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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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At least 721 records · Page 40

Convex Relaxations in Power System Optimization, A Brief Introduction

Convex relaxations of the AC power ow equations have attracted signi cant interest in the power systems research community in recent years. The following collection of video lectures provides a brief introduction to the mathematics of AC power systems, continuous nonlinear optimization, and relaxations of the power ow equations. The aim of the videos is to provide the high level ideas of convex relaxations and their applications in power system optimization, and could be used as a starting point for researchers who want to study, use or develop new convex relaxations for use in their own research. The videos do not aim to provide an in-depth tutorial about speci c convex relaxations, but rather focus on ideas that are common to all convex relaxations of the AC optimal power ow problem. The videos assume minimal prerequisite knowledge and are designed to be accessible to a variety of disciplines (e.g. power system engineers, industrial engineers and computer scientists). They are designed to be modular, such that interested listeners can either watch the series as a whole, or choose only the subset that matches their interest. The following sections provide a brief overview of the topics and references covered in each video.

97 MATHEMATICS AND COMPUTING↗

RAVEN User Guide

The goal of this document is to provide a set of detailed examples that can help the user to become familiar with the RAVEN code. RAVEN is capable of investigating system response and explore input space using various sampling schemes such as Monte Carlo, grid, or Latin Hypercube. How- ever, RAVEN strength lies in its system feature discovery capabilities such as: constructing limit surfaces, separating regions of the input space leading to system failure, and using dynamic super- vised learning techniques. New users should consult the RAVEN Tutorial to get started.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

4th Kokkos Bootcamp [Poster]

Scope and Objectives: Kokkos Support provides cyber resources and conducts training events for current and prospective Kokkos users; In person training events are organized in various venues providing both generic Kokkos tutorials with lectures and exercises, as well as hands-on work on users applications.

97 MATHEMATICS AND COMPUTING↗

Xyce Parallel Electronic Simulator Reference Guide Version 6.10

This document is a reference guide to the Xyce Parallel Electronic Simulator, and is a companion document to the Xyce Users' Guid [1] . 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.

97 MATHEMATICS AND COMPUTING↗

Bison Documentation Update, NEAMS Fuels Product Line Review Meeting

A brief overview of the status of the Bison documentation system is given. The Bison documentation system, which is built using the MOOSEDocs capability, has undergone significant development in the last two years to create a flexible, unified, and comprehensive documentation source for the Bison code. This documentation system, which is both hosted online (INL/MIS-18-50577) and can be built locally, integrates the older separate Bison user and theory manuals into a single format. The development of the documentation system, which is still ongoing, has three main objectives: improved step-by-step tutorial and workshop instructions for new users, implementation of detailed theory and input file information on a single page for each class, and increased accessibility of the documentation information. The progress and future work on these three objectives is reviewed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

mystic - a brief introduction

The mystic framework enables the solving of difficult optimization problems through three major innovations: (1) plug-and-play component-based optimization algorithms, (2) the ability to dynamically construct and apply generalzed trnasforms, K , where x' = K(x) , and (3) workflows providing asynchronous execution and statefulness. These features, in conjunction with supporting packages pathos , pyina , and klepto , can provide massively-parallel scalable workflows for quickly solving optimization problems in complex nonlinear spaces. mystic can be used to simplify non-convex optimization problems by transforming away nonlinearities through user-built kernel transforms. This tutorial demonstrates using mystic for machine learning with automated dimensional-reduction, using embarrasingly parallel solver ensembles to find an accurate interpolated surrogate for a nonlinear surface, and the determination of worst-case bounds on expectation value of an objective function under uncertainty.

97 MATHEMATICS AND COMPUTING↗

Xyce TM Parallel Electronic Simulator Reference Guide, Version 6.3

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.

97 MATHEMATICS AND COMPUTING↗

A harmonic balance method for PDEs

In this report, we describe some approaches to calculate the non-linear system of equations prescribed by the harmonic balance method (HB), a frequency domain analysis technique for modelling a non-linear system of partial differential equations (PDEs). The approach which we ultimately pursue can be seen as a time-collocation approach, except that the harmonic balance equations are obtained weakly (in the sense used in the calculus of variations). This weak formulation allows us to adapt existing transient or stationary PDEs models in the Panzer/Trilinos framework for frequency domain analysis via the harmonic balance method. We begin with a motivatation for the harmonic balance method and outline its mathematical formulation. We then describe some approaches to calculate the harmonic balance formulae, and their means of implementation through the modification of a Panzer tutorial problem - a stationary Helmholtz equation with a constant Dirichlet boundary condition and a non-linear source. For each of these approaches, we outline the necessary adaptations to solve the corresponding (periodically) transient Helmholtz equation with a (temporally) periodic Dirichlet boundary condition and non-linear source.

97 MATHEMATICS AND COMPUTING↗

Updated status of the ART neutronic fast reactor tools integration to the NEAMS Workbench

The Workbench initiative was launched in FY-2017 within the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Integration Product Line to facilitate the transition from conventional tools to high-fidelity tools. The Workbench provides a common user interface for model creation, real-time validation, execution, output processing, and visualization for integrated codes. The integration of the Argonne Reactor Computation (ARC) suite of codes into the NEAMS Workbench was initiated in FY-2017. The ARC codes contain both legacy codes like DIF3D and REBUS-3 that were developed with over 30 years of experience, and newer NEAMS additions like MC 2 -3 and PERSENT. The ARC integration into the NEAMS Workbench interface relies on the PyARC module which handles the pre- and post-processing of the native ARC codes input, and the runtime environment. The PyARC module together with the NEAMS Workbench interface are both released under Open Source Software licenses. This report describes the ARC capabilities available with the Workbench at the end of FY-2018, and a tutorial is provided together with the automatically-generated code documentation. Integrating the ARC codes into the Workbench benefits directly the Advanced Reactor Technology (ART) Campaign by providing a set of controlled, maintained and validated scripts to generate ARC inputs, which promotes best practices, reduces the learning curve, and facilitates project collaboration. The second benefit from this project is to improve the user experience with the ARC codes: the Workbench interface provides assistance for building an input through auto-completion, real-time validation, access to templates, and visualization. Finally, the ARC integration into the NEAMS Workbench enables new modeling capabilities, those will be extremely useful for advanced reactor design and analyses. The PyARC module facilitates and automatizes complex calculations and workflows for reactor analysis enabling geometrical perturbations, cross-section update through depletion, etc. The Dakota/PyARC coupling in the Workbench was also demonstrated to enable mathematical optimization and sensitivity analysis/uncertainty quantification (SA/UQ) techniques with ARC neutronic simulations. For demonstration purposes, the ARC codes were used through the Workbench for solving the Sodium-cooled Fast Reactor Uncertainty Analysis in Modelling (SFR-UAM) benchmark problems. The ARC codes are currently used at ANL through the Workbench by nuclear engineers for SFR core design analyses. Future efforts will focus on continuously adding modeling capabilities available with the ARC codes, training new users to continue building some experience, and on integrating high-fidelity codes such as PROTEUS into the Workbench.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

HyRAM V1.1 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.

08 HYDROGEN↗

Support for the 2018 Advanced Accelerator Concepts Workshop (Final Report)

We organized the 18th Advanced Accelerator Concepts (AAC18) Workshop at the Beaver Run Resort and Conference Center in Breckenridge, Colorado on August 12–17, 2018. AAC18 was organized under the sponsorship of the IEEE Council on Superconductivity and managed under the supervision of IEEE 2018 Advanced Accelerator Conference Committee. Workshop day-to-day management, including financial, was handled by a qualified conference management company. The 2018 meeting was devoted to cross-disciplinary discussions of advanced accelerator concepts, including progress in various plasma acceleration methods, new methods of particle acceleration and high energy photon generation, techniques for production of ultra-high accelerating gradients in media other than plasmas, diagnostics and control of particle and photon beams and various associated particle beam, RF and energy sources. The Workshop had 278 attendees, including a record 96 students. Attendees came from 12 countries representing a wide range of institutions. The workshop format consisted of plenary sessions in the morning with topical leaders from around the world presenting the latest breakthroughs to the entire workshop. In the late morning and afternoons attendees broke out into eight different Working Groups for more detailed presentations and discussions that were summarized on the final day of the workshop. In addition, there were student tutorial presentations on two afternoons to provide in depth education and training for the next generation of accelerator scientists, as well as a poster session one evening.

43 PARTICLE ACCELERATORS↗

Xyce TM Parallel Electronic Simulator Reference Guide, Version 6.9

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.

42 ENGINEERING↗

Computational Tools and Techniques for Modeling of Heterogeneous Materials

The specific goal of this CRADA was the development of computational tools and techniques for meso-to-macroscale modeling of transport processes to predict bulk properties of particulate and composite-based heterogeneous materials. These computational tools are particularly useful in exploring the relationship between a product's constituent materials, manufacturing process, resulting microstructure and bulk properties. The specific results of this project are: (i) advancements to the granular package and rigid body capability of the particle dynamics software, LAMMPS, for simulating fine cohesive particles and non-spherical granular particles; (ii) a software tool kit, documentation, and tutorials for statistical characterization, artificial reconstruction, and property-structure model analysis of material microstructure.

Lechman, Jeremy↗

Status of the NEAMS and ARC neutronic fast reactor tools integration to the NEAMS Workbench

The Workbench initiative was launched in FY-2017 within the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Integration Product Line to facilitate the transition from conventional tools to high-fidelity tools. The Workbench provides a common user interface for model creation, real-time validation, execution, output processing, and visualization for integrated codes. The integration of the Argonne Reactor Computation (ARC) suite of codes into the NEAMS Workbench was initiated in FY-2017. The ARC codes contain both legacy codes like DIF3D and REBUS-3 that were developed with over 30 years of experience, and newer NEAMS additions like MC2-3, PERSENT and PROTEUS. The ARC integration into the NEAMS Workbench interface relies on the PyARC module which handles the pre- and post-processing of the native ARC codes input, and the runtime environment. The PyARC module together with the NEAMS Workbench interface are both released under Open Source Software licenses. In FY-2019, the effort focused on integrating the explicit assembly management logic of REBUS, the GAMSOR code for gamma heating transport, and of the NODAL solver of PROTEUS. Additional capabilities were also integrated in response to user requests, such as the assembly power peaking calculation and a 2D result plotting capability. For verification and demonstration purposes, the ARC codes were used through the Workbench for solving the Sodium-cooled Fast Reactor Uncertainty Analysis in Modelling (SFR-UAM) benchmark problems, including the newly proposed unit cells and ASTRID problem. Significant effort in FY-2019 focused on training new users from ANL, INL, NCSU, and Westinghouse. In particular, extensive training material was developed in the form of tutorials, including documentation, sample inputs, and associated presentations. The ARC codes are now actively used through the NEAMS Workbench by nuclear engineers at ANL, INL, NCSU, and Westinghouse, for LFR, MSR, micro-reactor, and SFR core design analyses. Future efforts will focus on adding new and existing modeling capabilities available with the ARC and NEAMS codes, training new users and supporting them to continue building user experience.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Xyce Parallel Electronic Simulator Reference Guide (V.6.12)

This document is a reference guide to the Xyce Parallel Electronic Simulator, and is a companion document to the Xyce Users' Guide [1]. 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.

47 OTHER INSTRUMENTATION↗

Multi-scale Molecular Systems Biology: Reconstruction and Model Optimization (Final Report)

Within the Biological and Environmental Research program, the goal of the Genomic Science program is to achieve a predictive, systems-level understanding of plants, microbes, and biological communities to enable biobased solutions to DOE mission challenges in energy and environment. To achieve this goal, an ultimate objective is to develop the knowledgebase, computational infrastructure, and modeling capabilities to advance predictive understanding and manipulation of biological systems. Our project has increased the modeling capabilities and computational infrastructure required to advance predictive understanding and manipulation of biological systems. In particular, we have developed novel algorithms, for modelling biochemical reaction kinetics at genome-scale. These new algorithms have been publicly disseminated as open source software with extensive documentation and tutorials that enable widespread application of this advanced software to practical modelling scenarios. The technical effectiveness of all novel software has been conclusively demonstrated and the quality of this software is maintained by a dedicated continuous integration system. Ultimately, the results of this project will benefit the public because it will enable biologists to more accurately computationally model biological systems that need to be understood to address DOE challenges in energy and environment.

09 BIOMASS FUELS↗

Kokkos Training Bootcamp

This report documents the completion of milestone STPM12-17 Kokkos Training Bootcamp. The goal of this milestone was to hold a combined tutorial and hackathon bootcamp event for the Kokkos community and prospective users. The Kokkos Bootcamp event was held at Argonne National Laboratories from August 27 — August 29, 2019. Attendance being lower than expected (we believe largely due to bad timing), the team focused with a select set of ECP partners on early work in preparation for Aurora. In particular we evaluated issues posed by exposing SYCL and OpenMP target offload to applications via the Kokkos Pro Model.

97 MATHEMATICS AND COMPUTING↗