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Advanced Simulation and Computing FY19 Implementation Plan, Rev. 1

The capabilities that the ASC Program provides at the national laboratories play a vital role in the Nuclear Security Enterprise and are necessary for fulfilling the stockpile stewardship and life extension requirements outlined for NNSA. The Program develops modern simulation tools that provide insights into stockpile aging issues, provide the computational and simulation tools that enable designers and analysts to certify the current stockpile and life-extended nuclear weapons, and inform the decision-making process when any modifications in nuclear warheads or the associated manufacturing processes are deemed necessary. Furthermore, ASC is enhancing the predictive simulation capabilities that are essential to evaluate weapons effects, design experiments, and ensure test readiness. The ASC Program continues to improve its unique tools to solve stockpile problems— with a focus on sufficient resolution, dimensionality, and scientific detail—to enable Quantification of Margins and Uncertainties (QMU) and to resolve the increasingly difficult analyses needed for stockpile stewardship. The needs of the Directed Stockpile Work (DSW) and major modernization programs also drive the requirements for simulation and computational resources. These requirements include planned LEPs, stockpile support activities, and mitigation efforts against the potential for technical surprise. All of the weapons within the current stockpile are in some stage of the life extension process. The simulation and computational capabilities are crucial for successful execution of these lifetime extensions and for ensuring NNSA can certify these life-extended weapons without conducting a UGT. Specific work activities and scope contained in this Implementation Plan (IP) represent the full-year annual operating plan for FY19. The Initial IP, effective August 8, 2018, should be consistent with the Department’s Base Table when operating under a Continuing Resolution (CR). The final IP, effective date TBD, is consistent with the final, enacted appropriation.

97 MATHEMATICS AND COMPUTING↗

Advanced Simulation and Computing FY18 Implementation Plan, Rev. 1

The capabilities that the ASC Program provides at the national laboratories play a vital role in the Nuclear Security Enterprise and are necessary for fulfilling the stockpile stewardship and life extension requirements outlined for NNSA. The Program develops modern simulation tools that provide insights into stockpile aging issues, provide the computational and simulation tools that enable designers and analysts to certify the current stockpile and life-extended nuclear weapons, and inform the decision-making process when any modifications in nuclear warheads or the associated manufacturing processes are deemed necessary. Furthermore, ASC is enhancing the predictive simulation capabilities that are essential to evaluate weapons effects, design experiments, and ensure test readiness. The ASC Program continues to improve its unique tools to solve stockpile problems— with a focus on sufficient resolution, dimensionality, and scientific detail—to enable Quantification of Margins and Uncertainties (QMU) and to resolve the increasingly difficult analyses needed for stockpile stewardship. The needs of the Directed Stockpile Work (DSW) and major modernization programs also drive the requirements for simulation and computational resources. These requirements include planned LEPs, stockpile support activities, and mitigation efforts against the potential for technical surprise. All of the weapons within the current stockpile are in some stage of the life extension process. The simulation and computational capabilities are crucial for successful execution of these lifetime extensions and for ensuring NNSA can certify these life-extended weapons without conducting a UGT. Specific work activities and scope contained in this Implementation Plan (IP) represent the full-year annual operating plan for FY18. The Initial IP effective October 1, 2017, should be consistent with the Department’s Base Table when operating under a Continuing Resolution (CR). The final IP, effective March 24, 2018, is consistent with the final, enacted appropriation.

97 MATHEMATICS AND COMPUTING↗

Operational Planning Strategy for a Sequim Bay Underwater UXO Test Site (SBU2)

The Department of Defense (DoD) has identified more than 400 underwater sites that are potentially contaminated with munitions. Most areas are in shallow water (0-35 m) where the munitions pose a threat to human health and the environment. The Strategic Environmental Research and Development Program (SERDP) and Environmental Security Technology Certification Program (ESTCP) held a workshop in 2018 to establish the requirements, framework, protocols, responsibilities, and time lines for development of a series of underwater UXO Standardized Demonstration sites (“test beds”) for the purpose of testing the efficacy of sensors, equipment, and technologies to detect UXO. The workshop recommended a phased approach to building test beds to capitalize on: 1) incorporation of lessons learned from existing DoD funded projects, 2) leveraging existing underwater test bed environments funded by other programs, and 3) supporting recursive learning from early phases of the test bed development (i.e. efficiently optimizing through a scaling-up approach). This strategy document provides the framework to establish a working operational plan for the Sequim Bay Underwater UXO (SBU2) Test Bed (Phase II). Details of the plan are dependent on earlier phases of the effort as shown in Figure 1. Results from Phase I are being evaluated, and when complete, will inform the next iteration of this plan. As such, it should be considered a living document that will be informed by the lessons learned and updated as new information becomes known and requirements are refined. This approach will allow SBU2 to evolve to meet the needs of the remediation community.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Sequim Bay Underwater UXO (SBU2) Prototype Demonstration Site: Field Operations Summary, 2019

The U.S. Department of Defense (DoD) has identified more than 400 underwater sites that are potentially contaminated with munitions. Many of these sites are in shallow water (0–35 m deep) where the munitions pose a threat to human health and the environmental. To address this challenge, the Strategic Environmental Research and Development Program (SERDP) and Environmental Security Technology Certification Program (ESTCP) held a workshop in 2018 to establish the requirements and framework for developing a series of underwater unexploded ordnance (UXO) Standardized Demonstration sites (“test beds”) to support the evaluation of sensors, equipment, and technologies to detect UXO. Sequim Bay in Washington State was evaluated as a potential test bed and was determined to meet initial qualifying criteria with respect to environmental setting, and operational, logistical, and facilities support provided by the Pacific Northwest National Laboratory (PNNL).

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

ExaSGD: 2021 Kernel Thrust Activities

The Kernel Thrust milestone ADSE22-214 covers the development of device-capable optimization algorithms and solvers technologies required by the ExaSGD project’s software stack in order to solve security-constrained alternating current optimal power flow (SC-ACOPF) problems on emerging exascale architectures. To this extent, in FY21 the main objective of the Kernel Thrust was (i) provide robust optimization solver(s) that run efficiently on hardware accelerator devices (i.e., NVIDIA and AMD GPUs) to perform intra-node computations and (ii) provide coarse-grain parallel optimization capabilities that exploit the decomposition opportunities present in the SC-ACOPF challenge problems to provide exascale-capable solvers.

97 MATHEMATICS AND COMPUTING↗

Distributed Energy Resource Cybersecurity Framework and Cyber Range Integration

Distributed energy resource (DER) systems feature complex, data-driven communications networks that require careful system coordination and constant vigilance to ensure that grid assets are secure. Because DERs are an important component of the decarbonization strategy, agencies need to secure energy data that could implicate issues of national security if compromised. To help federal energy managers assess, monitor, and manage cybersecurity while achieving decarbonization, the National Renewable Energy Laboratory's (NREL's) Distributed Energy Resource Cybersecurity Framework (DER-CF) offers a comprehensive, web-based assessment tool focusing on cyber governance or policies, technical management, and physical security. The DER-CF currently presents users with a series of pertinent cybersecurity questions that are used to generate a site-specific report and recommendations. This paper outlines a plan to integrate the DER-CF with another key asset-NREL's cyber range-to visualize cybersecurity resilience and compliance and to enhance the usability and accessibility of the DER-CF for federal facility energy managers and planners. This integration will result in a visualization environment to interpret and interact with compliance data. Its development will include regular conversations with stakeholders to assess the effectiveness of these efforts, refine the visualization capability, and ensure its value to our partners.

24 POWER TRANSMISSION AND DISTRIBUTION↗

ExaSGD: 2022 Kernel Thrust Activities

The Kernel Thrust milestone ADSE22-407 covers the development of device-capable optimization algorithms and solvers technologies required by the ExaSGD project’s software stack in order to solve security-constrained alternating current optimal power flow (SC-ACOPF) problems on emerging exascale architectures. To this extent, in FY22 the main objective of the Kernel Thrust was (i) provide sparse optimization solver that runs efficiently on hardware accelerator devices (i.e., NVIDIA and AMD GPUs) to perform intra-node computations, (ii) strengthen the reliability and increase the performance of the mixed-dense sparse (MDS) solver of HiOp for deployment on the FY22 target architectures, Summit and Crusher, and (iii) increase performance by improving the mathematical algorithm and refining the parallel MPI-based implementation of the coarse-grain parallel solver HiOp-PriDec for capabilities deployment on the FY22 target architectures, Summit and Crusher. This document presents the developments and contributions done by the Kernels Thrust Team in FY22 toward completion of the above-mentioned objectives. These contributions progressed along four main development (sub)thrusts: (1) Design and implementation of a sparse optimization solver for use on hardware accelerators; (2) Improvement of the mathematical algorithm and of the parallel implementation of HiOp-PriDec to ensure readiness and efficient coarse-grain parallelism for FY23 target exascale machine; and (3) Support Software and Application Development Thrusts of the exaSGD project in their deployment of the project’s software stack on AMD- and NVIDIA-based architectures. The development of the sparse optimization solver (thrust 1 above) was new in FY22 and resulted in a new sparse solver in HiOp (available as of version 0.6). The second development thrust was a continuation of the efforts from FY21 and improved the mathematical algorithm and the communication strategy of the HiOp-PriDec solver. The last developement thrust is a large collaborative effort. Namely, the project’s teams from multiple labs (LLNL, PNNL, ORNL, and NREL) performed large-scale demonstration of the ExaSGD software stack, namely the optimization solvers of HiOp interfaced with the modeling front-end ExaGO and the stochastic sampler PowerScenarios. These demonstration efforts solved large-scale instances of the SC-ACOPF challenge problem of medium network sizes (10, 000-bus system) and large number of contingencies on Summit (NVIDIA accelerators) and Crusher (AMD accelerators) systems at ORNL.

97 MATHEMATICS AND COMPUTING↗

Deploying Adversarial Attacks in Super-Resolution Models

Reliable super-resolution methods are crucial for applications like remote sensing, grid resilience and disaster impact analysis, and standoff biometrics. These methods infuse additional high-frequency information into reconstructions, allowing for better contextualization and image intelligence. However, super-resolution models can also introduce hallucinations or other unseen vulnerabilities that could be exploited by an adversary. This is further compounded by the prominence of deep learning in these models, as models are often blindly applied on out-of-distribution images. In this work, we implement adversarial attacks in common open-source super-resolution models and examine their impact on reconstructions and downstream classification tasks. We find that an adversarially trained super-resolution model can produce high-quality reconstructions that degrade downstream classifications. Moreover, these attacks do not require access to low-resolution imagery or class labels at inference time. These results demonstrate the vulnerability of super-resolution methods to malicious actors and motivates the development of a detector for super-resolution adversarial attacks. Further exploration of adversarial attacks in this domain is required to ensure trustworthiness and robustness of super-resolution models for national security applications.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Communications, tracking, and docking on the Space Station

Many of the communications, tracking, and docking functions on a large manned orbiting Space Station - one that is modular and made of metal - will have to be performed by optical systems out of necessity. This paper discusses four practical approaches to accomplishing Space Station functions using optical communications technology. It also provides the results of preliminary experiments involved in the design of particular systems. Major operational factors considered in each system design include: (a) electromagnetic interference problems, (b) data bandwidth requirements, (c) zero-gravity operations, (d) free-space operations, (e) data security, and (f) modular expansion of the Space Station structure. The technologies discussed are the following: (a) local infrared communications, (b) optical tracking and docking techniques, (c) long distance free space optical communications, and (d) local area optical networks.

Erwin, H. O.↗

Push type fastener

A push type fastener for fastening a movable structural part (41) to a fixed structural part (43), wherein the coupling and decoupling actions are both a push type operation, the fastener consisting of a plunger (12) having a shank (20) with a plunger head (18) at one end and a threaded end portion (26a) at the other end, an expandable grommet (14) adapted to receive the plunger shank (20) therethrough, and an attachable head (16) which is securable to the threaded end of the plunger shank (20). The fastener (10) requires each structural part (41, 43) to be provided with an aperture (45, 46) and the attachable head (16) to be smaller than the aperture (46) in the second structural part. The plunger (12) is extensible through the grommet (14) and is structurally configured with an external camming surface (25) which is cooperatively engageable with internal surfaces (38) of the grommet so that when the plunger is inserted in the grommet, the relative positioning of said cooperable camming surfaces determines the expansion of the grommet. Coupling of the parts is effected when the grommet is inserted in the aperture (46) in the fixed structural part (43) and expanded by pushing the plunger head (18) and plunger at least a minimal distance through the grommet. Decoupling is effected by pushing the attachable head (16).

Jackson, Steven A.↗

Valve Health Monitoring System Utilizing Smart Instrumentation

The valve monitoring system is a stand alone unit with network capabilities for integration into a higher level health management system. The system is designed for aiding in failure predictions of high-geared ball valves and linearly actuated valves. It performs data tracking and archiving for identifying degraded performance. The data collection types are cryogenic cycles, total cycles, inlet temperature, body temperature torsional strain, linear bonnet strain, preload position, total travel and total directional changes. Events are recorded and time stamped in accordance with the IRIG B True Time. The monitoring system is designed for use in a Class 1 Division II explosive environment. The basic configuration consists of several instrumentation sensor units and a base station. The sensor units are self contained microprocessor controlled and remotely mountable in three by three by two inches. Each unit is potted in a fire retardant substance without any cavities and limited to low operating power for maintaining safe operation in a hydrogen environment. The units are temperature monitored to safeguard against operation outside temperature limitations. Each contains 902-928 MHz band digital transmitters which meet Federal Communication Commission's requirements and are limited to a 35 foot transmission radius for preserving data security. The base-station controller correlates data from the sensor units and generates data event logs on a compact flash memory module for database uploading. The entries are also broadcast over an Ethernet network. Nitrogen purged National Electrical Manufactures Association (NEMA) Class 4 enclosures are used to house the base-station

Jensen, Scott L.↗

Verification Challenges at Low Numbers

Many papers have dealt with the political difficulties and ramifications of deep nuclear arms reductions, and the issues of “Going to Zero”. Political issues include extended deterrence, conventional weapons, ballistic missile defense, and regional and geo-political security issues. At each step on the road to low numbers, the verification required to ensure compliance of all parties will increase significantly. Looking post New START, the next step will likely include warhead limits in the neighborhood of 1000 . Further reductions will include stepping stones at1000 warheads, 100’s of warheads, and then 10’s of warheads before final elimination could be considered of the last few remaining warheads and weapons. This paper will focus on these three threshold reduction levels, 1000, 100’s, 10’s. For each, the issues and challenges will be discussed, potential solutions will be identified, and the verification technologies and chain of custody measures that address these solutions will be surveyed. It is important to note that many of the issues that need to be addressed have no current solution. In these cases, the paper will explore new or novel technologies that could be applied. These technologies will draw from the research and development that is ongoing throughout the national laboratory complex, and will look at technologies utilized in other areas of industry for their application to arms control verification.

Nuclear Weapons↗

Cybersecurity Risk Assessment Framework for Externally Exposed Energy Delivery Systems

Securing the energy delivery system (EDS) from complex, nonlinear, and evolving cyber threats requires a complex set of changing and interwoven classes of technologies, policies, relationships, and personnel. One key area in this technological milieu is assessment methodologies to compare information, gathered by a variety of means, about networked devices with publicly known possible threat information about said devices. This information is used to generate risk-based characterizations that allow for the adjudication and proper corresponding management action chains to be assigned.

Gourisetti, Sri Nikhil G.↗

Tracking Radioactive Isotopes in HVAC and Application for Hot Cell Analyses - 20155

In recent years, the surge in the number of isotope production facilities under design has increased the need to analyze isotope migration in facility Heating, Ventilation, and Air Conditioning (HVAC) during normal operations and accident scenarios. These facilities are used to produce isotopes for medical, security, and industrial applications and as such are subject to license and regulatory requirements 10CFR20, 10CFR30, 10CFR50, and 10CFR70. GOTHIC, a general-purpose thermal-hydraulics software package, includes the ability to model isotopic tracers, radioactive decay and isotope migration as well as HEPA and charcoal filters for isotope retention. A GOTHIC model was developed by Zachry Nuclear Engineering (ZNE) to examine the effect of negative room pressure, HEPA filtration, and HVAC fluctuations on radiation areas, hot cells and gloveboxes. Radioactive tracers were used to simulate the concentration of spills within contaminated areas, track the migration of isotopes of interest, and determine the isotopic retention and buildup on facility HEPA filters. A variety of isotopes with concern to dose (e.g., Kr-85, Sr-90, I-131, etc.), including their decay and progeny, are included in the analysis. Negative pressures are maintained in the regions of interest by a representative central HVAC system equipped with a volumetric fan that exhausts to the environment after a series of isolation valves and HEPA filters. GOTHIC is an industry trusted tool for providing engineering solutions for a variety of applications, including fission product tracking, aerosol and particulate transport and ventilation assessments. The software provides an integrated analysis environment that includes a graphical user interface (GUI) for constructing analysis models, a numerical solver that includes parallel processing capabilities and a post-processor for evaluating simulation results. It solves the conservation equations for mass, momentum and energy for multicomponent, multi-phase flow in lumped parameter and multi-dimensional geometries (1, 2, or full 3D), including the effects of turbulence, diffusion and buoyancy. It has been developed and maintained under a Quality Assurance program in compliance with the requirements of 10CFR50 Appendix B and applicable portions of ASME NQA-1 since 1995. GOTHIC has been used for assessing both forced and natural convection conditions for a wide range of applications, including: - Tracking concentration of hazardous gases and chemicals for habitability and safety assessments - Determining ventilation and filtration requirements and optimizing location and arrangement of these systems - Room heat-up, including diverse and Flexible coping strategies for Extended Loss of AC Power (FLEX/ELAP) - Equipment Qualification (EQ) A distinctive feature of GOTHIC is the ability to track many different fields/substances in a simulation, including user defined tracer elements, in the liquid, vapor and droplet fields as well as surfaces and filters. This capability allows GOTHIC to model fission product transport and release or the removal of particulates or harmful toxins from exhaust gases using a spray scrubber or other types of filtration systems. GOTHIC also includes models for engineered equipment, such as fans, filters, charcoal filters, dryers/demisters, dampers, etc. The aerosols and other filtered material are removed or accumulated in these components. The range of aerosol and radiological applications that GOTHIC has been used for includes: - Source Term: Primary Coolant (Equilibrium) Activity; Non-Water Coolant Source/Leakage. - Conditions for Iodine Re-evolution: Sump/Suppression Pool Conditions and pH; - RWST Conditions and pH. - Isotope Removal Mechanisms: Containment Sprayed and Unsprayed Region Mixing; Charcoal Filter Heating due to Iodine decay. - Radionuclide Transport and Decay: Post-LOCA Release in containment; Transport between connected Compartments and vent systems; Groundwater transport of radionuclides. - Non-Newtonian Fluid modeling for sludge, waste tanks, etc. ADAMS ML071581053 (titled 'Best Practice Guidelines for the use of CFD in Nuclear Reactor Safety Applications') poses guidelines for applying single phase CFD codes in nuclear reactor safety problems and GOTHIC is listed as a 'tool for 3D flows' and 'dispersal and deposition of radionuclides.' The Nuclear Quality Assurance (NQA) pedigree of GOTHIC is an important aspect for applications in the nuclear industry. The fundamental tracer models (convective transport, molecular and turbulent diffusion, removal mechanisms, etc.) have been verified using analytical solutions and validated against applicable separate effects tests. Also, GOTHIC has been benchmarked to many integrated effects tests, including Phebus FP (Fission Product). GOTHIC gives good agreement for the buildup and decay of fission products in Phebus Test 3. The model developed by ZNE demonstrates GOTHIC's applicability and acceptability for use in analyzing the migration and retention of radioactive isotopes and their progeny in normal operation and accident scenario analyses for isotope production facilities, hot cells, and gloveboxes. The tracer activities calculated by GOTHIC can then be used in downstream radiation transport and shielding codes like RADTRAD-NAI{sup C}, MCNP{sup R}, and MicroShield{sup R} to determine on-site and of-site doses. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

ORNL Package Testing Program Overview

Radioactive materials are widespread in our everyday activities which are used in many different types of industries: Consumer products, Medicine, Industry, Energy, and Defense. In the United States there is about 3 million shipments of radioactive materials per year. With radioactive material being very widespread the number of new applications to ship these quantities increases daily. As such, ensuring the safe and secure transport of these materials is paramount, necessitating stringent packaging, transportation, and certification requirements. Shipments of radioactive materials have been made from Oak Ridge National Laboratory (ORNL) for the past 65 years. Since the 1940s ORNL has been at the forefront of the early development of regulations pertaining to the transport of radioactive shipments and associated regulatory testing. The early involvement resulted in ORNL being one of the leaders in the development of regulations and testing standards pertaining to the testing and design of packages. Today all package testing activities are conducted under the Package Testing Program (PTP) at ORNL at the Package Evaluation Facility (PEF). The PTP develops and evaluates testing solutions – ensuring that they are safe, efficient, and meet regulatory requirements ORNL PTP has extensive experience in the regulatory testing of radioactive material packages, supporting certification of Type A, Type, B, Type AF, and special form packages. The PEF serves as a one-stop-shop for design, testing, and certification of a wide variety of packages needed for shipment of radioactive materials. The facility provides the space, expertise, and equipment necessary to conduct rigorous performance testing under both normal and accident conditions or transport environments including free drop, dynamic crush, puncture, penetration, compression, vibration, water spray, water immersion, and thermal test. The PTP remains a key contributor to the safety and compliance of radioactive material transportation. This presentation will provide an overview of the program’s history, capabilities, and its ongoing role in advancing regulatory standards and transportation safety.

Martinez, Oscar [ORNL] (ORCID:0000000181814046)↗

Charting the unknown: A dive into the world of standards mapping

When you hear standards mapping what do you think about? For the Secure Software Central (SSC) project this means comparing our process to the National Institute of Standards and Technology’s (NIST) security control catalog. So how is it done? The project completed this summer can be broken down into three simple phases. Phase one consists of mapping the SSC process to the NIST’s security control catalog. While phase two entails mapping mitigations from a threat profile to NIST. Lastly phase three requires the creation of a knowledge base allowing for the reuse of controls across numerous projects This project presented a few different challenges: locating the correct control within the NIST catalog while correctly matching the proposed mitigations from the SSC team, accurately leveling the mitigation to the security level of the system, creating a toolbox to showcase a dataset of mitigations and standards to be used in current and future projects. each challenge allowed for opportunities in growth and understanding of how security controls can map to a governing set of standards. These standards maps are a crucial element to support the insights provided by the SSC team and allow the client to have confidence in the work being completed. My internship has allowed me to set and achieve many goals such as coming to understand that the field of cybersecurity truly is the right place for me. I have also learned that it’s ok to be wrong if you learn something from it. For significant accomplishments I have helped integrate standards mapping into the fabric of SSC. The field experience that I have gained such as interacting with the SSC team along with other senior staff and building a good rapport are crucial skills to. This time at PNNL has been an irreplaceable experience.

42 ENGINEERING↗

Approach for the isotopic characterization of irradiated start-up sources for disposal at WIPP - 15674

The National Nuclear Security Administration, Global Threat Reduction Initiative (GTRI)/ Off-site Source Recovery Program (OSRP) requires an approved final disposition pathway for sealed irradiated startup sources with uncertain irradiation histories. To create this path a reliable method is required to determine yields of transmutation, fission and activation products contained within the source at the time of disposal. Because of the uncertain histories of these sources, a number of likely histories are modeled with the code ORIGEN in order to establish the bounds of the radioisotope yields. The ORIGEN simulations are confirmed with gamma spectroscopy, specifically examining the activities of several fission and transmutation isotopes. These calculations, coupled with other previously established characterization techniques for transuranic neutron sources, will be used to establish a waste profile that is in compliance with Waste Isolation Pilot Plant (WIPP) waste acceptance criteria. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗