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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Verification and Validation of the New MCNP6.3 Criticality Features [Slides]

This presentation touches on a separate MCNP6.3 V&V document reports on all the default calculations for all test suites. Here, we look at new optional features of the MCNP6.3 code with Fission-matrix-based options, Convergence and population testing, and Automated acceleration of the fission source additionally Doppler Broadening Resonance Correction. Also touched on are validation benchmarks: criticality, crit_expanded, and Rossi-α. All the new MCNP6.3 options give statistically equivalent results and either provide a reduction or no change in computational cost. We consider giving these new features a try and using them for all criticality calculations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Nuclear Science for the Manhattan Project and Comparison to Today’s ENDF Data

Nuclear physics advances in the United States and Britain from 1939 to 1945 are described. The Manhattan Project’s work led to an explosion in our knowledge of nuclear science. A conference in April 1943 at Los Alamos provided a simple formula used to compute critical masses and laid out the research program needed to determine the key nuclear constants. In short order, four university accelerators were disassembled and reassembled at Los Alamos, and methods were established to make measurements on extremely small samples owing to the initial lack of availability of enriched 235U and plutonium. I trace the program that measured fission cross sections, fission-emitted neutron multiplicities and their energy spectra, and transport cross sections, comparing the measurements with our best understanding today as embodied in the Evaluated Nuclear Data File ENDF/B-VIII.0. The large nuclear data uncertainties at the beginning of the project, which often exceeded 25% to 50%, were reduced by 1945 often to less than 5% to 10%. Uranium-235 and plutonium-239 fission cross-section assessments in the fast mega-electron-volt range were reduced following more accurate measurements, and the neutron multiplicity $\overline{v}$ increased. By a lucky coincidence of canceling errors, the initial critical mass estimates were close to the final estimated masses. Some images from historical documents from our Los Alamos archives are shown. Many of the original measurements from these early years have not previously been widely available. Through this work, these data have now been archived in the international experimental nuclear reaction data library (EXFOR) in a collaboration with the International Atomic Energy Agency and Brookhaven National Laboratory.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

INTERSECT Architecture Specification: System-of-systems Architecture (Version 0.5)

Oak Ridge National Laboratory (ORNL)’s Self-driven Experiments for Science / Interconnected ScienceEcosystem (INTERSECT) architecture project, titled “An Open Federated Architecture for the Laboratory of the Future”, creates an open federated hardware/software architecture for the laboratory of the future using a novel system of systems (SoS) and microservice architecture approach, connecting scientific instruments, robot-controlled laboratories and edge/center computing/data resources to enable autonomous experiments, “self-driving” laboratories, smart manufacturing, and artificial intelligence (AI)-driven design, discovery and evaluation. The architecture project is divided into three focus areas: design patterns; SoS architecture; and microservices architecture. The design patterns area focuses on describing science use cases as design patterns that identify and abstract the involved hardware/software components and their interactions interms of control, work and data flow. The SoS architecture area focuses on an open architecture specification for the federated ecosystem that clarifies terms, architectural elements, the interactions between them and compliance. The microservices architecture describes blueprints for loosely coupled microservices, standardized interfaces, and multi-programming language support. This document is the SoS Architecture specification only, and captures the system of systems architecture design for the INTERSECT Initiative and its components. It is intended to provide a deep analysis and specification of how the INTERSECT platform will be designed, and to link the scientific needs identified across disciplines with the technical needs involved in the support, development, and evolution of a science ecosystem. PLEASE NOTE: This is a working document and reflects current discussions and design activity among the authors. There may be inconsistencies within the document as different parts evolve at a different pace. We invite comments and thoughts from the public on this and following working drafts. The first finished version of this document is scheduled for release in September 2023.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Towards Generic Parallel Programming in Computer Science Education with Kokkos

Parallel patterns, views, and spaces are promising abstractions to capture the programmer's intent as well as the contextual information that can be used by an underlying runtime to efficiently map software to parallel hardware. These abstractions can be valuable in cases where an algorithm must accommodate requirements of code and performance portability across hardware architectures and vendor programming models. Kokkos is a parallel programming model for host- and accelerator architectures that relies on these abstractions and targets these requirements. It consists of a pure C++ interface, a specification, and a programming library. The programming library exposes patterns and types and maps them to an underlying abstract machine model. The abstract machine model offers a generic view of parallel hardware. While Kokkos is gaining popularity in large-scale HPC applications at some DOE laboratories, we believe that the implemented concepts are of interest to a broader audience including academia as they may contribute to a generic, vendor, and architecture-independent education of parallel programming. In this work, we give an insight into the design considerations of this programming model and list important abstractions. Further, we document best practices obtained from giving virtual classes on Kokkos and give pointers to resources that the reader may consider valuable for a lecture on generic parallel programming for students with preexisting knowledge on this matter.

Ciesko, Jan↗
DOE OSTI2015

TU-AB-201-02: An Automated Treatment Plan Quality Assurance Program for Tandem and Ovoid High Dose-Rate Brachytherapy

Purpose: For tandem and ovoid (T&O) HDR brachytherapy in our clinic, it is required that the planning physicist manually capture ∼10 images during planning, perform a secondary dose calculation and generate a report, combine them into a single PDF document, and upload it to a record- and-verify system to prove to an independent plan checker that the case was planned correctly. Not only does this slow down the already time-consuming clinical workflow, the PDF document also limits the number of parameters that can be checked. To solve these problems, we have developed a web-based automatic quality assurance (QA) program. Methods: We set up a QA server accessible through a web- interface. A T&O plan and CT images are exported as DICOMRT files and uploaded to the server. The software checks 13 geometric features, e.g. if the dwell positions are reasonable, and 10 dosimetric features, e.g. secondary dose calculations via TG43 formalism and D2cc to critical structures. A PDF report is automatically generated with errors and potential issues highlighted. It also contains images showing important geometric and dosimetric aspects to prove the plan was created following standard guidelines. Results: The program has been clinically implemented in our clinic. In each of the 58 T&O plans we tested, a 14- page QA report was automatically generated. It took ∼45 sec to export the plan and CT images and ∼30 sec to perform the QA tests and generate the report. In contrast, our manual QA document preparation tooks on average ∼7 minutes under optimal conditions and up to 20 minutes when mistakes were made during the document assembly. Conclusion: We have tested the efficiency and effectiveness of an automated process for treatment plan QA of HDR T&O cases. This software was shown to improve the workflow compared to our conventional manual approach.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Assessment of the High Flux Isotope Reactor Cybersecurity Initiative

Recent cyber-attacks on industrial control systems, and inadvertent exposure of nuclear plant systems to cyber-exploits underscore the need for plant operators to adopt and deploy cyber-security defense solutions made for industrial control systems. Of increasing concern is the fact that international cyber hackers are beginning to target critical infrastructure, and because these more modern controls systems depend on advanced use of digital systems, they are more vulnerable than ever before to cyber-attacks. Traditional cyber defense strategies and products that have been available for decades are tailored for use on IT or corporate networks but can cause interruptions and catastrophic damage when deployed on industrial control system networks. The Department of Energy (DOE) Office of Nuclear Energy established the Gateway for Accelerated Innovation in Nuclear (GAIN) program to provide private companies pursuing innovative nuclear energy technologies with access to the technical support necessary to move toward commercialization. One of these GAIN small business vouchers was awarded to Dragos, Inc. to enable collaboration with Oak Ridge National Laboratory (ORNL) to evaluate the Dragos Platform on a production nuclear reactor test bed, hence laying the path for future commercial adoption. The vision was to provide a guide for industrial operators on implementing an industrial monitoring solution and to show how these solutions can be deployed without causing safety and reliability issues. This report documents the results of the collaboration between ORNL and Dragos, Inc.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Artificial Intelligence for Isotopes: Report on the 2022 Workshop on Artificial Intelligence for Isotope R&D and Production

The Department of Energy Isotope Program (DOE IP) hosted a virtual workshop on Artificial Intelligence (AI) for Isotope R&D and Production on March 17 and April 14, 2022. The purpose of the workshop was for DOE IP to further its understanding of the potential roles for and subsequent opportunities to incorporate AI into its activities. The workshop brought over 80 participants together from both the AI and isotope science communities. Participants contributed ideas through plenary talks, lightning talks, and breakout discussion sessions. The primary focus of all discussions was related to isotope production and processing. However, isotope enrichment, workforce development, and supply chain management were also discussed. This report documents the information presented and discussed at the workshop.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2023

Verification and Performance Impact of the New Parallel MCNP6.3 Particle Track Output Capability for Subcritical Multiplication Simulations [Slides]

A separate MCNP6.3 V&V document reports on all the default calculations for all test suites. This report does not include the subcritical multiplication benchmark suite. After some additional clean-up and finalizing the post-processing and documentation steps, the subcritical multiplication benchmark suite will be released in the next version of our vnvstats repository. We tested the new HDF5 PTRAC feature in MCNP6.3 and found encouraging outcomes. Identical results coming out of the simulation with respect to the legacy PTRAC results. The overall runtime for all simulations is reduced by ~20% with the new HDF5 PTRAC capability. We consider giving the new HDF5 PTRAC features a try and using it for all subcritical multiplication and any other relevant (PTRAC) calculations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Notes on a New Coherence Estimator

This document discusses some interesting features of the new coherence estimator in [1] . The estimator is d erived from a slightly different viewpoint. We discuss a few properties of the estimator, including presenting the probability density function of the denominator of the new estimator , which is a new feature of this estimator . Finally, we present an appr oximate equation for analysis of the sensitivity of the estimator to the knowledge of the noise value. ACKNOWLEDGEMENTS The preparation of this report is the result of an unfunded research and development activity. Sandia National Laboratories is a multi - program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE - AC04 - 94AL85000.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Release 1.0 of MARMOT: A Mesoscale Fuel Performance Code

MARMOT is the mesoscale fuel performance code under development as part of the US DOE Nuclear Energy Advanced Modeling and Simulation Program. With this report, we release a new version of MARMOT, summarize its implemented capabilities, and document the ongoing development of new capabilities planned for the next release. The purpose of MARMOT is to predict the coevolution of microstructure and material properties of nuclear fuel and cladding due to stress, temperature, and irradiation damage. It accomplishes this using the phase field method coupled to solid mechanics and heat conduction. MARMOT is based on the Multiphysics Object-Oriented Simulation Environment (MOOSE), and much of its basic capability in the areas of the phase field method, mechanics, and heat conduction come directly from MOOSE modules.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

MCNP® Code Version 6.3.1: Verification & Validation Testing (Rev.1)

This report describes the verification and validation testing performed on MCNP® code version 6.3.1. The purpose of this report is to act as a compendium of test suite descriptions and results. Accordingly the document is divided into two parts. Part I (this part) describes each test suite in the following sections. Part II provides the results of testing each suite and comparisons to experimental and/or alternative computational results, as appropriate.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Scan2Sim: Software to Convert Network Scans to Emulations

Within operational technology (OT) systems design, the construction of testing environments for simulation is often a tedious, manual process that slows down safety and security evaluations. This document details the design and functionality of Scan2Sim, a program designed to construct high-fidelity topological schematics for OT systems without significant manual human input. Scan2Sim may take as input a detailed network scan of a system, and produces an instruction set to re-create the original scanned network within a virtualized simulation network. This construction is achieved via heuristic methods of machine template selection, which allows for a fast, performant approach to automated environment construction. The current tool is designed to produce topology schematics compatible with the Minimega, a tool designed by Sandia National Laboratories for repeatable experimentation management.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

A Multi-Year Plan for Enhancing Turbulence Modeling in Hydra-TH

The purpose of this milestone report is to document a multi-year plan for enhancing turbulence modeling in Hydra-TH. In Phase II of the Consortium for Advanced Simulation of Light Water Reactors (CASL) program, Hydra-TH is being developed to the meet the high-fidelity, high-Reynolds number CFD based thermal hydraulic simulation needs of the program. This work will be conducted within the thermal hydraulics methods (THM) focus area. This objective will be met by; maturation of recently added models, strategic design/development of new models and systematic and rigorous testing of existing and new models and model extensions. This report will also serve to meet the requirements of CASL level three milestone, L3:THM.CFD.P10.02, scheduled for completion March 31, 2015.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Statistical Framework for Planning a Shelf Life Program with Binary Performance Data

This document outlines a statistical framework for establishing a shelf-life program for components whose performance is measured by a binary response, usually ‘pass’ or ‘fail.’ The approach applies to both single measurement devices and repeated measurement devices. The high-level objective of these plans is to quickly detect any sizeable increase in fraction defective as the product ages. The statistical approach is to choose a sample size and monitoring technique that alarms when the fraction defective increases to an unacceptably high level, but does not alarm when the process is at nominal. The nominal (acceptable) fraction defective is used, and an increased fraction defective (unacceptable) is assumed as part of the control chart design. The control chart recommended for this problem is the Bernoulli Cumulative Sum (CUSUM) control chart.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

LANL Meteorological Program Self-Assessment 2021 Update

This self-assessment, documented in Table 1, has shown that there has been continued significant progress achieved in meeting the intent of the 21 recommendations from the 2015 DMCC Assist Visit. Every year after the Assist Visit, the LANL Met Program has improved, mainly by addressing the recommendations in the Assist Visit report. The Met Program management should continue to strive to apply its limited resources and seek to acquire additional human capital and physical resources to meet the dynamic needs of its growing sitewide customer base. This includes additional upgrading of the hardware and software elements of the Met Program and implementation of its operational procedures and QAPP to ensure it will consistently meet important present program requirements, as well as anticipated future requirements. These improvements have been summarized in the “present improvements and future initiatives” column in Table 1.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Mobile Device Application for Gunshot Trilateration

The New Mexico Small Business Assistance program at Sandia National Labs and Parental Values, LLC have agreed to explore commonly known principles to describe techniques in trilateration. The objective from Parental Values' standpoint is to use these commonly known principles for the purpose of their own software development by their employees. The software would be meant for mobile devices held by minors and the software would be monitored by parent(s) and/or guardians. The software would be able to notify parent(s)/guardian(s) in the event of an active shooter in a proximity close enough for the mobile devices' onboard microphones to detect a gunshot's noise. This document is meant for the employees of Parental Values to understand the commonly known principles as it applies to their intended implementation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

User Manual for MC 2 -3 Gamma Library Generation

This report provides the documentation for the revised procedure to generate the MC 2 -3 gamma library with the latest versions of PreGAMMA and GenGAMMA which have recently been updated to fix the program errors and inconsistent data processing for some isotopes identified in a recent verification and validation study of the MC 2 -3 gamma library. A few associated errors associated with gamma processing were also identified and fixed in the MC 2 -3 code. Addressing the changes in MC 2 -3, the procedure to generate the PMATRX and GAMISO datasets is discussed as well. The input data of PreGAMMA and GenGAMMA are discussed in detail using sample input data. In addition, the structure and formats of the MC 2 -3 gamma library are provided in detail.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

US ATLAS and US CMS HPC and Cloud Blueprint

The Large Hadron Collider (LHC) at CERN houses two general purpose detectors - ATLAS and CMS - which conduct physics programs over multi-year runs to generate increasingly precise and extensive datasets. The efforts of the CMS and ATLAS collaborations lead to the discovery of the Higgs boson, a fundamental particle that gives mass to other particles, representing a monumental achievement in the field of particle physics that was recognized with the awarding of the Nobel Prize in Physics in 2013 to François Englert and Peter Higgs. These collaborations continue to analyze data from the LHC and are preparing for the high luminosity data taking phase at the end of the decade. The computing models of these detectors rely on a distributed processing grid hosted by more than 150 associated universities and laboratories worldwide. However, such new data will require a significant expansion of the existing computing infrastructure. To address this, both collaborations have been working for years on integrating High Performance Computers (HPC) and commercial cloud resources into their infrastructure and continue to assess the potential role of such resources in order to cope with the demands of the new high luminosity era. US ATLAS and US CMS computing management have charged the authors to provide a blueprint document looking at current and possibly future use of HPC and Cloud resources, outlining integration models, possibilities, challenges and costs. The document will address key questions such as the optimal use of resources for the experiments and funding agencies, the main obstacles that need to be overcome for resource adoption, and areas that require more attention.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗