Mesh Generation and Design in COMPASS [PowerPoint]
The presentation was intended as a tutorial for the COSIM seminar series to illustrate steps in mess generation for MPAS in COMPASS.
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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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2020 Exascale Computing Project Annual Meeting (Executive Summary Report)
The Exascale Computing Project (ECP) delivers specific applications, software products, and outcomes on DOE computing facilities. Integration across these elements for specific hardware technologies for exascale system instantiations is fundamental to ECP success. The outcome of the ECP is the delivery of a capable exascale computing ecosystem to provide breakthrough solutions addressing our most critical challenges in scientific discovery, energy assurance, economic competitiveness, and national security. This outcome is not a matter of ensuring more powerful computing systems. The ECP is designed to create more valuable and rapid insights from a wide variety of applications (“capable”), which requires a much higher level of inherent efficacy in all methods, software tools, and ECP-enabled computing technologies to be acquired by DOE laboratories (“ecosystem”). The ECP annual meeting provides a unique opportunity for the core technical expertise in the United States focused on achieving this next plateau of computational science and computing performance to engage in direct discussions on project execution. Face-to-face gatherings in technical communities like this are common and needed for the exchange of scientific ideas and technical performance. The ECP annual meeting stands apart from other technical conferences and meetings in the computing community as it is uniquely and solely focused on the execution of the ECP and the integration of technical activities leading to the creation of the exascale computing ecosystem for the future. The direct interaction of key critical technical staff, who are leaders in their respective fields, and the resulting give-and-take between software, applications, and hardware and the technical co-design therein, is unique and essential to the effective execution of the ECP. The first annual meeting was held in Knoxville, Tennessee, January 31 – February 2, 2017 and brought together, for the first time, a diverse collection of researchers from 16 DOE national laboratories as well as university computer and computational science researchers to discuss shared problems and joint solutions for the development of a capable exascale computing ecosystem. These interactions resulted in focused technical plans and an energized community centered on advances for ECP. The second annual meeting was held in Knoxville, Tennessee, February 5–9, 2018. It included 643 individual thought leaders and performers in application development, software research and deployment, and hardware research and integrators, all of whom are part of the multifaceted, billion dollar HPC community. This meeting provided a platform to discuss and disseminate numerous examples where researchers with common goals and synergistic solutions came together for the first time to deliver tangible results. Additionally, at the 2018 meeting, ECP researchers had the opportunity to digest all US HPC vendor R&D product roadmaps pointing to exascale – not only to learn how their research can play a role, but, more importantly, to influence those roadmaps to ensure successful delivery on DOE applications that will contribute to (if not solve) problems of national interest in national security, science, energy, and health, as well as growing security threats. The third annual meeting was held in Houston, Texas, January 14–17, 2019. With a 19% increase in the number of registrations (768 people), and the change in location, the third annual meeting was considered the most impactful of the three at the time. The new website provided a better platform for the dissemination of the content, the new venue as a meeting hotel instead of a conference center facilitated interactions and discussions after event hours, and the addition of an award-winning mobile event conference app (Whova) transformed dramatically the attendee experience at the event. This fourth annual meeting was held in Houston, Texas, February 3-7, 2020. This meeting had an increase in the number of attendees for a total of 824 people registered (782 attendees) and included numerous enhancements based on feedback and lessons learned from previous meetings, some of which are listed here: Improved quality of the sessions, their material and the whole program.; Had more industry participation and addition of external collaborators from overseas.; Published the full agenda earlier to better accommodate attendance and travel plans based on schedule.; Centralized all sessions in one venue.; Provided additional hotels and room blocks for the attendees.; Improved communication with the audience (links, material, directions, notifications, etc.) to go paperless.; Enhanced side meeting scheduling, management and user experience.; Made available additional space and tables for impromptu meetings and side discussions.; Improved IT and A/V solutions for speakers. In addition, our final survey captured the following points as opportunities for improvement in future meetings: consider a different meeting location that is more pedestrian friendly, reduce talks during working meals to allow more collaboration and informal time, adapt the agenda to acknowledge attendees from different timezones, consider recording some of the tutorials and/or sessions to share broadly with the HPC community, have a larger poster room, provide additional power strips, and improve the WiFi.
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Introduction to FLAG
The following guide is a tutorial-style introduction to the free Lagrange (FLAG) hydrocode for anyone who wants to get started with or learn more about FLAG.
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How Use Cases Drove the Design of the HELICS Co-Simulation Framework [Slides]
This presentation is part of a series of mini-tutorials around the Hierarchical Engine for Large-scale Infrastructure Co-Simulation (HELICS). It takes an historic look at how an initial set of use cases drove the design of the HELICS platform.
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Xyce Parallel Electronic Simulator Reference Guide (Version 7.2)
This document is a reference guide to the Xyce Parallel Electronic Simulator, and is a companion document to the Xyce Users Guide. The focus of this document is (to the extent possible) exhaustively list device parameters, solver options, parser options, and other usage details of Xyce. This document is not intended to be a tutorial. Users who are new to circuit simulation are better served by the Xyce Users Guide.
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HyRAM V2.0 User Guide
Hydrogen Risk Assessment Models (HyRAM) is a software toolkit that provides a basis for quantitative risk assessment and consequence modeling for hydrogen infrastructure and transportation systems. HyRAM integrates validated, analytical models of hydrogen behavior, statistics, and a standardized QRA approach to generate useful, repeatable data for the safety analysis of various hydrogen systems. HyRAM is a software developed by Sandia National Laboratories for the U.S. Department of Energy. This document demonstrates how to use HyRAM to recreate a hydrogen system and obtain relevant data regarding potential risk. Specific examples are utilized throughout this document, providing detailed tutorials of HyRAM features with respect to hydrogen system safety analysis and risk assessment.
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Documented Kokkos API: WBS STPR 04 Milestone 13
This report documents the completion of milestone STPRO4-13 "Documented Kokkos API", which is part of the Exascale Computing Project (ECP). The goal of this Milestone was to generate documentation for the Kokkos programming model accessible to the open HPC community, beyond what was available via the tutorials. The total documentation for Kokkos now contains the equivalent of about 250 pages in text book format. About a third of it is contained in a more text book like style like the Kokkos Programming Guide, while most of the rest is an API reference modelled after popular C++ reference webpages. On the order of 175 pages was generated new as part of the work for this milestone.
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Xyce Parallel Electronic Simulator Reference Guide (V.7.1)
This document is a reference guide to the Xyce Parallel Electronic Simulator, and is a companion document to the Xyce Users' Guide. The focus of this document is (to the extent possible) exhaustively list device parameters, solver options, parser options, and other usage details of Xyce. This document is not intended to be a tutorial. Users who are new to circuit simulation are better served by the Xyce Users' Guide.
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Challenge and opportunity in remote epitaxy
The tutorial focuses on the fundamentals and applications of heterogeneously integrated structures using 1D, 2D, and 3D materials from the growth of 3D materials on 2D materials, and various lift-off technologies to heterogeneous integration of electronic/optoelectronic devices.
Kim, Jeehwan↗
Burning Plasma Science: Long Pulse-Materials and Fusion Nuclear Science (Final Project Report)
The series of International Conferences on Fusion Reactor Materials (ICFRM) has been established nearly forty years ago as the major international forum for exchanging and archiving a growing knowledge based on the development of materials for both near and long-term fusion energy systems. The critical role of materials science and engineering in overcoming the technological challenges to making fusion energy a practical reality has been an overarching theme of invited and contributed oral talks as well as the poster session presentations. ICFRM is the premier international forum connecting specialists in the area of development of materials for both near and longer-term fusion energy systems. A central theme is the sharing of new insights, cutting-edge research, and technology in materials science pertaining to the realization of fusion energy. The conference consists of daily overview plenary lectures, invited and contributed oral presentations, and a series of technical poster sessions. In addition to hosted satellite meetings, pre-conference technical tutorials, and stimulating discussions. The 19th International Conference on Fusion Reactor Materials (ICFRM-19) was held in La Jolla, California, U.S.A. during the period October 27 through November 1, 2019. We describe here the conference background, topics, structure, program, schedule and timeline, publications, venue, satellite meetings, short courses and seminars, and finally the budget and expenses.
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MACCS Theory Manual
This report describes the models of the MACCS computer code as presented in MACCS Version 3.10.0. The purpose of MACCS is to simulate the impact of severe accidents at nuclear power plants on the surrounding environment. MACCS has been developed by Sandia National Laboratories for the U.S. Nuclear Regulatory Commission. From a given release of radioactive material into the atmosphere, MACCS estimates the extent and magnitude of radiological contamination, offsite doses, protective actions, socioeconomic impacts and costs, and health effects. Since the weather at the time of an accident is not predictable, MACCS supports various sampling options to run a representative set of simulations to evaluate weather variability. MACCS simulates atmospheric transport with a straight-line Gaussian plume segment model. From the estimated air and ground concentrations, MACCS models dose projections through several dose exposure pathways. These exposures can be offset by protective actions during the emergency response and long-term recovery of the accident. MACCS users directly specify the evacuation and sheltering area, while other protective actions (e.g., relocation, farmland restrictions, decontamination) are based on user-specified dose or concentration limits. While protective actions help reduce dose accumulation, they also cause social and economic impacts. MACCS models the extent of displaced individuals and land contamination, and the cost of offsite property damage, economic disruptions, and various accident expenditures caused by protective actions. Finally, from the dose accumulation, MACCS estimates early and stochastic health effects according to dose-response models. The purpose of consequence analyses is to be able to understand and estimate the impact of nuclear accidents. Consequence analysis is an essential tool to inform determinations of adequate protection of the public, to understand nuclear power hazards, to measure the value of regulations, and to help us appreciate the importance of nuclear safety. As such, MACCS has a variety of regulatory uses including environmental analyses (10 CFR 51.53, 52.47), regulatory cost-benefit analyses, backfit analyses (10 CFR 50.109), consequence analysis studies such as SOARCA (NUREG-1935), Level 3 PRA studies, and risk-informing of emergency planning (10 CFR 50 App. E and 50.47). This report updates the previous MACCS theory manual (NUREG/CR-4691 Vol. 2; Chanin, Sprung, Ritchie, & Jow, 1990) and accompanies the MACCS User's Guide (SAND-2021-1588) that describes the use and input requirements of the graphical user interface of MACCS known as WinMACCS. The MACCS User's Guide is also a reference guide that describes data input file formats, describes various software components in the MACCS code suite, and provides a set of example tutorials for running WinMACCS. Also, soon to be published is a MACCS input parameter guidance report (NUREG/CR-7270) that provides technical bases for commonly used MACCS input values. This page left blank
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Xyce™ Parallel Electronic Simulator Reference Guide, Version 7.3
This document is a reference guide to the Xyce Parallel Electronic Simulator, and is a companion document to the Xyce Users' Guide. The focus of this document is (to the extent possible) exhaustively list device parameters, solver options, parser options, and other usage details of Xyce. This document is not intended to be a tutorial. Users who are new to circuit simulation are better served by the Xyce Users' Guide.
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Xyce™ Parallel Electronic Simulator Reference Guide (V.7.4)
This document is a reference guide to the Xyce Parallel Electronic Simulator, and is a companion document to the Xyce Users' Guide. The focus of this document is (to the extent possible) exhaustively list device parameters, solver options, parser options, and other usage details of Xyce. This document is not intended to be a tutorial. Users who are new to circuit simulation are better served by the Xyce Users' Guide.
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Xyce™ Parallel Electronic Simulator Reference Guide, Version 7.5
This document is a reference guide to the Xyce Parallel Electronic Simulator, and is a companion document to the Xyce Users' Guide. The focus of this document is (to the extent possible) exhaustively list device parameters, solver options, parser options, and other usage details of Xyce. This document is not intended to be a tutorial. Users who are new to circuit simulation are better served by the Xyce Users' Guide.
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Preparing Equal Superpositions of n Computational-Basis States
This document presents, tutorial-style, a sequence of quantum circuits for preparing 3-qubit quantum states that are superpositions of 2, 3, . . . , 8 computational-basis states. Each circuit is accompanied by a timeline illustration of the evolution of the state from |000> to the target state.
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Xyce™ Parallel Electronic Simulator Reference Guide (V.7.6)
This document is a reference guide to the Xyce™ Parallel Electronic Simulator, and is a companion document to the Xyce™ Users' Guide. The focus of this document is (to the extent possible) exhaustively list device parameters, solver options, parser options, and other usage details of Xyce™. This document is not intended to be a tutorial. Users who are new to circuit simulation are better served by the Xyce™ Users' Guide.
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2022 American Conference on Neutron Scattering (ACNS 2022)
The 11th American Conference on Neutron Scattering (ACNS 2022) will be held on June 5-9, 2022, in Boulder, CO. The Conference will provide essential information on the breadth and depth of current neutron-related research worldwide. Hosted by the Neutron Scattering Society of America, this year’s Conference will feature a combination of invited and contributed talks, poster sessions, and tutorials. Topics of the conference are: Advances in Neutron Facilities, Instrumentation and Software: Developments in sources, instrumentation, sample environments and control software. Hard Condensed Matter: Magnetism, correlated metals, quantum/topological materials, superconductors, ferroelectrics, multiferroics, glasses, and disorder phenomena. Submissions outlining examples of neutron scattering in industrial and engineering applications involving hard condensed matter systems are also encouraged. Soft Matter: Neutron studies of soft materials and related fields including in situ and in operando studies. Polymers, surfactants, emulsions, gels, nanoparticles, colloidal suspensions and more. Submissions of computational studies or applications of machine learning beneficial to neutron scattering experiments, as well as examples of neutron scattering in industrial and engineering applications are strongly encouraged. Biology, Biophysics and Biotechnology: Neutron studies of biological and biologically relevant systems. Proteins, bio membranes, biological assemblies, natural materials, nucleic acids, drug-delivery platforms and biomedical systems. Submissions of computational studies or applications of machine learning beneficial to biological neutron scattering experiments, as well as examples of neutron scattering in applied research involving biological systems, are strongly encouraged. Materials Chemistry and Energy: Neutron-based studies of functional materials and materials for energy applications. Examples include porous materials such as metal organic frameworks (MOFs), zeolites; phosphors; novel pigments; electrolytes; catalysts; ionic conductors/cathode materials; photovoltaic materials (hybrid perovskites); thermoelectrics; magnetocalorics/electrocalorics. Structural Materials and Engineering: Neutron scattering studies of materials and engineering processes including structural materials, concrete and metals, as well as engineering processes including combustion, corrosion, additive manufacturing, and others. Neutron Physics: Fundamental physical studies of the neutron and related areas. Emerging Applications in Neutron Scattering: Machine Learning and Data Science: Advances in computing power have contributed to rapidly evolving machine learning and data science fields that can be leveraged to the benefit of the neutron scattering community. The purpose of this session is to highlight recent advances in machine learning and data science and to serve as the foundation of a parallel data and computation track highlighting computation advances and applications in neutron scattering throughout the conference.
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Design of a Cryogenic Scintillation Neutrino Detector at the Spallation Neutron Source
We successfully verified in the following three aspects the feasibility of using a cryogenic scintillating crystal-based neutrino detector at the Spallation Neutron Source (SNS), Oak Ridge National Laboratory, for the detection of low-mass dark matter particles and non-standard neutrino interactions (NSIs), as part of the detector R&D effort of the COHERENT experiment. First, we demonstrated the possibility of using silicon photomultipliers (SiPMs) at cryogenic temperatures to replace traditional photomultiplier tubes (PMTs) as light sensors. Second, we verified that the high light yield of undoped CsI crystals measured above 13 keVee at 77 K still holds down to 5.9 keVee. Third, we successfully measured nuclear quenching factor of undoped cryogenic CsI at the Triangle Universities Nuclear Laboratory with the help from our Duke collaborators. The first achievement resulted in a publication in European Physics Journal C. The second resulted in an arXiv pre-print, which is under journal review. The last one indicates that the performance of the proposed detector may be better than what was assumed in the literature. The analysis is in the final stage and will result in another journal publication. In addition, two graduate students involved in this project graduated with master’s degrees during the project period. Both decided to continue their research as PhD students. One open-source data analysis code package was created and is publicly available on GitHub. A set of tutorials about Monte Carlo simulation of radiation interacting with detectors were created on YouTube, receiving more than 100,000 views.
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