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At least 343 records · Page 19

The Chemical Management System (CMS): A Useful Tool for Inventory Management

Comprehensive inventory management is central to the efficient operation of any facility that uses and stores chemicals. There are numerous software packages available that perform this function satisfactorily. Most commercially available inventory management software is regulatory or procurement focused and usually comes with upfront or monthly fees. Finally, this report describes freely downloadable software developed at Sandia National Laboratories that delivers an effective inventory management system with an additional focus on chemical security.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

2016 Research Outreach Program report

This paper is the research activity report for 4 weeks in LANL. Under the guidance of Dr. Lee, who performs nuclear physics research at LANSCE, LANL, I studied the Low Energy NZ (LENZ) setup and how to use the LENZ. First, I studied the LENZ chamber and Si detectors, and worked on detector calibrations, using the computer software, ROOT (CERN developed data analysis tool) and EXCEL (Microsoft office software). I also performed the calibration experiments that measure alpha particles emitted from a Th-229 source by using a S1-type detector (Si detector). And with Dr. Lee, we checked the result.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Disturbed, diffuse, or just missing? A global study of the H I content of Hickson compact groups

Hickson compact groups (HCGs) are dense configurations of four to ten galaxies, whose H I morphology appears to follow an evolutionary sequence of three phases, with gas initially confined to galaxies, then significant amounts spread throughout the intra-group medium, and finally with almost no gas remaining in the galaxies themselves. It has also been suggested that several groups may harbour a diffuse H I component that is resolved out by interferometric observations. The H I deficiency of HCGs is expected to increase as the H I morphological phase progresses along the evolutionary sequence. If this is the case, H I deficiency would be a rough proxy for the age and evolutionary state of a HCG. We aim to test this hypothesis for the first time using a large sample of HCGs and to investigate the evidence for diffuse H I in HCGs. We performed a uniform reduction of all publicly available VLA H I observations (38 HCGs) with a purpose-built pipeline that also maximises the reproducibility of this study. The resulting H I data cubes were then analysed with the latest software tools to perform a manual separation of emission features into those belonging to galaxies and those extending into the intra-group medium. We thereby classified the H I morphological phase of each group as well as quantified their H I deficiency compared to galaxies in isolation. We find little evidence that H I deficiency can be used as a proxy for the evolutionary phase of a compact group in either of the first two phases, with the distribution of H I deficiency being consistent in both. However, for the final phase, the distribution clearly shifts to high H I deficiencies, with more than 90% of the expected H I content typically missing. Across all HCGs studied, we identify a few cases where there is strong evidence for a diffuse gas component in the intra-group medium, which might be detectable with improved observations. We also classify a new sub-phase where groups contain a lone H I -bearing galaxy, but are otherwise devoid of gas. The new morphological phase we have identified is likely the result of an evolved, gas-poor group acquiring a new, gas-rich member. The large spread of H I deficiencies in the first two morphological phases suggests that there is a broad range of initial H I content in HCGs, which is perhaps influenced by large-scale environment, and that the timescale for morphological changes is, in general, considerably shorter than the timescale for the destruction or consumption of neutral gas in these systems.

79 ASTRONOMY AND ASTROPHYSICS↗

Complex software dedicated for design and simulation of LPCE process for heavy water detritiation

The main purpose of this paper is to present a comprehensive software, SICA, designed to be used in water-hydrogen liquid phase catalytic exchange process (LPCE). The software calculates the water-gas catalytic isotopic exchange process, following the transfer of any H, D or T isotope from water to gas and vice versa. This software is useful for both design and laboratory-based research; the type of the catalytic filling (ordered or random) can be defined for any of these 2 cases, the isotopic calculation being specific to the package type. For the laboratory-based research, the performance of a catalytic packing can be determined by knowing the type and by using experimental results. Performance of the mixed catalytic packing is defined by mass transfer constants for each catalytic and hydrophilic package in that specific arrangement, and also for the isotope whose transfer is studied from one phase to another. Also, it has been established a link between these constants and commonly used parameters for the fillings performance defined by HETP (Height Equivalent of Theoretical Plate). To demonstrate the performance of the software, we present a comparative analysis of water-gas catalytic isotopic exchange on a column equipped with 3 types of filling: successive layers, random and structured (ordered package filled with catalyst). The program can be used for the LPCE process calculation, process used at detritiation facilities for CANDU reactors or fusion reactors. (authors)

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

WE-D-204-06: An Open Source ImageJ CatPhan Analysis Tool

Purpose: The CatPhan is a popular QA device for assessing CT image quality. There are a number of software options which perform analysis of the CatPhan. However, there is often little ability for the user to adjust the analysis if it isn’t running properly, and these are all expensive options. An open source tool is an effective solution. Methods: To use the software, the user imports the CT as an image sequence in ImageJ. The user then scrolls to the slice with the lateral dots. The user then runs the plugin. If tolerance constraints are not already created, the user is prompted to enter them or to use generic tolerances. Upon completion of the analysis, the plugin calls pdfLaTex to compile the pdf report. There is a csv version of the report as well. A log of the results from all CatPhan scans is kept as a csv file. The user can use this to baseline the machine. Results: The tool is capable of detecting the orientation of the phantom. If the CatPhan was scanned backwards, one can simply flip the stack of images horizontally and proceed with the analysis. The analysis includes Sensitometry (estimating the effective beam energy), HU values and linearity, Low Contrast Visibility (using LDPE & Polystyrene), Contrast Scale, Geometric Accuracy, Slice Thickness Accuracy, Spatial resolution (giving the MTF using the line pairs as well as the point spread function), CNR, Low Contrast Detectability (including the raw data), Uniformity (including the Cupping Effect). Conclusion: This is a robust tool that analyzes more components of the CatPhan than other software options (with the exception of ImageOwl). It produces an elegant pdf and keeps a log of analyses for long-term tracking of the system. Because it is open source, users are able to customize any component of it.

60 APPLIED LIFE SCIENCES↗

Software Comparison for Renewable Energy Deployment in a Distribution Network

The main objective of this report is to evaluate different software options for performing robust distributed generation (DG) power system modeling. The features and capabilities of four simulation tools, OpenDSS, GridLAB-D, CYMDIST, and PowerWorld Simulator, are compared to analyze their effectiveness in analyzing distribution networks with DG. OpenDSS and GridLAB-D, two open source software, have the capability to simulate networks with fluctuating data values. These packages allow the running of a simulation each time instant by iterating only the main script file. CYMDIST, a commercial software, allows for time-series simulation to study variations on network controls. PowerWorld Simulator, another commercial tool, has a batch mode simulation function through the 'Time Step Simulation' tool, which obtains solutions for a list of specified time points. PowerWorld Simulator is intended for analysis of transmission-level systems, while the other three are designed for distribution systems. CYMDIST and PowerWorld Simulator feature easy-to-use graphical user interfaces (GUIs). OpenDSS and GridLAB-D, on the other hand, are based on command-line programs, which increase the time necessary to become familiar with the software packages.

24 POWER TRANSMISSION AND DISTRIBUTION↗

RAVEN, a New Software for Dynamic Risk Analysis

RAVEN is a generic software driver to perform parametric and probabilistic analysis of code simulating complex systems. Initially developed to provide dynamic risk analysis capabilities to the RELAP-7 code [1] is currently being generalized with the addition of Application Programming Interfaces (APIs). These interfaces are used to extend RAVEN capabilities to any software as long as all the parameters that need to be perturbed are accessible by inputs files or directly via python interfaces. RAVEN is capable to investigate the system response probing the input space using Monte Carlo, grid strategies, or Latin Hyper Cube schemes, but its strength is its focus toward system feature discovery like limit surfaces separating regions of the input space leading to system failure using dynamic supervised learning techniques. The paper will present an overview of the software capabilities and their implementation schemes followed by same application examples.

97 MATHEMATICS AND COMPUTING↗

Introducing PRIMRE’s MRE Software Knowledge Hub

This paper focuses on the role of the Marine Renewable Energy (MRE) Software Knowledge Hub on the Portal and Repository for Information on Marine Renewable Energy (PRIMRE). The MRE Software Knowledge Hub provides online services for MRE software users and developers, and seeks to develop assessments and recommendations for improving MRE software in the future. Online software discovery platforms, known as the Code Hub and the Code Catalog, are provided. The Code Hub is a collection of open-source MRE software that includes a landing page with search functionality, linked to files hosted on the MRE Code Hub GitHub organization. The Code Catalog is a searchable online platform for discovery of useful (open-source or commercial) software packages, tools, codes, and other software products. To gather information about the existing MRE software landscape, a software survey is being performed, the preliminary results of which are presented herein. Initially, the data collected in the MRE software survey will be used to populate the MRE Software knowledge hub on PRIMRE, and future work will use data from the survey to perform a gap analysis and develop a vision for future software development. Additionally, as one of PRIMRE’s roles is to support development of MRE software within project partners, a silo of knowledge relating to best practices has been gathered.

marine, energy, open source software, MHKiT, MRE C↗

Introducing PRIMRE's MRE Software Knowledge Hub (February 2021)

This paper focuses on the role of the Marine Renewable Energy (MRE) Software Knowledge Hub on the Portal and Repository for Information on Marine Renewable Energy (PRIMRE). The MRE Software Knowledge Hub provides online services for MRE software users and developers, and seeks to develop assessments and recommendations for improving MRE software in the future. Online software discovery platforms, known as the Code Hub and the Code Catalog, are provided. The Code Hub is a collection of open-source MRE software that includes a landing page with search functionality, linked to files hosted on the MRE Code Hub GitHub organization. The Code Catalog is a searchable online platform for discovery of useful (open-source or commercial) software packages, tools, codes, and other software products. To gather information about the existing MRE software landscape, a software survey is being performed, the preliminary results of which are presented herein. Initially, the data collected in the MRE software survey will be used to populate the MRE Software knowledge hub on PRIMRE, and future work will use data from the survey to perform a gap analysis and develop a vision for future software development. Additionally, as one of PRIMRE's roles is to support development of MRE software within project partners, a silo of knowledge relating to best practices has been gathered. An early draft of new guidance developed from this knowledge is presented.

gap analysis↗

All Hands On Deck: Raising the Bar on Whole Building Performance-Based Code Compliance and Above-Code Programs

In 2019 a large-scale national effort was launched with support from U.S. Department of Energy, Pacific Northwest National Laboratory and Northwest Energy Efficiency Alliance (NEEA). The project aimed to develop a long-term vision and a roadmap for achieving a practical application of whole building performance-based code and above code program compliance in commercial buildings. The work was aided by engaging over 70 stakeholders across the country representing jurisdictions, above-code programs such as LEED and ENERGY STAR Multifamily Program, members of the ASHRAE Standard 90.1 and other Standard committees, IBPSA and software developers. The performance path requires whole building energy modeling and is gaining momentum. Many see it as the future of the commercial energy codes and the main pathway for achieving zero energy buildings. The paper describes the findings from a stakeholder survey funded by NEEA on the current state of performance-based path, its market penetration, trends, implementation practices and adoption challenges. It discusses the patterns revealed by experience of the states with decades-long history of performance-based compliance such as Florida and California and opportunities for taking advantage of the synergies between code and above-code programs. In addition, the paper provides an overview of the tools and resources developed as part of the effort including the compliance form for ASHRAE Standard 90.1 Section 11 and Appendix G, modeling submittal review manual, and modeler and reviewer qualification requirements. The tools and resources would help remove market barriers, deliver immediate benefits to jurisdictions and rating authorities, and achieve energy efficiency through whole-building performance path.

TSPR, Performance Based Complinace, Washington Sta↗

PIPER: Performance Insight for Programmers and Exascale Runtimes: Guiding the Development of the Exascale Software Stack

The PIPER project set out to develop methodologies and software for measurement, analysis, attribution, and presentation of performance data for extreme-scale systems. Goals of the project were to support analysis of massive multi-scale parallelism, heterogeneous architectures, multi-faceted performance concerns, and to support both post-mortem performance analysis to identify program features that contribute to problematic performance and on-line performance analysis to drive adaptation. This final report summarizes the research and development activity at Rice University as part of the PIPER project. Producing a complete suite of performance tools for exascale platforms during the course of this project was impossible since both hardware and software for exascale systems is still a moving target. For that reason, the project focused broadly on the development of new techniques for measurement and analysis of performance on modern parallel architectures, enhancements to HPCToolkit’s software infrastructure to support our research goals or use on sophisticated applications, engaging developers of multithreaded runtimes to explore how support for tools should be integrated into their designs, engaging operating system developers with feature requests for enhanced monitoring support, engaging vendors with requests that they add hardware measure- ment capabilities and software interfaces needed by tools as they design new components of HPC platforms including processors, accelerators and networks, and finally collaborations with partners interested in using HPCToolkit to analyze and tune scalable parallel applications.

97 MATHEMATICS AND COMPUTING↗

Charged particle track reconstruction with SπRIT Time Projection Chamber

In this work, we present a software framework, SπRITROOT, which is capable of track reconstruction and analysis of heavy-ion collision events recorded with the SRIT time projection chamber. The track-fitting toolkit GENFIT and the vertex reconstruction toolkit RAVE are applied to a box-type detector system. A pattern recognition algorithm which performs helix track finding and handles overlapping pulses is described. The performance of the software is investigated using experimental data obtained at the Radioactive Isotope Beam Facility (RIBF) at RIKEN. This work focuses on data from 132 Sn + 124 Sn collision events with beam energy of 270 AMeV. Particle identification is established using < dE/dx >and magnetic rigidity, with pions, hydrogen isotopes, and helium isotopes.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Evaluation of the Barracuda Software Package for Simulating Bubble Motion in Vibrating Liquid-Filled Containers

The commercial software package Barracuda, developed by CPFD Software for simulating particle-laden fluid flows, is evaluated as a means to simulate the motion of bubbles in vibrating liquid-filled containers. Demonstration simulations of bubbles rising due to buoyancy forces in a cylinder filled with silicone oil and angled at 0, 30, 45, and 60 degrees from the vertical were performed by CPFD Software. The results of these simulations are discussed, and the capabilities of Barracuda for simulating bubble motion are assessed. It was determined that at present Barracuda does not meet the needs of the desired application. Further developments that would enable its use for this application are highlighted.

42 ENGINEERING↗

Distributed data management on Belle II

The Belle II experiment started taking physics data in April 2018 with an estimated total volume of all files including raw events, Monte-Carlo and skim statistics of 340 petabytes expected by the end of operations in the late-2020s. Originally designed as a fully integrated component of the BelleDIRAC production system, the Belle II distributed data management (DDM) software needs to manage data across about 29 storage elements worldwide for a collaboration of nearly 1000 physicists. By late 2018, this software required significant performance improvements to meet the requirements of physics data taking and was seriously lacking in automation. Rucio, the DDM solution created by ATLAS, was an obvious alternative but required tight integration with BelleDIRAC and a seamless yet non-trivial migration. This contribution describes the work done on both DDM options, the current status of the software running successfully in production and the problems associated with trying to balance long-term operations cost against short term risk. .

97 MATHEMATICS AND COMPUTING↗