Grouping techniques for large-scale cluster dynamics simulations of reaction diffusion processes
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Materials Science↗
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Results for “Group Processes”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Sn x Ge 1– x Alloy Nanocrystals: A First Step toward Solution-Processed Group IV Photovoltaics
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bio-inspired↗
Polycrystalline Thin-Film Research: Copper Indium Gallium Diselenide
Copper indium gallium diselenide (CIGS) solar cells are one of the primary focuses of research by the Thin Film Material Science and Processing Group. The group develops processes and materials related to thin-film polycrystalline photovoltaic (PV) devices as well as the equipment required for routine analysis of these devices and materials. We work closely with other groups in the Materials Science Center to achieve a deeper understanding of thin-film materials and devices.
capabilities↗
Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes
Metal atom lability from a well-defined bimetallic cluster was canvassed as a function of ligand substitution, redox chemistry, and group transfer processes.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Panel Session 104: US DOE LLW On-Site Disposal: LLW Disposal Facility Federal Review Group Review Process
The US DOE Low-Level Waste Disposal Facility Federal Review Group (LFRG) as the regulatory authority for onsite low-level waste disposal facilities for the complex per DOE Order 435.1. This panel focused on the review process for technical basis documents including the Performance Assessments that are used to issue the disposal authorization statement Presentations proposed include: 1 - Low-Level Waste Disposal Overview (Jhon Carilli, US DOE EM Nevada (USA)); 2 - Factors Influencing Allowable Waste Concentrations and Inventories at Disposal Facilities (Roger Seitz, IEI (USA)); 3 - Low-Level Waste Disposal Facility Federal Review Group - LFRG (Jaffet Ferrer-Torres, US DOE (USA))
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Production processing and workflow management software evaluation in the DUNE collaboration
The Deep Underground Neutrino Experiment (DUNE) will be theworld’s foremost neutrino detector when it begins taking data in the mid-2020s.Two prototype detectors, collectively known as ProtoDUNE, have begun tak-ing data at CERN and have accumulated over 3 PB of raw and reconstructeddata since September 2018. Particle interaction within liquid argon time projec-tion chambers are challenging to reconstruct, and the collaboration has set upa dedicated Production Processing group to perform centralized reconstructionof the large ProtoDUNE datasets as well as to generate large-scale Monte Carlosimulation. Part of the production infrastructure includes workflow manage-ment software and monitoring tools that are necessary to eciently submit andmonitor the large and diverse set of jobs needed to meet the experiment’s goals.We will give a brief overview of DUNE and ProtoDUNE, describe the varioustypes of jobs within the Production Processing group’s purview, and discuss thesoftware and workflow management strategies are currently in place to meetexisting demand. We will conclude with a description of our requirements in aworkflow management software solution and our planned evaluation process.
Herner, Kenneth R.↗
HEP Software Foundation Community White Paper Working Group - Data Processing Frameworks
Data processing frameworks are an essential part of HEP experiments' software stacks. Frameworks provide a means by which code developers can undertake the essential tasks of physics data processing, accessing relevant inputs and storing their outputs, in a coherent way without needing to know the details of other domains. Frameworks provide essential core services for developers and help deliver a configurable working application to the experiments' production systems. Modern HEP processing frameworks are in the process of adapting to a new computing landscape dominated by parallel processing and heterogeneity, which pose many questions regarding enhanced functionality and scaling that must be faced without compromising the maintainability of the code. In this paper we identify a program of work that can help further clarify the key concepts of frameworks for HEP and then spawn R&D activities that can focus the community's efforts in the most efficient manner to address the challenges of the upcoming experimental program.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Panel Session 105: US DOE LLW On-Site Disposal: LLW Disposal Facility Federal Review Group Review Process
This panel focuses on risk-informed provision for waste management of US DOE radioactive wastes. Detailed information on the high-level radioactive waste interpretation Federal Register Notice will be discussed to better educate the audience in understanding that interpretation. The Co-Chairs and panelists each introduced themselves. Presentations proposed include: 1 - Overview of Public Comments on the Proposed High-Level Radioactive Waste Interpretation (Theresa Kliczewski, US DOE EM (USA)); 2 - ECA Presentation on Implementation Approaches and Expectations for Radwaste Management; DOE Order 435.1 (Kara Colton, Energy Communities Alliance (USA)); 3 - 2019 Grassroots Efforts to Clarify HLW Definition (Rick McLeod, Savannah River Site Community Reuse Organization - SRSCRO (USA))
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Complexation and Solvent Extraction Studies of High Valency Actinides by Hard/Soft Donor Schiff Base Ligands
Successful separation of the mid actinides (U, Np, Pu, Am) from other elements is imperative for drastically lowering the long term radiotoxicity of SNF. Ubiquitous to these mid actinides is a wide range of oxidation states (+III, +IV, +V, +VI) where the +V and +VI oxidation states exist in a linear dioxo actinyl cation AnO{sub 2}{sup n+} (O=An=O){sup n+} guaranteeing unique ligand coordination about the equatorial plane. Multidentate Schiff base ligands which possess nitrogen and oxygen donor groups can accommodate the steric demands of the actinyl cations as well as providing selectivity for actinides in a separation process. Group extraction or retention of the mid actinides in a biphasic solvent extraction process can be achieved by complexation of their actinyl species by Schiff base ligands in one phase while all other non actinyl cations are complexed in the other phase. (authors)
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Energy Efficiency Collaboratives
Collaboratives for energy efficiency have a long and successful history and are currently used, in some form, in more than half of the states. Historically, many state utility commissions have used some form of collaborative group process to resolve complex issues that emerge during a rate proceeding. Rather than debate the issues through the formality of a commission proceeding, disagreeing parties are sent to discuss issues in a less-formal setting and bring back resolutions to the commission. Energy efficiency collaboratives take this concept and apply it specifically to energy efficiency programs—often in anticipation of future issues as opposed to reacting to a present disagreement. Energy efficiency collaboratives can operate long term and can address the full suite of issues associated with designing, implementing, and improving energy efficiency programs. Collaboratives can be useful to gather stakeholder input on changing program budgets and program changes in response to performance or market shifts, as well as to provide continuity while regulators come and go, identify additional energy efficiency opportunities and innovations, assess the role of energy efficiency in new regulatory contexts, and draw on lessons learned and best practices from a diverse group. Details about specific collaboratives in the United States are in the appendix to this guide. Collectively, they demonstrate the value of collaborative stakeholder processes in producing successful energy efficiency programs.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Using Project Complexity Determinations to Establish Required Levels of Project Rigor
The concepts discussed in this paper 1) focus on using technical competencies and skills in making objective determinations regarding project complexity based on objective scoring criteria and 2) then using the complexity determinations to establish the level of rigor required in initiating, planning, executing, monitoring and controlling, and closing projects to maximize process efficiency. This paper presents a project complexity analysis methodology for defining the levels of project management process rigor a project team needs to employ to maximize project delivery efficiencies without compromising quality and performance. Methods for making project complexity determinations based on project lifecycle size, duration, organizational complexity, requirements, technology readiness, risk, and visibility are discussed. The paper correlates the levels of rigor needed by project management process groups given the determined level of project complexity. Next, the paper presents a graded approach to defining extent of team formation, planning documentation rigor, stakeholder communication rigor, requirements management rigor, acquisition planning, risk management, executing, and monitoring and controlling rigor dependent on project complexity determinations. Methods for integrating and aligning the project complexity determination methods into existing project management procedures and processes are also discussed as well as methods for training personnel in the use of the method and facilitating and monitoring effectiveness of implementation within an organization in which project delivery is a mission focus.
complexity, project, determination, management, tr↗
The LLNL nuclear data infrastructure for the GNDS data format
The next generation of nuclear data infrastructure tools at the Livermore National Laboratory (LLNL) consists of pipeline of codes that read and process nuclear data from evaluated files saved in the new GNDS (Generalised Nuclear Data Structure) nuclear data format. The processing code FUDGE (For Updating Data and Generating Evaluations) is at the front-end of this pipeline as it reads and process the evaluated data for use in downstream transport codes. FUDGE is Python based with C and C++ extensions for computationally intensive tasks. As is the case for the evaluated data, the processed output is also saved in the GNDS format and the GIDI+ API is provided as the interface between the processed data and the transport codes. GIDI+ is a C++ based suite of codes and it includes GIDI (General Interaction Data Interface), a library for reading and writing GNDS data, and MCGIDI which is the cross section lookup, and reaction and product distribution sampling interface between Monte Carlo transport codes and the GNDS data. GIDI provides methods for easy access to the multi-group processed GNDS data and this is demonstrated through its implementation in ARDRA, the LLNL deterministic transport code. The evaluation and sampling methods in MCGIDI are available as both CPU and GPU methods which facilitates the use of MCGIDI in both traditional CPU-based as well as the next generation mixed model computational architectures. This is demonstrated through the GIDI+ implementation in MERCURY, the LLNL Monte Carlo transport code. (authors)
22 GENERAL STUDIES OF NUCLEAR REACTORS↗
Overview of the Process Automation and Control Group (E-3) [Slides]
Process Automation and Control (E-3) is a part of the Weapons Associate Laboratory Directorate (DDW) which includes Weapons Engineering Directorate (WE) and the Engineering Technology and Design (E) Division. There are three teams: Fabrication and Assembly, Process Controls, and Automation and Robotics. After an overview of the group, information is provided about an internship and how to apply.
45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
Scalable implementation of polynomial filtering for density functional theory calculation in PARSEC
In this work, we present an efficient implementation of polynomial filtering methods in PARSEC, a real-space pseudopotential based Kohn–Sham density functional theory solver. The implementation described here improves upon a Chebyshev-filtered subspace iteration algorithm used in the previous version of PARSEC. We present a hybrid polynomial filtering scheme that combines Chebyshev-filtered subspace iteration and a spectrum slicing method that partitions the spectrum into several spectral slices and uses bandpass-filtered subspace iteration to compute approximate eigenpairs within each interior slice simultaneously. We describe a procedure to partition a spectrum and construct polynomial filters. We also discuss a number of practical issues such as the use of appropriate data layouts for carrying out the computation on a two-dimensional process grid and how to achieve good load balance by allocating an appropriate number of process groups to each spectral slice. Numerical examples are presented to demonstrate the effectiveness of the hybrid polynomial filtering method as well as the superior parallel scalability of spectrum slicing in comparison to that of Chebyshev-filtered subspace iteration.
97 MATHEMATICS AND COMPUTING↗
ESS-DIVE File Level Metadata Extractor
The File-level Metadata (FLMD) parser is a lightweight python script that can produce a summary of fields based on column headers within a Comma-separated Values (CSV) file. The script enables a way to extract certain metadata fields from CSV data files. An optional configuration file can be used to select specific column headers to extract a smaller subset of values. The script can be used on a single file, or it can be given a directory to process groups of files in bulk. The FLMD parser outputs the metadata as a JSON and can be configured to updated the source file or produce an external companion file.
McNelis, Jack↗
A correlation between seasonally changing photoperiod, whole body lipid, and condition factor in juvenile spring Chinook salmon (Oncorhynchus tshawytscha)
The regulation of lipid stores is a central process for the physiology and ecology of fishes. Seasonal variation in lipid stores has been directly linked to survival of fishes across periods of food deprivation. We assessed whether a seasonally changing photoperiod was correlated to seasonal changes in energetic status to help better understand these important processes. Groups of first feeding Chinook salmon fry were introduced to a seasonal photoperiod cycle, but the point of entrance into the seasonal cycle varied from near the winter solstice (December), to either side of the spring equinox (February & May). Temperature and feeding rate were similar for all treatments. Subsequently, condition factor and whole body lipid content were assessed through a seasonal progression. Throughout most of the experiment, length and weight did not differ between the different photoperiod treatments, however whole body lipid and Fulton’s condition factor did. Furthermore, changes in both whole body lipid and Fulton’s condition factor in all treatment groups followed a similar seasonal pattern that was inversely related to day length (highest K and lipid levels found during days with the least light). These results suggest that regardless of age or size, there is a correlation between seasonal changes in photoperiod and changes in body composition in juvenile Chinook salmonids.
Spangenberg, Dina K. (ORCID:000000018861395X)↗
Materials characterization studies on LANA75/85 materials for replacement beds
During FY15 and FY16, a purchase order (PO) was placed with Japan Metals and Chemicals, USA after an open bidding procurement process for 282 kg of LaNi 4.25 Al 0.75 and 226 kg. of LaNi 4.15 Al 0.85 . These materials were to be used in Tritium Facility replacement beds for existing beds that have reached the end of their useful life. As part of the PO, a 100 g. sample of each material was delivered to the SRNL Hydrogen Processing Group for characterization studies as is typically done for all newly acquired hydride materials. The PO actually employed a “trust but verify” approach where JMCUSA was allowed to ship materials it felt met specifications without SRS confirmation, as long as the data used to do so was delivered to SRS as part of the PO documentation package. Subsequent SRNL analysis revealed that the material met all specifications and was of very high quality. This report documents those findings.
36 MATERIALS SCIENCE↗
Component Testing Supporting SHINE Medical Technologies
SHINE is going to be implementing a tritium gas processing system to support their Mo-99 work. They have requested that the Hydrogen Process Group of SRNL does some required testing on the system components before startup. The lab plans on conducting both seismic and valve testing. Test Plan: - Testing 10 1C valves 750,000 cycles or until failure; - Testing intervals will be every couple thousand; - 1C valves will have metal stem tips instead of Polymer due to being in a tritium prone area; - Hope that the valves will still have enough force to create a sufficient seal with metal stem tips; - Goal is for a more cost and space efficient alternative to the 5C valves. Status: - Received half the parts, waiting on the other half due to long procurement times; - Waiting on the LabVIEW program which will perform the testing. Path Forward: - R and DE to change out the stem tips (July 2018); - Assemble Manifold (July 2018); - Perform Testing (August 2018); - Report (September 2018). Since SRNL does not own a shaker table, the test will be conducted at a facility like the NTS Facility in Huntsville, Alabama. Test Plans: - Leak Testing; - Use LabVIEW to monitor for leaks before, during and after seismic testing with an Electronic Pressure Transducer; - If leak is detected, sniff for location using Helium Leak Detector; - Connector Testing; - Use LabVIEW to test for electrical continuity before, during and after seismic testing; - If a connectors continuity is interrupted, further testing will be performed; - Each Pin in faulty connector will be testing to determine specific location of disruption. Path Forward: - Pick a Qualified Vender for testing (July 2018); - Procure the connector plugs (July 2018); - Send components and test plan to facility for testing (August 2018); - Perform Testing (August-September 2018); - Report Results (September 2018)
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗