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At least 685 records · Page 38

US Muon Workshop 2021: A road map for a future Muon Facility

The workshop title “US Muon Workshop 2021: A road map for a future Muon Facility” was held virtually on February 1-2, 2021. The workshop aimed to bring together world experts in muon spectroscopy (µSR) and other techniques along with interested stakeholders to evaluate the scientific need to construct a new µSR facility in the United States (US). The more than 200 participants highlighted several key scientific areas for µSR research, including quantum materials, hydrogen chemistry, and battery materials, and how each area could benefit from a new, high flux pulsed muon source. Experts also discussed aspects of the µSR technique, such as low-energy µSR, novel software developments, alongside beam and detector technologies, that could enable revolutionary advances in µSR at a next-generation facility. The workshop concluded with discussion of a concept being developed for a new µSR facility at the Spallation Neutron Source (SNS) of Oak Ridge National Laboratory (ORNL). That novel design concept was first envisioned by many of the same µSR experts at a workshop held previously at ORNL in 2016. The participants expressed that the current design had the potential to be a world-leading µSR facility, and strongly encouraged the principal investigators to continue their work in order to refine the concept and determine instrument parameters that would enable new scientific opportunities.

36 MATERIALS SCIENCE↗

Design and Performance of Kokkos Staging Space toward Scalable Resilient Application Couplings

With the growing number of applications designed for heterogeneous HPC devices, application programmers and users are finding it challenging to compose scalable workflows as ensembles of these applications, that are portable, performant and resilient. The Kokkos C++ library has been designed to simplify this cumbersome procedure by providing an intra-application uniform programming model and portable performance. However, assembling multiple Kokkos-enabled applications into a complex workflow is still a challenge. Although Kokkos enables a uniform programming model, the inter-application data exchange still remains a challenge from both performance and software development cost perspectives. In order to address this issue, we propose Kokkos data staging memory space, an extension of Kokkos' data abstraction (memory space) for heterogeneous computing systems. This new abstraction allows to express data on a virtual shared-space for multiple Kokkos applications, thus extending Kokkos to support inter-application data exchange to build an efficient application workflow. Additionally, we study the effectiveness of asynchronous data layout conversions for applications requiring different memory access patterns for the shared data. Our preliminary evaluation with a synthetic benchmark indicate the effectiveness of this conversion adapted to three different scenarios representing access frequency and use patterns of the shared data.

97 MATHEMATICS AND COMPUTING↗

Safety Applications Project FY20-21 Highlights, FY2022 Goals [Slides]

Collaborations leverage the investment and expertise of others. Code capabilities determine the questions that can be addressed using SAP tools. Infrastructure acts as a force multiplier for software developer skills. Improved code performance allows simulations to finish faster or with greater fidelity. Code performance has dramatically improved over the past ~4 years.

42 ENGINEERING↗

Safety Applications Project FY18-19 Highlights, FY2020 Goals [Slides]

Collaborations leverage the investment and expertise of others. Code capabilities determine the questions that can be addressed using SAP tools. Infrastructure acts as a force multiplier for software developer skills. Improved code performance allows simulations to finish faster or with greater fidelity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Santa Barbara Desalination Digital Twin Technical Report

A digital twin is a computer model that has sufficient breadth and fidelity to enable diagnostic and predictive analyses for outputs of interest. We have constructed a digital twin of the SB desal plant using the ProteusLib software developed for NAWI under task 4.2.2, and specifically the ProteusLib models of pumps, filters, mixers, splitters, and reverse osmosis units and a seawater property model. The steps needed to configure this digital twin with the real conditions of the SB desal plant are: (1) Data reconciliation, which is gathering the data and plant connectivity and ensure that all relevant values are present and in the correct units and validating the data using material and energy balances, and correct for errors, gaps, or deviations; (2) Parameter estimation, which is matching model parameters with data from previous step, filling missing parameters with initial estimates, then iteratively refining estimated values. Once we completed the digital twin, we used the optimization capabilities of ProteusLib to compute outputs of interest over a chosen range of inputs. The primary output of interest to the owners of the plant is its specific energy consumption (kWh/acre-foot). The remainder of this report will provide more detail on the data reconciliation, parameter estimation, and analyses we performed.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Developing Bloom Filters for Web Archives’ Holdings (Final Project Report)

The main goal of the project was to develop a framework for web archives to create Bloom filters based on their holdings of archived web resources. A Bloom filter (BF) is a data structure that, in our scenario, contains hash values of all (or a subset of) URLs, of which an archive has one or more archival copies. Two main use cases fall in scope for this project and are supported by a BF implementation: 1) Sharing of an archive’s holdings (URLs) and 2) Querying the holdings of one or more archives. Since URL strings are hashed before ingested into the BF, the index of an archive is not shared in plain text when the BF is shared with trusted parties. On the other hand, a BF implementation does allow queries for a URL to confirm if an archive indeed has one or more archival copies of that URL. This collaborative project between Los Alamos National Laboratory (LANL) and the Croatian Web Archive (HAW), from the National and University Library in Zagreb (NSK), developed by NSK and University of Zagreb University Computing Center SRCE), aimed at developing software to create BFs, evaluate the scalability of the approach, pilot a search service based on BFs, and design a framework for archives to share their filters with trusted parties. In the remainder of this document, we will report on the work completed with respect to the individual deliverables, outline aspects of future work, and conclude with our recommendations for the use of BFs for the web archiving community.

97 MATHEMATICS AND COMPUTING↗

AniMACCS User Guide

This SAND Report provides an overview of AniMACCS, the animation software developed for the MELCOR Accident Consequence Code System (MACCS). It details what users need to know in order to successfully generate animations from MACCS results. It also includes information on the capabilities, requirements, testing, limitations, input settings, and problem reporting instructions for AniMACCS version 1.3.1. Supporting information is provided in the appendices, such as guidance on required input files using both WinMACCS and running MACCS from the command line.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

2021 Consequence Management Hotline Drill After Action Report

In March 2021, a functional area drill was held at the Remote Sensing Laboratory–Nellis that focused on using CBRNResponder and the Digital Field Monitoring (DFM) tablets for sample hotline operations and the new paper Sample Control Forms (SCFs) for sample collection. Participants included staff trained and billeted as sample control specialists and Consequence Management Response Team (CMRT) field monitoring personnel. Teams were able to successfully gather and transfer samples to the sample control hotline staff through the manual process, though there were several noted areas for improvement. In July and October 2021, two additional functional area drills were held at Sandia National Laboratories that focused on field sample collection and custody transfer at the sample control hotline for the Consequence Management (CM) Radiological Assistance Program (RAP) program. The overarching goal of the drills was to evaluate the current CM process for sample collection, sample drop off, and sample control using the CBRNResponder mobile and web-based applications. The July 2021 drill had an additional focus to have a subset of samples analyzed by the local analytical laboratory, Radiation Protection Sample Diagnostics (RPSD) laboratory, to evaluate the Laboratory Access portal on CBRNResponder. All three drills were able to accomplish their objectives however, there were several issues noted (Observations: 25 Urgent, 29 Important, and 22 Improvement Opportunities). The observations were prioritized according to their impact on the mission as well as categorized to align with the programmatic functional area required to address the issue. This report provides additional detail on each observation for skillset/program leads and software developers to consider for future improvement or mandatory efforts.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Engage second wave ECP/CEED applications

The CEED co-design center aims to impact a wide range of ECP application teams through focused 1-to-1 and 1-to many interactions, facilitated by CEED application liaisons, ultimately targeted to provide easy-to-use discretization libraries for high-order FEM-based application simulations. The goal of this milestone was to extend our reach by identifying a second wave of ECP applications that can benefit from the efficient discretization algorithms and software developed in CEED. These applications were added to the list of the CEED first wave ECP applications (ExaSMR and MARBL), which continue to be main targets for our work. As part of the milestone, we also appointed liaisons on the CEED team that will be responsible for engaging each application, identifying its challenging discretization needs, and outlining a plan for interaction with CEED. Working with all CEED thrusts, the liaisons will be ultimately responsible for ensuring the adoption of CEED technologies in each application as well as for demonstrating their benefits. The selected second wave applications and CEED liaisons are: Urban - liaison Aleks Obabko (ANL), ExaWind - liaison Paul Fischer (UIUC), and ExaAM - liaison Tzanio Kolev (LLNL). In addition to details and results from these efforts, in this document we report on other project-wide activities performed in Q1 of FY19, including: engagements with performing scaling on V100 GPUs, collaboration with ECP/MPICH, participation in ECP/ST’s E4S release, the Laghos-2.0 release, papers, presentations, and other outreach efforts.

97 MATHEMATICS AND COMPUTING↗

SIERRA Low Mach Module: Fuego Theory Manual (V.5.2)

The SIERRA Low Mach Module: Fuego, henceforth referred to as Fuego, is the key element of the ASC fire environment simulation project. The fire environment simulation project is directed at characterizing both open large-scale pool fires and building enclosure fires. Fuego represents the turbulent, buoyantly-driven incompressible flow, heat transfer, mass transfer, combustion, soot, and absorption coefficient model portion of the simulation software. Using MPMD coupling, Scefire and Nalu handle the participating-media thermal radiation mechanics. This project is an integral part of the SIERRA multi-mechanics software development project. Fuego depends heavily upon the core architecture developments provided by SIERRA for massively parallel computing, solution adaptivity, and mechanics coupling on unstructured grids.

97 MATHEMATICS AND COMPUTING↗

SIERRA Low Mach Module: Fuego Verification Manual (V.5.2)

The SIERRA Low Mach Module: Fuego, henceforth referred to as Fuego, is the key element of the ASC re environment simulation project. The fire environment simulation project is directed at characterizing both open large-scale pool fires and building enclosure fires. Fuego represents the turbulent, buoyantly-driven incompressible flow, heat transfer, mass transfer, combustion, soot, and absorption coefficient model portion of the simulation software. Using MPMD coupling, Scefire and Nalu handle the participating-media thermal radiation mechanics. This project is an integral part of the SIERRA multi-mechanics software development project. Fuego depends heavily upon the core architecture developments provided by SIERRA for massively parallel computing, solution adaptivity, and mechanics coupling on unstructured grids.

97 MATHEMATICS AND COMPUTING↗

SIERRA Low Mach Module: Fuego User Manual (V.5.2)

The SIERRA Low Mach Module: Fuego, henceforth referred to as Fuego, is the key element of the ASC fire environment simulation project. The fire environment simulation project is directed at characterizing both open large-scale pool fires and building enclosure fires. Fuego represents the turbulent, buoyantly-driven incompressible flow, heat transfer, mass transfer, combustion, soot, and absorption coefficient model portion of the simulation software. Using MPMD coupling, Scefire and Nalu handle the participating-media thermal radiation mechanics. This project is an integral part of the SIERRA multi-mechanics software development project. Fuego depends heavily upon the core architecture developments provided by SIERRA for massively parallel computing, solution adaptivity, and mechanics coupling on unstructured grids.

97 MATHEMATICS AND COMPUTING↗

SIERRA Low Mach Module: Fuego Verification Manual (V.5.4)

The SIERRA Low Mach Module: Fuego, henceforth referred to as Fuego, is the key element of the ASC re environment simulation project. The fire environment simulation project is directed at characterizing both open large-scale pool fires and building enclosure fires. Fuego represents the turbulent, buoyantly-driven incompressible flow, heat transfer, mass transfer, combustion, soot, and absorption coefficient model portion of the simulation software. Using MPMD coupling, Scefire and Nalu handle the participating-media thermal radiation mechanics. This project is an integral part of the SIERRA multi-mechanics software development project. Fuego depends heavily upon the core architecture developments provided by SIERRA for massively parallel computing, solution adaptivity, and mechanics coupling on unstructured grids.

97 MATHEMATICS AND COMPUTING↗

SIERRA Low Mach Module: Fuego Theory Manual (V.5.4)

The SIERRA Low Mach Module: Fuego, henceforth referred to as Fuego, is the key element of the ASC fire environment simulation project. The fire environment simulation project is directed at characterizing both open large-scale pool fires and building enclosure fires. Fuego represents the turbulent, buoyantly-driven incompressible flow, heat transfer, mass transfer, combustion, soot, and absorption coefficient model portion of the simulation software. Using MPMD coupling, Scefire and Nalu handle the participating-media thermal radiation mechanics. This project is an integral part of the SIERRA multi-mechanics software development project. Fuego depends heavily upon the core architecture developments provided by SIERRA for massively parallel computing, solution adaptivity, and mechanics coupling on unstructured grids.

97 MATHEMATICS AND COMPUTING↗

SIERRA Low Mach Module: Fuego User Manual (V.5.4)

The SIERRA Low Mach Module: Fuego, henceforth referred to as Fuego, is the key element of the ASC fire environment simulation project. The fire environment simulation project is directed at characterizing both open large-scale pool fires and building enclosure fires. Fuego represents the turbulent, buoyantly-driven incompressible flow, heat transfer, mass transfer, combustion, soot, and absorption coefficient model portion of the simulation software. Using MPMD coupling, Scefire and Nalu handle the participating-media thermal radiation mechanics. This project is an integral part of the SIERRA multi-mechanics software development project. Fuego depends heavily upon the core architecture developments provided by SIERRA for massively parallel computing, solution adaptivity, and mechanics coupling on unstructured grids.

97 MATHEMATICS AND COMPUTING↗

SIERRA Low Mach Module: Fuego Verification Manual - (V.5.6)

The SIERRA Low Mach Module: Fuego, henceforth referred to as Fuego, is the key element of the ASC fire environment simulation project. The fire environment simulation project is directed at characterizing both open large-scale pool fires and building enclosure fires. Fuego represents the turbulent, buoyantly-driven incompressible ow, heat transfer, mass transfer, combustion, soot, and absorption coefficient model portion of the simulation software. Using MPMD coupling, Scefire and Nalu handle the participating-media thermal radiation mechanics. This project is an integral part of the SIERRA multi-mechanics software development project. Fuego depends heavily upon the core architecture developments provided by SIERRA for massively parallel computing, solution adaptivity, and mechanics coupling on unstructured grids.

54 ENVIRONMENTAL SCIENCES↗

SIERRA Low Mach Module: Fuego Theory Manual (V.5.6)

The SIERRA Low Mach Module: Fuego, henceforth referred to as Fuego, is the key element of the ASC fire environment simulation project. The fire environment simulation project is directed at characterizing both open large-scale pool fires and building enclosure fires. Fuego represents the turbulent, buoyantly-driven incompressible ow, heat transfer, mass transfer, combustion, soot, and absorption coefficient model portion of the simulation software. Using MPMD coupling, Scefire and Nalu handle the participating-media thermal radiation mechanics. This project is an integral part of the SIERRA multi-mechanics software development project. Fuego depends heavily upon the core architecture developments provided by SIERRA for massively parallel computing, solution adaptivity, and mechanics coupling on unstructured grids.

54 ENVIRONMENTAL SCIENCES↗

SIERRA Low Mach Module: Fuego User Manual (V.5.6)

The SIERRA Low Mach Module: Fuego, henceforth referred to as Fuego, is the key element of the ASC fire environment simulation project. The fire environment simulation project is directed at characterizing both open large-scale pool fires and building enclosure fires. Fuego represents the turbulent, buoyantly-driven incompressible flow, heat transfer, mass transfer, combustion, soot, and absorption coefficient model portion of the simulation software. Using MPMD coupling, Scefire and Nalu handle the participating-media thermal radiation mechanics. This project is an integral part of the SIERRA multi-mechanics software development project. Fuego depends heavily upon the core architecture developments provided by SIERRA for massively parallel computing, solution adaptivity, and mechanics coupling on unstructured grids.

42 ENGINEERING↗