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DOE OSTI2023

High Energy Physics Network Requirements Review: Two-Year Update

The Energy Sciences Network (ESnet) is the high-performance network user facility for the US Department of Energy (DOE) Office of Science (SC) and delivers highly reliable data transport capabilities optimized for the requirements of data-intensive science. In essence, ESnet is the circulatory system that enables the DOE science mission by connecting all its laboratories and facilities in the US and abroad. ESnet is funded and stewarded by the Advanced Scientific Computing Research (ASCR) program and managed and operated by the Scientific Networking Division at Lawrence Berkeley National Laboratory (LBNL). ESnet is widely regarded as a global leader in the research and education networking community. ESnet interconnects DOE national laboratories, user facilities, and major experiments so that scientists can use remote instruments and computing resources as well as share data with collaborators, transfer large datasets, and access distributed data repositories. ESnet is specifically built to provide a range of network services tailored to meet the unique requirements of the DOE’s data-intensive science. In July 2023, the Energy Sciences Network (ESnet) and the High Energy Physics program (HEP) of the DOE SC organized an interim ESnet requirements review of HEP-supported activities, to follow up on the work started during the 2020 HEP Network Requirements Review. Preparation for these events included checking back with the key stakeholders: program and facility management, research groups, and technology providers. Each stakeholder group was asked to prepare updates to their previously submitted case study documents, so that ESnet could update the understanding of any changes to the current, near-term, and long-term status, expectations, and processes that will support the science activities of the program.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

BISON Capability to Account for Dopant Sensitivity in Relevant UO 2 Material Models

The U.S. Department of Energy’s Nuclear Energy Advanced Modeling and Simulation program aims to develop predictive capabilities using computational methods for the analysis and design of advanced reactor and fuel cycle systems. This program has been supporting the development of BISON, a high-fidelity and high-resolution fuel performance tool at the engineering scale. Incorporation of more physics-based models in BISON for the accident tolerant fuel applications motivated this study. This document details integration of new modeling capabilities in BISON, including: a tensile strength model for uranium dioxide (UO 2 ) fuel to incorporate the microstructural effects (e.g., grain size, fabrication pore size, and porosity), and atomistic-informed creep model for UO 2 fuel that is developed by Los Alamos National Laboratory. Sensitivity analyses are conducted on these models separately as well as a two-dimensional full rod application under normal operating conditions. Lastly, these new modeling capabilities in BISON are exercised in Halden IFA-677.1 and IFA-716.1 assessment cases.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2016

Multiyear Plan for Validation of EnergyPlus Multi-Zone HVAC System Modeling using ORNL's Flexible Research Platform

This document describes the Oak Ridge National Laboratory (ORNL) multiyear experimental plan for validation and uncertainty characterization of whole-building energy simulation for a multi-zone research facility using a traditional rooftop unit (RTU) as a baseline heating, ventilating, and air conditioning (HVAC) system. The project’s overarching objective is to increase the accuracy of energy simulation tools by enabling empirical validation of key inputs and algorithms. Doing so is required to inform the design of increasingly integrated building systems and to enable accountability for performance gaps between design and operation of a building. The project will produce documented data sets that can be used to validate key functionality in different energy simulation tools and to identify errors and inadequate assumptions in simulation engines so that developers can correct them. ASHRAE Standard 140, Method of Test for the Evaluation of Building Energy Analysis Computer Programs (ASHRAE 2004), currently consists primarily of tests to compare different simulation programs with one another. This project will generate sets of measured data to enable empirical validation, incorporate these test data sets in an extended version of Standard 140, and apply these tests to the Department of Energy’s (DOE) EnergyPlus software (EnergyPlus 2016) to initiate the correction of any significant deficiencies. The fitness-for-purpose of the key algorithms in EnergyPlus will be established and demonstrated, and vendors of other simulation programs will be able to demonstrate the validity of their products. The data set will be equally applicable to validation of other simulation engines as well.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2021

Final Reports of the 2021 Los Alamos National Laboratory Computational Physics Student Summer Workshop

Since 2011, the Los Alamos National Laboratory Computational Physics Student Summer Workshop has been bringing together a highly talented and diverse group of students every summer. Students work in teams of two, alongside typically two mentors, on research projects reflecting a broad range of topics within computational physics. In addition, students attend a series of lectures on topics within computational physics, facility tours, and networking events. The program lasts ten weeks, with this year’s workshop running from June 7 to August 13. At the end of the summer, students give a final presentation, along with a written report. Those reports are what make up the remaining sections of this document. Admission to the workshop is by a competitive process, with the mentors forming the selection committee. One of the important accomplishments of the workshop has been to create a student pipeline from diverse schools that sometimes are not normally tapped by LANL recruiting. Many workshop students maintain a continuing relationship with LANL, returning as student interns, post-doctoral researchers, and staff members. Additionally, workshop alumni act as ambassadors for LANL. The result is a wider awareness both of LANL as a potential employer, and of the technical work that happens at LANL. This year, the workshop was once again in an off-site, virtual format. Students worked on LANL virtual desktop systems remotely, also accessing LANL HPC resources. In order to facilitate communication, student were given accounts on both Webex, a video teleconferencing platform, and Mattermost, an online team collaboration and chat platform, similar to Slack. Daily communication between students and mentors was primarily on Mattermost, with Webex conferencing as needed. The lectures were all done on Webex. Given the difficulty of the virtual format, and a concern that students might have video teleconferencing burn-out, all lectures were optional this year. In spite of this, the attendance was generally high. Lecturers were asked to try to move to a more high-level, ”What is it?,” format. Once again, the students did a tremendous job. Over the course of ten weeks, they did important research across a staggering array of disciplines. The following pages contain the final report for each team’s research efforts. Enjoy!

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2020

Final Reports of the 2020 Los Alamos National Laboratory Computational Physics Student Summer Workshop

For the past ten years, the workshop has been bringing a highly talented and diverse group of student every summer. Students work in teams of two, alongside typically two mentors, on research projects reflecting a broad range of topics within computational physics. In addition, students attend a series of lectures on topics within computational physics, facility tours, and networking events. The program lasts ten weeks, with this year’s workshop running from June 8 to August 14. At the end of the summer, students give a final presentation, along with a written report. Those reports are what make up the remaining sections of this document. Admission to the workshop is by a competitive process, with the mentors forming the selection committee. One of the important accomplishments of the workshop has been to create a student pipeline from diverse schools that sometimes are not normally tapped by LANL recruiting. Many workshop students maintain a continuing relationship with LANL, returning as students interns, post-doctoral researchers, and staff members. Additionally, workshop alumni act as ambassadors for LANL. The result is a wider awareness both of LANL as a potential employer, and of the technical work that happens at LANL. This year, the workshop format was changed in several ways, in order to accommodate the off-site, virtual format. Students worked on LANL virtual desktop systems remotely, also accessing LANL HPC resources. In order to facilitate communication, student were given accounts on both Webex, a video teleconferencing platform, and Mattermost, an online team collaboration and chat platform, similar to Slack. Daily communication between students and mentors was primarily on Mattermost, with Webex conferencing as needed. The lectures were all done on Webex. Given the difficulty of the virtual format, and a concern that students might have video teleconferencing burn-out after an academic semester largely moved to that format, all lectures were optional this year. In spite of this, the attendance was generally high. Lecturers were asked to try to move to a more high-level, ”What is it?,” format. Once again, the students did a tremendous job. Over the course of ten weeks, they did important research across a staggering array of disciplines. The following pages contain the final report for each team’s research efforts. We hope you will find reading them as exciting as it was for us to produce them.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Fusion Energy Sciences Network Requirements Review. Final Report, April - October 2021

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2019

VERAView API and Programmer's Guide (Milestone L3:PHI.MQA-1.P19.03)

VERAView's component-based design facilitates extension and integration into other applications and systems. In addition to describing VERAView's architecture and components, this document provides details on the component application programming interfaces (API), illustrates how to use them independently of VERAView itself, and explains how to extend VERAView with custom visualizations.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

A User Guide to PARET/ANL

PARET was originally created in 1969 at what is now Idaho National Laboratory (INL), to analyze reactivity insertion events in research and test reactor cores cooled by light or heavy water, with fuel composed of either plates or pins. The use of PARET is also appropriate for fuel assemblies with curved fuel plates when their radii of curvatures are large with respect to the fuel plate thickness. The PARET/ANL version of the code has been developed at Argonne National Laboratory (ANL) under the sponsorship of the U.S. Department of Energy/NNSA since the inception of the Reactor Conversion Program. Since Reduced Enrichment for Research and Test Reactors (RERTR) began in 1978, PARET/ANL has been benchmarked to experimental data including SPERT testing, and used to determine the expected transient behavior of many reactors both inside and outside the Reactor Conversion Program. This document provides the pertinent information for the use of PARET/ANL Version 7.6.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Preliminary Design of Critical Experiments Involving Commercially Available B 4 C Neutron Absorber Plates with Low-Enriched UO 2 Fuel

The International Criticality Safety Benchmark Evaluation Project (ICSBEP) is an initiative to provide high-quality benchmark data in a standardized format for criticality safety analysts to use to validate calculational tools and nuclear data. In the last released 2022 version, the ICSBEP handbook contains over 5,000 critical experiment descriptions, results, and associated models. This paper describes the critical configurations proposed and calculations performed as part of the conceptual design phase of Integral Experiment Request (IER) 554 (IER-554). The goal of IER-554 is to add to the benchmark experiments available to the criticality safety community by designing critical experiments that can analyze how adding commercially available Boralcan plates to an assembly of low-enriched UO2 fuel rods affects the effective neutron multiplication factor (k eff ). Boralcan, a neutron absorber product developed by Rio Tinto, is made of B4C in an Al 1100 matrix and is commonly used for criticality suppression in fuel storage pools. In the current version of the ICSBEP handbook, only a few dated critical experiments involve B4C materials, and none involve Boralcan in a thin plate shape. The experiments designed as part of IER-554 are intended to be performed at the Sandia Pulsed Reactor Facility/Critical Experiments (SPRF/CX) apparatus at Sandia National Laboratories. SPRF/CX is a well-characterized assembly considered trustworthy by the benchmarking community because of the numerous high-quality evaluations with very low experimental uncertainties included in the ICSBEP handbook. Figure 1 illustrates the assembly for a particular configuration from LCT-078, one of the published benchmarks in the ICSBEP handbook. The experiments will be moderated and reflected by light water at ambient atmospheric pressure. Before the plates are inserted in the critical assembly, they will be characterized with x-ray computed tomography (XCT) to identify the sizes and distribution of the B 4 C powder particles inside the plates. The preliminary design calculations were performed with SCALE 6.3.0 using the KENO V.a sequence for the criticality calculations, the CE-TSUNAMI-3D sequence for the sensitivity and uncertainty studies, and the ENDF/B-VII.1 Continuous Energy cross section library. All the calculation results presented have 10 pcm statistical uncertainties. A set of critical experiments with Boralcan plates could increase the confidence of the criticality safety community in its modeling methods when using this type of neutron absorber material. Experiments would also help validate k eff calculations, and the industry could use these validations to change the B loading credit limits from the US Nuclear Regulatory Commission standard review plan for dry cask storage of spent nuclear fuel. This paper summarizes only part of the analysis documented in the preliminary design report.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2015

ATDM Data Management FY2015: Data Warehouse Progress Report

The Advanced Technology Development and Mitigation (ATDM) program at Sandia National Laboratories is a new effort to build next-generation simulation codes that will map well to upcoming exascale computing platforms. Rather than follow traditional single- program, multiple data (SPMD) programming techniques, ATDM is developing applications in an asynchronous many task (AMT) form that describes work as a graph of tasks that have data dependencies. The data management team is focused on developing a data warehouse for ATDM that will enable tasks to store and exchange data objects efficiently. This report summarizes the data management teams efforts during FY15, and documents: (1) an initial API and implementation for the data warehouses key/value store, (2) API requirements for use with ATDMs runtime, (3) initial requirements for storing ATDM-specific data, and (4) the current organization of software components that will be used by the data warehouse.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

Enhanced vector borne disease surveillance of California Culex mosquito populations reveals spatial and species-specific barriers of infection

Monitoring infections in vectors such as mosquitoes,sand flies, tsetse flies, and ticks to identify human pathogens may serve as an early warning detection system to direct local government disease preventive measures. One major hurdle in detection is the ability to screen large numbers of vectors for human pathogens without the use of genotype-specific molecular techniques. Next generation sequencing (NGS) provides an unbiased platform capable of identifying known and unknown pathogens circulating within a vector population, but utilizing this technology is time-consuming and costly for vector-borne disease surveillance programs. To address this we developed cost-effective Ilumina® RNA-Seq library preparation methodologiesin conjunction with an automated computational analysis pipeline to characterize the microbial populations circulating in Culex mosquitoes (Culex quinquefasciatus, Culex quinquefasciatus/pipiens complex hybrids, and Culex tarsalis) throughout California. We assembled 20 novel and well-documented arboviruses representing members of Bunyaviridae, Flaviviridae, Ifaviridae, Mesoniviridae, Nidoviridae, Orthomyxoviridae, Parvoviridae, Reoviridae, Rhabdoviridae, Tymoviridae, as well as several unassigned viruses. In addition, we mapped mRNA species to divergent species of trypanosoma and plasmodium eukaryotic parasites and characterized the prokaryotic microbial composition to identify bacterial transcripts derived from wolbachia, clostridium, mycoplasma, fusobacterium and campylobacter bacterial species. We utilized these microbial transcriptomes present in geographically defined Culex populations to define spatial and mosquito species-specific barriers of infection. The virome and microbiome composition identified in each mosquito pool provided sufficient resolution to determine both the mosquito species and the geographic region in California where the mosquito pool originated. This data provides insight into the complexity of microbial species circulating in medically important Culex mosquitoes and their potential impact on the transmission of vector-borne human/veterinary pathogens in California.

Langevin, Stanley↗

DOE OSTI2015

2009.1 Revision of the Evaluated Nuclear Data Library (ENDL2009.1)

LLNL’s Computational Nuclear Data and Theory Group have created a 2009.1 revised release of the Evaluated Nuclear Data Library (ENDL2009.1). This library is designed to support LLNL’s current and future nuclear data needs and will be employed in nuclear reactor, nuclear security and stockpile stewardship simulations with ASC codes. The ENDL2009 database was the most complete nuclear database for Monte Carlo and deterministic transport of neutrons and charged particles. It was assembled with strong support from the ASC PEM and Attribution programs, leveraged with support from Campaign 4 and the DOE/Office of Science’s US Nuclear Data Program. This document lists the revisions and fixes made in a new release called ENDL2009.1, by comparing with the existing data in the original release which is now called ENDL2009.0. These changes are made in conjunction with the revisions for ENDL2011.1, so that both the .1 releases are as free as possible of known defects.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Assessment and Improvement of Fission Product Transport Predictions of Particle Fuel in BISON

The U.S. Department of Energy’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program aims to develop predictive capabilities by applying computational methods to the analysis and design of advanced reactor and fuel cycle systems. This program has been providing engineering-scale support for the development of BISON, a high-fidelity and high-resolution fuel performance tool. This study was motivated by the need to incorporate more physics-based models in BISON in order to foster tri-structural isotropic (TRISO) applications. This document details the integration of new modeling capabilities in BISON, including (1) development of pyrolytic carbon (PyC) and silicon carbide (SiC) layer anisotropic thermal and mass transport capabilities, (2) verification of the mass diffusion solution in TRISO modeling, (3) calibration of fission product diffusivity using Advanced Gas Reactor (AGR) experiments, (4) improved fission product release modeling by developing compact diffusion modeling capabilities, and (5) documentation of accelerated failure analysis on the BISON website. Improvements made to the diffusion models and parameters were documented and validated against AGR-1 and -2 experiment data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

High Energy Physics Network Requirements Review: One-Year Update

The Energy Sciences Network (ESnet) is the high-performance network user facility for the US Department of Energy (DOE) Office of Science (SC) and delivers highly reliable data transport capabilities optimized for the requirements of data-intensive science. In essence, ESnet is the circulatory system that enables the DOE science mission by connecting all its laboratories and facilities in the US and abroad. ESnet is funded and stewarded by the Advanced Scientific Computing Research (ASCR) program and managed and operated by the Scientific Networking Division at Lawrence Berkeley National Laboratory (LBNL). ESnet is widely regarded as a global leader in the research and education (R&E) networking community. In April 2022, ESnet and the Office of High Energy Physics (HEP) of the DOE SC organized an ESnet requirements review of HEP-supported activities. Preparation for the review included identification of key stakeholders: program and facility management, research groups, and technology providers. Each stakeholder group was asked to prepare formal case study documents about the group’s relationship to the HEP program to build a complete understanding of the current, near-term, and long-term status, expectations, and processes that will support the science going forward. A series of pre-planning meetings better prepared case study authors for this task, along with guidance on how the review would proceed in a virtual fashion.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Biological and Environmental Research Network Requirements Review (Final Report)

The Energy Sciences Network (ESnet) is the high-performance network user facility for the US Department of Energy (DOE) Office of Science (SC) and delivers highly reliable data transport capabilities optimized for the requirements of data-intensive science. In essence, ESnet is the circulatory system that enables the DOE science mission by connecting all its laboratories and facilities in the US and abroad. ESnet is funded and stewarded by the Advanced Scientific Computing Research (ASCR) program and managed and operated by the Scientific Networking Division at Lawrence Berkeley National Laboratory (LBNL). ESnet is widely regarded as a global leader in the research and education (R&E) networking community. Between August 2022 and April 2023, ESnet and the Office of Biological and Environmental Research (BER) of the DOE SC organized an ESnet requirements review of BER-supported activities. Preparation for these events included identification of key stakeholders: program and facility management, research groups, and technology providers. Each stakeholder group was asked to prepare formal case study documents about its relationship to the BER ESS program to build a complete understanding of the current, near-term, and long-term status, expectations, and processes that will support the science going forward. A series of pre-planning meetings better prepared case study authors for this task, along with guidance on how the review would proceed in a virtual fashion.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Updated ENDF-6 Format Approval Process [Slides]

The presentation begins by discussing the original ENDF/B-VIII.0 format proposal lifecycle and states that the GNDS Expert Group has developed a gitlab-friendly review process that addresses concerns raised by the format proposal lifecycle. As a result, a revised ENDF/B-VIII.0 format proposal lifecycle has been created. The presentation then discusses the necessary steps in the lifecycle that are as follows: create an issue in the issue tracker, make your changes directly to the manual, submit it for review and final approval. The presentation concludes by discussing two other things, including the transition CI/CD from buildbot system to built-in gitlab CI/CD and that the revised format review process document will follow, pending approval.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2017

Initial 1.5D BISON Simulation Verification and Validation CASL FY17 Letter Report

This milestone report describes the current efforts to improve the usability of the recently developed 1.5 dimensional capability in BISON, the initial verification of this BISON capability, and initial validation of the 1.5 dimensional models against existing 2 dimensional axisymmetric full length light water reactor (LWR) fuel rods. The 1.5 dimensional (1.5D) capability in BISON was developed to enable the simulation of LWR fuel rods in a less computationally demanding simulation formulation while retaining key physics of interest. BISON was originally developed to solve 2D axisymmetric and 3D models, and this original development focus allows BISON to examine a wider range of fuel types and geometrically complexity than can be solved with lower dimensional frameworks. As the set of problems which BISON is used to solve expands, the software design requirements continue to evolve. Coupling physics in a higher dimensional geometry is not always required to resolve the physics of interest, such as the modeling of radial heat transfer and radial displacement. BISON, built on the dimension-agnostic MOOSE framework, is able to solve problems in 3D, 2D, and 1D with only minor modifications to the material definition code so that the appropriate geometrical representation can be applied in different problems of interest. The motivation for the development and validation of the BISON 1.5D capability is the CASL program's need for a simplified and computationally efficient version of BISON for use in the large multi-physics VERA simulations which include hundreds of individual fuel rods. The original development of the BISON 1.5D simulation capability is described in the CASL FY17 Letter Report from January 2017, and this report documents the continuing work identified in the previous report. The improvements to the usability of the 1.5D capability through input file simplifications, the results of the verification simulations, the results of the initial validation against the 2D assessment cases in BISON, and the future development needs are included within this report.

1.5D Capability↗

DOE OSTI2022

Countering Weapons of Mass Destruction (CWMD) Device Cybersecurity Characterization Process and Profile

Countering Weapons of Mass Destruction (CWMD) recognizes that threats in the cyberspace domain continue to grow, which requires CWMD devices and supporting systems to be both cybersecure (ability to protect or defend from cyber-attacks) and resilient (ability to maintain required capability in the face of adversity) to cyber threats. The CWMD cybersecurity characterization approach in this document supports existing cyber resilience activities within the Acquisition Lifecycle Framework. Similarly, this process supports existing Department of Homeland Security Cyber Resilience Test and Evaluation activities, which consist of iterative processes, starting at the initiation of system acquisition and continuing throughout the entire device and system life cycle. Cyber resilience is the ability of an information system to continue to operate while under attack, even if in a degraded or debilitated state, and to rapidly recover operational capabilities for essential functions after a successful attack. The goal of the security characterization task for CWMD is to support the development of a CBRN device-dependent profile that aligns with device network capabilities and maps to recommended security controls to create a characterization security profile impact levels. The impact levels for CWMD devices should be characterized as Low (L), Moderate (M), High (H) to align with the low, moderate, high control baselines. To estimate the impact levels, the device’s security-related attributes are translated into the security objectives: Confidentiality (C), Integrity (I), and Availability (A), known as the CIA triad. The potential impact for each device can be L, M, H, for devices that connect and transmit different types of data and may have different impact levels. National Institute of Standards and Technology Federal Information Processing Standards Publication 199 states, “the potential impact values assigned to the respective security objectives shall be the highest value from among those security categories that have been determined for each type of information resident on the information system.” As CWMD is determining the cybersecurity impact levels of CBRN devices based on network connections and data transfers, the impact levels are aligned with the associated attributes of network connections and communications. For example, if the device system is connected to a wireless network and transmits different data types based on the confidentiality of the data, the highest impact value for each security objective should represent the device’s CIA impact level. This document is intended to be used by test managers, test team, and program managers.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗