermediate structure of an ionic liquid for f-block element separations

Recent research has revealed molecular structure beyond the inner coordination sphere is essential in defining the performance of separations processes, but nevertheless remains largely unexplored. Here we apply small angle neutron scattering (SANS) and x-ray absorption fine structure (XAFS) spectroscopy to investigate the structure of an ionic liquid system studied for f-block element separations. SANS data reveal dramatic changes in the ionic liquid microstructure (~150 Å) which we demonstrate can be controlled by judicious selection of counter ion. Mesoscale structural features (> 500 Å) are also observed as a function of metal concentration. XAFS analysis supports formation of extended aggregate structures, similar to those observed in traditional solvent extraction processes, and suggest additional parallels may be drawn from further study. As a result, achieving precise tunability over the intermediate features is an important development in controlling mesoscale structure and realizing advanced new forms of soft matter.

36 MATERIALS SCIENCE↗

Integrated fluorescence light microscopy-guided cryo-focused ion beam-milling for in situ montage cryo-ET

Cryogenic-electron tomography (cryo-ET) permits the in situ visualization of biological macromolecules at the molecular level. Owing to the variable thickness of cells, tissues and organisms, frozen specimens may need to be thinned by cryo-focused ion beam (FIB) milling to produce thin (<500 nm) cryo-lamellae suitable for cryo-ET. Locating regions of interest remains a challenge because untargeted milling can lead to inadvertent ablation and removal of regions of interest. Correlative light and electron microscopy, combined with cryo-FIB milling, can guide the identification of labeled targets in the cellular milieu. Multiple transfers between cryo-imaging instruments, cumbersome correlation algorithms, limited accuracy and low throughput have hindered the routine adoption of cryo-FIB milling within a multimodal correlative workflow for in situ structural biology. Here, in this study, we present a workflow for 3D correlative cryo-fluorescence light microscopy-FIB-ET that streamlines fluorescence light microscopy-guided FIB milling, improving throughput while preserving both structural and contextual information. The complete integration of hardware and software described here minimizes sample contamination from cross-platform exchanges and greatly enhances the efficiency of 3D targeting in cryo-milling. We then describe procedures for implementing montage parallel array cryo-ET (MPACT), which can be easily adapted to any modern life-science transmission electron microscope. MPACT supports high-throughput cryo-ET acquisitions (10 tilt series in 1.5 h) for structure determination and comprehensive contextual understanding of macromolecules within their native surroundings. A complete session from sample preparation to MPACT data processing takes 5−7 d for an individual experienced in both cryo-EM and cryo-FIB milling.

Yang, Jie E. [Univ. of Wisconsin, Madison, WI (Uni↗

Pseudonymization at Scale: OLCF’s Summit Usage Data Case Study

The analysis of vast amounts of data and the processing of complex computational jobs have traditionally relied upon high performance computing (HPC) systems, which offer reliable and efficient management of large-scale computational and data resources. Understanding these analyses’ needs is paramount for designing solutions that can lead to better science, and similarly, understanding the characteristics of the user behavior on those systems is important for improving user experiences on HPC systems. A common approach to gathering data about user behavior is to extract workload characteristics from system log data available only to system administrators. Recently at Oak Ridge Leadership Computing Facility (OLCF), however, we unveiled user behavior about the Summit supercomputer by collecting data from a user’s point of view with ordinary Unix commands.In this paper, we discuss the process, challenges, and lessons learned while preparing this dataset for publication and submission to an open data challenge. The original dataset contains personal identifiable information (PII) about the users of OLCF which needed be masked prior to publication, and we determined that anonymization, which scrubs PII completely, destroyed too much of the structure of the data to be interesting for the data challenge. We instead chose to pseudonymize the dataset, which reduced the linkability of the dataset to the users’ identities. Pseudonymization is significantly more computationally expensive than anonymization, and the size of our dataset, which is approximately 175 million lines of raw text, necessitated the development of a parallelized workflow that could be reused on different HPC machines. We demonstrate the scaling behavior of the workflow on two leadership class HPC systems at OLCF, and we show that we were able to bring the overall makespan time from an impractical 20+ hours on a single node down to around 2 hours. As a result of this work, we release the entire pseudonymized dataset and make the workflows and source code publicly available.

Maheshwari, Ketan↗