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At least 649 records · Page 36

2019 Computing Sciences Strategic Plan

Computing has transformed nearly every aspect of scientific inquiry — across disciplines and across scales — from the behavior of subatomic particles to the formation of structures in the early universe, from the assembly of the human genome to the evolution of earth systems. Over the past two decades, computing has become an integral part of how Berkeley Lab is “Bringing Science Solutions to the World.” Advances in computing and mathematics have been key, with new mathematical models of complex physical phenomena, new methods for analyzing complex data, new algorithms for accuracy and scaling and sophisticated software systems that encapsulate these techniques into open, reusable tools. The performance of NERSC computers and the ESnet network have grown by several orders of magnitude, along with our understanding of how to map scientific computations and workflows onto these systems. From research to facility operations, the passion, talent and dedication of the Computing Sciences Area staff has been the cornerstone of our success. The plan outlined in this document describes the next step in a journey to expand the influence and impact of our efforts, building an increasingly connected global enterprise for science that places more powerful instruments in the hands of scientists, along with more powerful methods and tools for modeling, analysis and prediction.

97 MATHEMATICS AND COMPUTING↗

Bench-Scale Electrolytic Dissolution of Quarter-Scale FCA Cans

In 2016, the Savannah River National Laboratory (SRNL) led, in support of and under sponsorship of the Department of Energy’s National Nuclear Security Administration (DOE/NNSA) Office of Material Management and Minimization (M3), the removal and transfer of the plutonium based Fast Critical Assembly (FCA) fuel from the Japan Atomic Energy Agency (JAEA) Tokai facility to the Savannah River Site (SRS). The team also included JAEA, multiple organizations in Savannah River Nuclear Solutions (SRNS), International Nuclear Services, and many other entities. The FCA fuel removal project completion was a key deliverable for M3 to the 2016 Nuclear Security Summit and constituted the largest inventory of weapons-usable plutonium removed under the nonproliferation program. The FCA materials consist of thousands of stainless steel (SS) clad plates and hundreds of SS clad rods. The FCA fuel elements were packaged in a carrier can and stored at SRS pending disposition of the fuel. Following an assessment of candidate disposition options, SRNS identified electrolytic dissolution (ED) as the most promising disposition option for the FCA plates and their preferred option was endorsed by DOE. This option entails electrochemically dissolving the entire FCA carrier can with fuel elements and was based on bench-scale laboratory testing and historical work on processing SS-clad and zirconium-clad uranium-based fuel in the H-Canyon electrolytic dissolver (last operated in 1980). The FCA plate consists of a plutonium-aluminum metal alloy core hermitically sealed in SS cladding.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Space Station Freedom status

Several graphs are presented which illustrate the restructuring activities of the Space Station Freedom. The restructed SSF program meets the objectives including cost guidelines. The solution adopted best features from alternative concepts. The SSF program allows significantly greater utilization opportunities than other programs. It was decided that pre-integration simplifies on-orbit assembly planning and operations. The SSF permanently manned configuration is shown.

Cox, John↗

Geostationary Operational Environmental Satellite (GOES)-8 mission flight experience

The Geostationary Operational Environmental Satellite (GOES)-8 spacecraft was launched on April 13, 1994, at 06:04:02 coordinated universal time (UTC), with separation from the Atlas-Centaur launch vehicle occurring at 06:33:05 UTC. The launch was followed by a series of complex, intense operations to maneuver the spacecraft into its geosynchronous mission orbit. The Flight Dynamics Facility (FDF) of the Goddard Space Flight Center (GSFC) Flight Dynamics Division (FDD) was responsible for GOES-8 attitude, orbit maneuver, orbit determination, and station acquisition support during the ascent phase. This paper summarizes the efforts of the FDF support teams and highlights some of the unique challenges the launch team faced during critical GOES-8 mission support. FDF operations experience discussed includes: (1) The abort of apogee maneuver firing-1 (AMF-1), cancellation of AMF-3, and the subsequent replans of the maneuver profile; (2) The unexpectedly large temperature dependence of the digital integrating rate assembly (DIRA) and its effect on GOES-8 attitude targeting in support of perigee raising maneuvers; (3) The significant effect of attitude control thrusting on GOES-8 orbit determination solutions; (4) Adjustment of the trim tab to minimize torque due to solar radiation pressure; and (5) Postlaunch analysis performed to estimate the GOES-8 separation attitude. The paper also discusses some key FDF GOES-8 lessons learned to be considered for the GOES-J launch which is currently scheduled for May 19, 1995.

Noonan, C. H.↗

Buckling and vibration analysis of laminated panels using VICONOPT

The analysis aspects of the 23,000-line FORTRAN program VIPASA with constraints and optimization (VICONOPT) are described. Overall stiffness matrices assembled from the earlier exact vibration and instability of plate assemblies including shear and anisotropy (VIPASA) flat plate stiffnesses are optionally coupled by Langrangian multipliers to find critical buckling loads, or natural frequencies of undamped vibration, of prismatic assemblies of anisotropic flat plates with arbitrarily located point supports or simple transverse supporting frames. The longitudunal continuity of typical wing and fuselage panels is closely approximated because the solutions are for the infinitely long structure obtained by repeating a bay and its supports longitudinally. Any longitudinally invariant in-plane plate stresses are permitted, and very rapid solutions are guaranteed by numerous refinements, including multilevel substructuring and a method for repetitive cross sections that is exact for regular polygons used to represent cylinders. Modal displacements and stresses in or between plies of laminated plates are calculated and plotted, with values being recovered at all nodes of substructures. Comparison with usual approximate finite-element methods confirms that, for comparably converged solutions, VICONOPT is typically between 100 and 10(exp 4) times faster.

Kennedy, David↗

Improvement in Geoid Models for Ocean Circulation Studies

At wavelengths of 500 km and longer, the GRACE GGM01 Model produces a significantly better marine geoid than any previous model. This conclusion follows from evaluating the geostrophic currents determined by combining the model with a mean sea surface from altimetry. The agreement with currents computed from a traditional hydrographic map is very close, which suggests that one of the primary missions of the TOPEX/POSEIDON mission, to determine the absolute dynamic ocean topography, may soon be met. This solution has been made available to the public at http://www.csr.utexs.edu/grace/gravity. The results reported in this paper have been presented at the 2003 EGS-AGU-EUG Joint Assembly. Two articles are currently being prepared for Geophysical Research Letters to summarize these results.

Tapley, Byron D.↗

In Situ Electrochemical Deposition of Microscopic Wires

A method of fabrication of wires having micron and submicron dimensions is built around electrochemical deposition of the wires in their final positions between electrodes in integrated circuits or other devices in which the wires are to be used. Heretofore, nanowires have been fabricated by a variety of techniques characterized by low degrees of controllability and low throughput rates, and it has been necessary to align and electrically connect the wires in their final positions by use of sophisticated equipment in expensive and tedious post-growth assembly processes. The present method is more economical, offers higher yields, enables control of wire widths, and eliminates the need for post-growth assembly. The wires fabricated by this method could be used as simple electrical conductors or as transducers in sensors. Depending upon electrodeposition conditions and the compositions of the electroplating solutions in specific applications, the wires could be made of metals, alloys, metal oxides, semiconductors, or electrically conductive polymers. In this method, one uses fabrication processes that are standard in the semiconductor industry. These include cleaning, dry etching, low-pressure chemical vapor deposition, lithography, dielectric deposition, electron-beam lithography, and metallization processes as well as the electrochemical deposition process used to form the wires. In a typical case of fabrication of a circuit that includes electrodes between which microscopic wires are to be formed on a silicon substrate, the fabrication processes follow a standard sequence until just before the fabrication of the microscopic wires. Then, by use of a thermal SiO-deposition technique, the electrodes and the substrate surface areas in the gaps between them are covered with SiO. Next, the SiO is electron-beam patterned, then reactive-ion etched to form channels having specified widths (typically about 1 m or less) that define the widths of the wires to be formed. Drops of an electroplating solution are placed on the substrate in the regions containing the channels thus formed, then the wires are electrodeposited from the solution onto the exposed portions of the electrodes and into the channels. The electrodeposition is a room-temperature, atmospheric-pressure process. The figure shows an example of palladium wires that were electrodeposited into 1-mm-wide channels between gold electrodes.

Yun, Minhee↗

A Non-Nuclear, Solar Powered Mission to Uranus Utilizing the PowerSail - a Large Solar Sail with Embedded Solar Cells

Powering missions to the outer solar system is a significant challenge. These missions are typically powered by a Radioisotope Thermoelectric Generator (RTG). Though these sources provide stable power regardless of location in space, they are expensive to produce, difficult to integrate, and have both safety concerns as well as negative sociopolitical connotations. Perhaps most importantly, the availability of their fuel, plutonium-238, is scarce. Solar power is often considered a more attractive option. However, photovoltaic generation falls off at the distance from the sun squared. This drives the size of traditional solar generators to infeasible levels for deep space and their utilization at locations deeper the Jupiter is currently non-existent. Herein, a hypothetical solution, the PowerSail, and its application to a non-nuclear Uranus mission is presented. The PowerSail is a marriage of solar sails and thin-film solar cell assemblies. Herein the application of PowerSail spacecraft to a high priority science mission, the Applied Physics Laboratory’s Uranus Probe and Explorer, is studied. The overall mission design along with key subsystems design changes are discussed, ultimately showing that a PowerSail could be utilized as a non-nuclear option to reach destinations very deep in our solar system. Key needed technology developments to make the PowerSail and such a mission a reality are given.

John A. Carr↗

A versatile strategy for controlled assembly of plasmonic metal/semiconductor hemispherical nano-heterostructure arrays

Recent advances in manipulating plasmonic properties of metal/semiconductor heterostructures have opened up new avenues for basic research and applications. Herein, we present a versatile strategy for the assembly of arrays of plasmonic metal/semiconductor hemispherical nano-heterostructures (MSHNs) with control over spacing and size of the metal/semiconductor heterostructure array, which can facilitate a wide range of scientific studies and applications. The strategy combines nanosphere lithography for generating the metal core array with solution-based chemical methods for the semiconductor shell that are widely available and kinetically controllable. Periodic arrays of Au/Cu 2 O and Ag/Cu 2 O heterostructures are synthesized to demonstrate the approach and highlight the versatility and importance of the tunability of plasmonic properties. The morphology, structure, optical properties, and elemental compositions of the heterostructures were analyzed. Finally, this strategy can be important for understanding and manipulating fundamental nanoscale solid-state physical and chemical properties, as well as assembling heterostructures with desirable structure and functionality for applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Frictionless Contact of Multilayered Composite Half Planes Containing Layers With Complex Eigenvalues

A previously developed local-global stiffness matrix methodology for the response of a composite half plane, arbitrarily layered with isotropic, orthotropic or monoclinic plies, to indentation by a rigid parabolic punch is further extended to accommodate the presence of layers with complex eigenvalues (e.g., honeycomb or piezoelectric layers). First, a generalized plane deformation solution for the displacement field in an orthotropic layer or half plane characterized by complex eigenvalues is obtained using Fourier transforms. A local stiffness matrix in the transform domain is subsequently constructed for this class of layers and half planes, which is then assembled into a global stiffness matrix for the entire multilayered half plane by enforcing continuity conditions along the interfaces. Application of the mixed boundary condition on the top surface of the half plane indented by a rigid punch results in an integral equation for the unknown pressure in the contact region. The integral possesses a divergent kernel which is decomposed into Cauchy-type and regular parts using the asymptotic properties of the local stiffness matrix and a relationship between Fourier and finite Hilbert transform of the contact pressure. The solution of the resulting singular integral equation is obtained using a collocation technique based on the properties of orthogonal polynomials developed by Erdogan and Gupta. Examples are presented that illustrate the important influence of low transverse properties of layers with complex eigenvalues, such as those exhibited by honeycomb, on the load versus contact length response and contact pressure distributions for half planes containing typical composite materials.

Zhang, Wang↗

EVA assembly and release of highly loaded bolts

The modification of a multi-jackbolt mechanism, Superbolt(TM), for on-orbit release of highly loaded bolts is described. Preload and release test data demonstrate that modification of a commercial product produced a solution for the deployment of the Space Station Remote Manipulator System (SSRMS) that was less expensive, faster, and lighter than other alternatives. Using the Superbolt design, virtually unlimited bolt loads can be applied or released with a standard wrench.

Olmstead, Jim↗

Positioning Accuracy in a Concurrent Robot-CNC Hybrid Manufacturing System

Abstract Additive manufacturing (AM) has gained notoriety for offering advantages over traditional manufacturing methods, such as increased design complexity and flexibility. However, it has not found widespread use beyond rapid prototyping. One hindrance to the acceptance of AM processes in industry is the time and cost of fabrication per component. While metal AM by itself can be inexpensive, extra manufacturing steps in the form of subtractive manufacturing (SM) may need to be performed to reach final part tolerances, leading to hybrid additive-subtractive manufacturing (HASM) of a part, which increases time and cost. A potential area to reduce cost is through increasing the efficiency of the HASM process by conducting additive and subtractive manufacturing simultaneously. Usually, HASM is performed in a process where AM is completed in one machine or cell and transferred to another machine or cell for SM in a sequential assembly line process. This efficiency decreases part cost, but high aspect ratio parts or parts with internal geometry that require interleaved additive deposition and machining cannot be produced. One unexplored solution to simultaneous HASM that allows for interleaved operations is to operate the deposition head and machining spindle concurrently within the same machine envelope, known as concurrent HASM (CHASM). In this type of process, both AM and SM occur simultaneously on a batch of small parts or a single large part, maintaining a high efficiency without sacrificing the full range of complex geometries that AM allows for. A potential approach to the single-machine method could be to combine a robot and mill within the same envelope. A challenge to this approach, however, is control of both systems. Most machine controllers have limited external communication or, if a robot has been integrated, only offer movement of either the robot or mill at any given time. As a result, systems must pause either the AM or SM process to switch between them rather than working simultaneously. The present work investigates the positional accuracy of such a CHASM system comprised of a robotic arm and a 3-axis mill. Open-loop tests with limited communication between machines are performed on the system to verify positional error during concurrent robot-mill movements. Under certain conditions, it is demonstrated that position error can stay within 2 mm for the duration of a single layer; however, these tests show that, generally, the open-loop positioning performance of the system is inadequate for CHASM without part-specific hand-tuning of parameters. Based on these results, a set of requirements for successful robot-CNC CHASM is proposed for future integrations.

Goodwin, Jesse↗

GenomeFace v1.0

GenomeFace is meta-genome binning software. Metagenomic binning, the process of grouping DNA sequences into taxonomic units, is critical for understanding the functions, interactions, and evolutionary dynamics of microbial communities. We propose a deep learning approach to binning using two neural networks, one based on composition and another on environmental abundance, dynamically weighting the contribution of each based on characteristics of the input data. Trained on over 43,000 prokaryotic genomes, our network for composition-based binning is inspired by metric learning techniques used for facial recognition. Using a task-specific, multi-GPU accelerated algorithm to cluster the embeddings produced by our network, our binner leverages marker genes observed to be universally present in nearly all taxa to grade and select optimal clusters of sequences from a hierarchy of candidates. We evaluate our approach on four simulated datasets with known ground truth. Our linear time integration of marker genes recovers more near complete genomes than state of the art but computationally infeasible solutions using them, while being over an order of magnitude faster. Finally, we demonstrate the scalability and acuity of our approach by testing it on three of the largest metagenome assemblies ever performed. Compared to other binners, we produced 47%-183% more near complete genomes. From these datasets, we find over the genomes of over 3000 new candidate species which have never been previously cataloged, representing a potential 4% expansion of the known bacterial tree of life.

Lettich, Richard [Lawrence Berkeley National Labor↗

Scorpius Injector Solenoid Magnet Alignment and Characterization

The Scorpius project consists of a linear induction accelerator (LIA) that will be built in the coming few years at the Nevada test site. Large radius solenoid magnets are used to focus and transport the electron beam through the injector of Scorpius. Typically, solenoid magnets are wrapped directly around the beam pipe. They have an inner radius of about 8 cm and weight approximately 170 lbs. The magnets for the Scorpius injector are much larger, the largest of which extends to an inner radius of 45 cm with a weight of 709 lbs. In addition, the magnet measurement effort is typically time-consuming, taking several months to complete. With 5 different designs of 52 solenoid magnets to measure in under a year, this is a challenging undertaking that requires a systems solution. Due to the size, variability, and quantity of solenoid magnets, as well as the compressed schedule, the process of measuring the solenoid magnets before integrating them into their respective assemblies and shipping them to Nevada is a challenging problem. There is a need for the injector magnets to be characterized and aligned in preparation for the commissioning of Scorpius. This will ensure that the injector magnet installation meets requirements.

42 ENGINEERING↗

Fluoride Analysis by Ion Chromatography in Support of Fast Critical Assembly (FCA) Spent Nuclear Fuel Processing

INTRODUCTION The Savannah River Site (SRS) is currently processing Fast Critical Assembly (FCA) fuel received from the Japan Atomic Energy Agency (JAEA) for disposition. Stainless steel-clad plate and rods in stainless steel containers are dissolved using electrolysis with a solution mixture of nitric acid (HNO3), potassium fluoride (KF), and gadolinium (Gd). An ion chromatography (IC) was developed and vetted to monitor fluoride at various sampling points of the process. To finalize the method, FCA test solution was analyzed to qualify the analytical method followed by real FCA process solution analysis using two different analytical columns. This presentation summarizes the development and vetting of the IC method.

White, Thomas L. [Savannah River National Laborato↗

End effects in scarf joints

Scarf joints with small scarf angles are especially sensitive to stiffness mismatch between adherends and to adherend tip bluntness. Pre-assembly breakage of an adherend tip where it is only a few microns thick can cause significant reduction in joint strength. Mathematically, the reason for such sensitivity is that the solutions to the governing differential equation develop boundary layer character when the scarf angles are small. The boundary layers are regions with large adhesive stresses. Experimental strength data for laminated composite adherends agree with the results of this analysis.

Adkins, D. W.↗

AI‐Accelerated Optimization of Self‐Assembled Organic Mixed Ionic‐Electronic Conductors (OMIEC) (Final Report)

This document describes research activities, products and outcomes of a DOE-funded program to help accelerate development of Organic Mixed Ionic Electronic Conductors (OMIECs) using neutron scattering and high-throughput experimentation. OMIECs are organic materials that conduct both ionic and electronic charge carriers. For these new OMIEC materials, self-assembling ion-conducting block copolymers (BCPs) are used as a structural template for electronic conducting polymers. This forms OMIECs with long-range structural order that can help facilitate long-range electronic transport. The conductive properties of OMIECs are closely associated with their structure, which is affected by solution conditions and polymer macromolecular designs. Thus high-throughput experimentation has been implemented to explore this large design space effectively. The BCP-CP OMIEC systems explored are composed of ion-conducting diblock or triblock copolymers containing polyethylene oxide (PEO), di(ethylene glycol) ethyl ether acrylate (DEGEEA) or poly(ethylene glycol) methyl ether acrylate) (PEGMEA) hydrophilic blocks. These blocks will be coupled with either polypropylene oxide (PPO) or polyheptafluorobutyl acrylate (PHFBA) hydrophobic blocks to drive assembly. The electronic conducting component consists of several different types of conjugated polymers. Small angle scattering of neutrons and X-rays (SANS/SAXS) as well as electrochemical analysis have been coupled with modern algorithms for autonomous research using artificial intelligence (AI).

36 MATERIALS SCIENCE↗

The assembly and properties of protobiological structures - The beginnings of cellular peptide synthesis

New data indicate that lysine-rich proteinoids have the ability to catalyze the synthesis of peptide bonds from a variety of amino acids and ATP. This capacity is evident in aqueous solution, in suspension of phase-separated complexes of lysine-rich proteinoid with acidic proteinoids, and in suspension of phase-separated particles composed of lysine-rich proteinoids with polynucleotides. Since the proteinoid complexes can contain other catalytic activities, including ability to catalyze internucleotide bond formation, it is inferred that the first protocells on earth already had a number of biological types of activity.

Fox, S. W.↗