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AVESTAR Center for Operational Excellence of Electricity Generation Plants

To address industry challenges in attaining operational excellence for electricity generation plants, the U.S. Department of Energy’s (DOE) National Energy Technology Laboratory (NETL) has launched a world-class facility for Advanced Virtual Energy Simulation Training and Research (AVESTARTM). This presentation will highlight the AVESTARTM Center simulators, facilities, and comprehensive training, education, and research programs focused on the operation and control of high-efficiency, near-zero-emission electricity generation plants. The AVESTAR Center brings together state-of-the-art, real-time, high-fidelity dynamic simulators with full-scope operator training systems (OTSs) and 3D virtual immersive training systems (ITSs) into an integrated energy plant and control room environment. AVESTAR’s initial offering combines--for the first time--a “gasification with CO2 capture” process simulator with a “combined-cycle” power simulator together in a single OTS/ITS solution for an integrated gasification combined cycle (IGCC) power plant with carbon dioxide (CO2) capture. IGCC systems are an attractive technology option for power generation, especially when capturing and storing CO2 is necessary to satisfy emission targets. The AVESTAR training program offers a variety of courses that merge classroom learning, simulator-based OTS learning in a control-room operations environment, and immersive learning in the interactive 3D virtual plant environment or ITS. All of the courses introduce trainees to base-load plant operation, control, startups, and shutdowns. Advanced courses require participants to become familiar with coordinated control, fuel switching, power-demand load shedding, and load following, as well as to problem solve equipment and process malfunctions. Designed to ensure work force development, training is offered for control room and plant field operators, as well as engineers and managers. Such comprehensive simulator-based instruction allows for realistic training without compromising worker, equipment, and environmental safety. It also better prepares operators and engineers to manage the plant closer to economic constraints while minimizing or avoiding the impact of any potentially harmful, wasteful, or inefficient events. The AVESTAR Center is also used to augment graduate and undergraduate engineering education in the areas of process simulation, dynamics, control, and safety. Students and researchers gain hands-on simulator-based training experience and learn how the commercial-scale power plants respond dynamically to changes in manipulated inputs, such as coal feed flow rate and power demand. Students also analyze how the regulatory control system impacts power plant performance and stability. In addition, students practice start-up, shutdown, and malfunction scenarios. The 3D virtual ITSs are used for plant familiarization, walk-through, equipment animations, and safety scenarios. To further leverage the AVESTAR facilities and simulators, NETL and its university partners are pursuing an innovative and collaborative R&D program. In the area of process control, AVESTAR researchers are developing enhanced strategies for regulatory control and coordinated plant-wide control, including gasifier and gas turbine lead, as well as advanced process control using model predictive control (MPC) techniques. Other AVESTAR R&D focus areas include high-fidelity equipment modeling using partial differential equations, dynamic reduced order modeling, optimal sensor placement, 3D virtual plant simulation, and modern grid. NETL and its partners plan to continue building the AVESTAR portfolio of dynamic simulators, immersive training systems, and advanced research capabilities to satisfy industry’s growing need for training and experience with the operation and control of clean energy plants. Future dynamic simulators under development include natural gas combined cycle (NGCC) and supercritical pulverized coal (SCPC) plants with post-combustion CO2 capture. These dynamic simulators are targeted for use in establishing a Virtual Carbon Capture Center (VCCC), similar in concept to the DOE’s National Carbon Capture Center for slipstream testing. The VCCC will enable developers of CO2 capture technologies to integrate, test, and optimize the operation of their dynamic capture models within the context of baseline power plant dynamic models. The objective is to provide hands-on, simulator-based “learn-by-operating” test platforms to accelerate the scale-up and deployment of CO2 capture technologies. Future AVESTAR plans also include pursuing R&D on the dynamics, operation, and control of integrated electricity generation and storage systems for the modern grid era. Special emphasis will be given to combining load-following energy plants with renewable and distributed generating supplies and fast-ramping energy storage systems to provide near constant baseload power.

97 MATHEMATICS AND COMPUTING↗

Survival of Juvenile Chinook Salmon during Barge Transport

To mitigate for fish losses related to passage through the Federal Columbia River Power System, an extensive fish transportation program using barges and trucks to move fish around and downstream of dams and reservoirs was implemented in 1981. Population modeling and other analyses to support Pacific salmon recovery efforts have assumed that the survival of juvenile salmonids during the transportation experience was 98%. To estimate survival during barge transport from Lower Granite Dam on the Snake River to a release area downstream of Bonneville Dam, a distance of 470 km, we used a novel adaptation of a release-recapture model with acoustic-tagged yearling Chinook salmon (Oncorhynchus tshawytscha) smolts. A total of 1,494 yearling Chinook salmon were surgically implanted with Juvenile Salmon Acoustic Telemetry System (JSATS) acoustic transmitters and passive integrated transponders (PIT) and divided into three groups. The three tagged groups consisted of; (1) a group which was released into the raceway with the population of fish which were later loaded into transportation barges (R{sub B}), (2) a group which was held in a net-pen suspended within the general barge population until 5-6 h prior to barge evacuation, at which time they were confirmed to be alive and then released into the general barge population (R{sub A}), and (3) to validate a model assumption, a group which was euthanized and released into the barge population 2-8 h prior to barge evacuation (R{sub D}). Six replicates of these groups were loaded onto fish transport barges that departed Lower Granite Dam on the Snake River between 29 April and 13 May, 2010. Acoustic receiver arrays between 70 and 220 km downstream of the barge evacuation site were used to detect tagged fish and served as the basis for estimation of survival within the barge. Tag-life-corrected estimates of reach survival were calculated for barged and control fish in each of the six replicate trials. The ratio of survival from release to Rkm 153 for barged fish relative to control fish provided the estimate of within-barge survival. The replicate survival estimates ranged from 0.9503 (SE = 0.0253) to 1.0003 (SE = 0.0155). The weighted average of the replicate estimates of within-barge survival was computed to be = 0.9833 (SE = 0.0062). This study provides the first documentation that assumed survival of 98% inside barges during yearling Chinook salmon smolt transport appears to be justified. Survival of other species or stocks by barge or for any species/stock by truck remains unknown.

13 HYDRO ENERGY↗

A Path to Operating System and Runtime Support for Extreme Scale Tools

In this project, we cast distributed resource access as operations on files in a global name space and developed a common, scalable solution for group operations on distributed processes and files. The resulting solution enables tool and middleware developers to quickly create new scalable software or easily improve the scalability of existing software. The cornerstone of the project was the design of a new programming idiom called group file operations that eliminates iterative behavior when a single process must apply the same set of file operations to a group of related files. To demonstrate our novel and scalable ideas for group file operations and global name space composition, we developed a group file system called TBON-FS that leverages a tree-based overlay network (TBON), specifically MRNet, for logarithmic communication and distributed data aggregation. We also developed proc++, a new synthetic file system co-designed for use in scalable group file operations. Over the course of the project, we evaluated the utility and performance of group file operations, global name space composition, TBON-FS, and proc++ in three case studies. The first study focused on the ease in using group file operations and TBON-FS to quickly develop several new scalable tools for distributed system administration and monitoring. The second study evaluated the integration of group file operation and TBON-FS within the Ganglia Distributed Monitoring System to improve its scalability for clusters. The final study involved the integration of group file operations, TBON-FS, and proc++ within TotalView, the widely-used parallel debugger. For this project, the work of the Oak Ridge National Laboratory (ORNL) team occurred primarily in two directions: bringing the MRNet tree-based overlay network (TBON) implementation to the Cray XT platform, and investigating techniques for predicting the performance of MRNet topologies on such systems. Rogue Wave Software (RWS), formerly TotalView Technologies Inc., worked with the University ofWisconsin (UW) team on the design and prototyping of a scalable version of the TotalView debugger. RWS assisted UW with their "proc++" design effort. RWS assisted UW with strategy for integrating proc++ into TotalView.

97 MATHEMATICS AND COMPUTING↗

DIII-D research towards resolving key issues for ITER and steady-state tokamaks

The DIII-D research program is addressing key ITER research needs and developing the physics basis for future steady-state tokamaks. Pellet pacing edge-localized mode (ELM) control in the ITER configuration reduces ELM energy loss in proportion to 1/f pellet by inducing ELMs at up to 12× the natural ELM rate. Complete suppression of ELMs with resonant magnetic perturbations has been extended to the q 95 expected for ITER baseline scenario discharges, and long-duration ELM-free QH-mode discharges have been produced with ITER-relevant co-current neutral-beam injection (NBI) using external n = 3 coils to generate sufficient counter-I p torque. ITER baseline discharges at β N ~ 2 and scaled NBI torque have been maintained in stationary conditions for more than four resistive times using electron cyclotron current drive (ECCD) for tearing mode suppression and disruption avoidance; active tracking with steerable launchers and feedback control catch these modes at small amplitude, reducing the ECCD power required to suppress them. Massive high-Z gas injection into disruption-induced 300–600 kA 20MeV runaway electron (RE) beams yield dissipation rates ~10$\times$ faster than expected from e–e collisions and demonstrate the possibility of benign dissipation of such REs should they occur in ITER. Other ITER-related experiments show measured intrinsic plasma torque in good agreement with a physics-based model over a wide range of conditions, while first-time main-ion rotation measurements show it to be lower than expected from neoclassical theory. Core turbulence measurements show increased temperature fluctuations correlated with sharply enhanced electron transport when $∇T_e/T^{–1}_e$ exceeds a critical-gradient scale length. In H-mode, data show the pedestal height and width growing between ELMs with ∇P at the computed kinetic-ballooning limit, in agreement with the EPED model. Successful modification of a neutral-beam line to provide 5MW of adjustable off-axis injection has enabled sustained operation at βN ~ 3 with broader current and pressure profiles at higher q min than previously possible, though energy confinement is lower than expected. Overall, initial experiments aimed at developing integrated core and boundary solutions demonstrated heat flux reduction using enhanced edge radiation from neon injection and innovative divertor geometries (e.g. snowflake configuration).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

SU-F-BRA-07: Dosimetric Verification of the Valencia Skin Applicator Using Gafchromic EBT3 Film

Purpose: The Valencia applicators have recently been introduced for HDR treatment of small and shallow superficial skin lesions (< 20 mm diameter and 3-mm depth). Per AAPM TG 56, any HDR applicator internal dimensions must be verified prior to clinical use. However radiographic and tomographic imaging to validate the Valencia applicators is impractical due to the Tungsten alloy housing and flattening filter. In this study, we propose to use EBT3 film to indirectly confirm the physical integrity of the Valencia applicators. Methods: Treatment plans were created using the Oncentra MasterPlan TPS v4.5 for the H2 (20-mm dia.) and H3 (30-mm dia.) Valencia Applicators. A virtual CT phantom (2-mm slice thickness) was created with one source position in water. The published effective depth method was used for each applicator to delivery 500 cGy to a 3-mm depth using the TG-43 formalism. Film measurements (n=3) at 3-mm depth and vertical plane in solid water were performed for each applicator to verify the prescribed dose calculated by the TPS. Percent depth dose curves and off-axis profiles (phantom surface and 3-mm depth) were measured and compared to published data. Films were analyzed using an in-house written program and RIT113 v6 software. Film calibration was performed per TG-55 protocol using the Ir-192 source with NIST-traceable calibration. Results: The prescription absolute dose difference was 1% for the Valencia H2 applicator and 4% for the Valencia H3 applicator. The measured percent depth dose curves and off-axis dose profiles measured for the H2 and H2 Valencia applicators are in excellent agreement with the Granero et al. Monte Carlo results{sup 1}. Conclusion: Gafchromic EBT3 film can be used to indirectly verify the internal components of special HDR skin applicators constructed from high Z materials.{sup 1}Granero et al. “Design and evaluation of a HDR skin applicator with flattening filter”, Med. Phys. 35(2), 495–503, 2008.

60 APPLIED LIFE SCIENCES↗

Cryptographic Key Management and Critical Risk Assessment

The Department of Energy Office of Electricity Delivery and Energy Reliability (DOE-OE) CyberSecurity for Energy Delivery Systems (CSEDS) industry led program (DE-FOA-0000359) entitled "Innovation for Increasing CyberSecurity for Energy Delivery Systems (12CSEDS)," awarded a contract to Sypris Electronics LLC to develop a Cryptographic Key Management System for the smart grid (Scalable Key Management Solutions for Critical Infrastructure Protection). Oak Ridge National Laboratory (ORNL) and Sypris Electronics, LLC as a result of that award entered into a CRADA (NFE-11-03562) between ORNL and Sypris Electronics, LLC. ORNL provided its Cyber Security Econometrics System (CSES) as a tool to be modified and used as a metric to address risks and vulnerabilities in the management of cryptographic keys within the Advanced Metering Infrastructure (AMI) domain of the electric sector. ORNL concentrated our analysis on the AMI domain of which the National Electric Sector Cyber security Organization Resource (NESCOR) Working Group 1 (WG1) has documented 29 failure scenarios. The computational infrastructure of this metric involves system stakeholders, security requirements, system components and security threats. To compute this metric, we estimated the stakes that each stakeholder associates with each security requirement, as well as stochastic matrices that represent the probability of a threat to cause a component failure and the probability of a component failure to cause a security requirement violation. We applied this model to estimate the security of the AMI, by leveraging the recently established National Institute of Standards and Technology Interagency Report (NISTIR) 7628 guidelines for smart grid security and the International Electrotechnical Commission (IEC) 63351, Part 9 to identify the life cycle for cryptographic key management, resulting in a vector that assigned to each stakeholder an estimate of their average loss in terms of dollars per day of system operation. To further address probabilities of threats, information security analysis can be performed using game theory implemented in dynamic Agent Based Game Theoretic (ABGT) simulations. Such simulations can be verified with the results from game theory analysis and further used to explore larger scale, real world scenarios involving multiple attackers, defenders, and information assets. The strategy for the game was developed by analyzing five electric sector representative failure scenarios contained in the AMI functional domain from NESCOR WG1. From these five selected scenarios, we characterized them into three specific threat categories affecting confidentiality, integrity and availability (CIA). The analysis using our ABGT simulation demonstrated how to model the AMI functional domain using a set of rationalized game theoretic rules decomposed from the failure scenarios in terms of how those scenarios might impact the AMI network with respect to CIA.

Advanced Metering Infrastructure↗

SU-E-T-63: Carotid Sparing Tomohelical Three Dimensional Conformal Radiotherapy for T1N0 Glottic Cancer

Purpose: We investigated the dosimetric benefit and treatment efficiency of carotid-sparing TomoHelical (TH) three-dimensional conformal radiotherapy (3DCRT) for early glottic cancer. Methods: Computed tomography (CT) simulation was performed for 10 patients with early-stage (T1N0M0) glottic squamous cell carcinoma. The clinical target volume, planning target volume (PTV), carotid artery (CA), and spinal cord (SP) were delineated for each CT data set. Two-field 3DCRT (2F-3DCRT), three-field intensity-modulated radiation therapy (IMRT) (3F-IMRT), TomoHelical-IMRT (TH-IMRT), and TH-3DCRT plans were generated, with a total prescribed dose of 67.5 Gy in 30 fractions to the PTV for each patient. In order to evaluate plan quality, dosimetric characteristics were compared in terms of the conformity index (CI) and homogeneity index (HI) for the PTV, V35, V50, and V63 for the CAs and in terms of the maximum dose for the SP. Additionally, treatment planning and delivery times were compared to evaluate treatment efficiency. Results: The CIs for 3F-IMRT (0.650±0.05), TH-IMRT (0.643±0.03), and TH-3DCRT (0.631±0.03) were much better than that for 2F-3DCRT (0.318±0.03). The HIs for TH-IMRT (1.053±0.01) and TH-3DCRT (1.055±0.01) were slightly better than those for 2F-3DCRT (1.062±0.01) and 3F-IMRT (1.091±0.007). 2F-3DCRT showed poor CA sparing in terms of the V35, V50, and V63 compared to 3F-IMRT, TH-IMRT, and TH-3DCRT (p<0.05), whereas there was no significant dose difference between 3F-IMRT, TH-IMRT, and TH-3DCRT (p>0.05). The maximum dose to the SP with all plans was below 45 Gy. The treatment planning times for 2F-3DCRT (5.9±0.66 min) and TH-3DCRT (7.32±0.94 min) were much lower than those for 3F-IMRT (45.51±2.76 min) and TH-IMRT (35.58±4.41 min), whereas the delivery times with all plans was below 3 minutes. Conclusion: TH-3DCRT showed excellent carotid sparing capability, comparable to that with TH-IMRT, with high treatment efficiency and short planning and treatment times, comparable to those for 2F-3DCRT, while maintaining good PTV coverage. This work was supported by the Technology Innovation Program, 10040362, Development of an integrated management solution for radiation therapy funded by the Ministry of Knowledge Economy (MKE, Korea)

60 APPLIED LIFE SCIENCES↗

Centralized Cryptographic Key Management and Critical Risk Assessment - (CRADA Final Report)

The Department of Energy Office of Electricity Delivery and Energy Reliability (DOE-OE) Cyber Security for Energy Delivery Systems (CSEDS) industry led program (DE-FOA-0000359) entitled "Innovation for Increasing Cyber Security for Energy Delivery Systems (12CSEDS)," awarded a contract to Sypris Electronics LLC to develop a Cryptographic Key Management System for the smart grid (Scalable Key Management Solutions for Critical Infrastructure Protection). Oak Ridge National Laboratory (ORNL) and Sypris Electronics, LLC as a result of that award entered into a CRADA (NFE-11-03562) between ORNL and Sypris Electronics, LLC. ORNL provided its Cyber Security Econometrics System (CSES) as a tool to be modified and used as a metric to address risks and vulnerabilities in the management of cryptographic keys within the Advanced Metering Infrastructure (AMI) domain of the electric sector. ORNL concentrated our analysis on the AMI domain of which the National Electric Sector Cyber security Organization Resource (NESCOR) Working Group 1 (WG1) has documented 29 failure scenarios. The computational infrastructure of this metric involves system stakeholders, security requirements, system components and security threats. To compute this metric, we estimated the stakes that each stakeholder associates with each security requirement, as well as stochastic matrices that represent the probability of a threat to cause a component failure and the probability of a component failure to cause a security requirement violation. We applied this model to estimate the security of the AMI, by leveraging the recently established National Institute of Standards and Technology Interagency Report (NISTIR) 7628 guidelines for smart grid security and the International Electrotechnical Commission (IEC) 63351, Part 9 to identify the life cycle for cryptographic key management, resulting in a vector that assigned to each stakeholder an estimate of their average loss in terms of dollars per day of system operation. To further address probabilities of threats, information security analysis can be performed using game theory implemented in dynamic Agent Based Game Theoretic (ABGT) simulations. Such simulations can be verified with the results from game theory analysis and further used to explore larger scale, real world scenarios involving multiple attackers, defenders, and information assets. The strategy for the game was developed by analyzing five electric sector representative failure scenarios contained in the AMI functional domain from NESCOR WG1. From these five selected scenarios, we characterized them into three specific threat categories affecting confidentiality, integrity and availability (CIA). The analysis using our ABGT simulation demonstrated how to model the AMI functional domain using a set of rationalized game theoretic rules decomposed from the failure scenarios in terms of how those scenarios might impact the AMI network with respect to CIA.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Natural Hazard Forecast Alert Grid Risk System

Weather events cause most power outages. Often, we even get notifications on our phones to take cover or be prepared for an imminent event. If electric grid utilities had a similar warning that also included probable scenarios and the equipment involved, they could prepare and minimize the effects. Idaho National Laboratory had a project with the U.S. Department of Energy’s Cybersecurity, Energy Security, and Emergency Response program to develop a grid alert application that receives messages from the existing emergency alert system, filters and determines components possibly affected by the emergency event, calculates probable scenarios using MASTERRI (Modeling And Simulation for Targeted Reliability and Resilience Improvement). For high-risk events, the application can then send alert links to subscribed electric distribution utility operations staff to allow them to see and evaluate the scenarios and the impact in a web based interactive map tool. This proof of concept application used data from utilities and organizations, such as the international regulatory body North American Electric Reliability Corporation, which have complied historical failure data of elements that comprise the U.S. electric grid. Nominal failure rates are obtained from this data. To make this tool possible, estimated failure rates were calculated for different component types given the alert type, severity, and location. Historic weather-related grid element failures were correlated with historic weather events from the Integrated Public Alert & Warning System. These correlated events and failures are used along with Bayesian updates from the historical norms to provide a modified failure rate for grid elements in the alert areas and calculate probable scenarios. Working with an industry collaborator, actual grid models and data were used for demonstration cases. This report outlines the work performed for this project.

24 - POWER TRANSMISSION AND DISTRIBUTION↗

Designing and prototyping extensions to the Message Passing Interface in MPICH

As HPC system architectures and the applications running on them continue to evolve, the MPI standard itself must evolve. The trend in current and future HPC systems toward powerful nodes with multiple CPU cores and multiple GPU accelerators makes efficient support for hybrid programming critical for applications to achieve high performance. However, the support for hybrid programming in the MPI standard has not kept up with recent trends. The MPICH implementation of MPI provides a platform for implementing and experimenting with new proposals and extensions to fill this gap and to gain valuable experience and feedback before the MPI Forum can consider them for standardization. Here, in this work, we detail six extensions implemented in MPICH to increase MPI interoperability with other runtimes, with a specific focus on heterogeneous architectures. First, the extension to MPI generalized requests lets applications integrate asynchronous tasks into MPI’s progress engine. Second, the iovec extension to datatypes lets applications use MPI datatypes as a general-purpose data layout API beyond just MPI communications. Third, a new MPI object, MPIX_Stream, can be used by applications to identify execution contexts beyond MPI processes, including threads and GPU streams. MPIX stream communicators can be created to make existing MPI functions thread-aware and GPU-aware, thus providing applications with explicit ways to achieve higher performance. Fourth, MPIX Streams are extended to support the enqueue semantics for offloading MPI communications onto a GPU stream context. Fifth, thread communicators allow MPI communicators to be constructed with individual threads, thus providing a new level of interoperability between MPI and on-node runtimes such as OpenMP. Lastly, we present an extension to invoke MPI progress, which lets users spawn progress threads with fine-grained control to adapt the communication performance to their application designs. We describe the design and implementation of these extensions, provide usage examples, and highlight their expected benefits with performance results.

97 MATHEMATICS AND COMPUTING↗

Meeting the Challenges of Modern Transit through the Integration of Traditional Transit, On-Demand Micro-Transit Services and Vehicle Automation - A Case Study in Chandler, Arizona

Current technology trends of vehicle automation, electrification and on-demand transit are providing new tools to develop effective public mobility services, yet need to be balanced with traditional modes to serve the spectrum of demand effectively and efficiently. Automated vehicle transportation network company (TNC) services, better known as 'Robotaxis' are beginning to proliferate and scale across the US, with Waymo as the lead commercial entity. Chandler, AZ was the first fully automated deployment of Waymo technology. Chandler was also one of the first municipalities in Arizona to roll out micro-transit service to its citizens in 2022. At present the Chandler Flex micro-transit program is beginning to partner with Waymo to augment micro-transit services during peak demands, another first in the nation. However, the mix of services in Chandler relies not only on new technology, but also on traditional modes including fixed route transit and para-transit services. These are blended and balanced such that both old and new modes are applied within the context in which each excel. This presentation will provide background on the Chandler, AZ public mobility services, and the performance metrics that govern their use and selection within the spectrum of development and population density as well as socio-demographics within Chandler. Additionally, the behavioral response of the use of unmanned, automated vehicles employed to augment micro-transit is novel, the first in the nation - and initial feedback from public transit constituents in Chandler will be shared.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Multiphysics Demonstration of Temperature-Driven Assembly Bowing in SFRs using MOOSE-Based Codes

Core bowing is an important passive safety mechanism in liquid metal cooled fast reactors. When the core restraint system is properly designed, temperature and flux gradients influence assemblies in the core to bow into less reactive configurations during accident scenarios, resulting in negative reactivity feedback. Prediction of core bowing involves complex interplay of radiation transport, impacts of fluid flow and heat transfer on duct temperature, and mechanical responses to the induced temperature and flux gradients. Under the U.S. Department of Energy Office of Nuclear Energy’s Advanced Modeling and Simulation (NEAMS) Program [1], an integrated multiphysics approach is being developed to model the core bowing phenomena in liquid metal-cooled fast reactors with the Multiphysics Object Oriented Simulation Environment (MOOSE) [2]. In this methodology, the MOOSE-based reactor physics code Griffin [3] will solve the neutron transport equation and determine the power distribution. With the detailed power distribution from Griffin, the subchannel analysis codes MOOSE-Subchannel [4] and Pronghorn [5] are utilized to calculate the assembly temperature distribution. MOOSE’s Solid Mechanics [6] and Contact [7] Modules are leveraged to calculate the thermal expansion and duct bowing displacement with the duct wall temperature from thermal hydraulics calculation. In this work, an initial one-way coupling demonstration of the integrated multiphysics approach has been performed on a seven-assembly problem based on the sodium-cooled fast reactor ABR-1000 design [8]. The neutronics calculation with Griffin is not yet involved in the current simulation. MOOSE-Subchannel and Pronghorn evaluate fluid and solid temperature based on a fixed power distribution. In addition, one-way coupling is utilized in this coupled calculation, via Pronghorn passing the duct temperature data to the MOOSE Solid Mechanics calculation. An assessment of the Solid Mechanics module was performed in parallel to verify duct bowing behavior with duct-to-duct contact phenomenon [9]. The displacement from MOOSE Solid Mechanics is not yet transferred back and utilized in the Pronghorn and MOOSE-Subchannel calculation. This model will be available on the National Reactor Innovation Center (NRIC) Virtual Test Bed (VTB) repository [10]. Future stages of this work will involve solving problems of increasing complexity as well as adding more physics (e.g. reactor physics) to the integrated workflow to reach the end goal of modeling the core bowing phenomenon with an integrated multiphysics workflow.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

A Surveillance Infrastructure for Malaria Analytics: Provisioning Data Access and Preservation of Interoperability

Background: According to the World Health Organization, malaria surveillance is weakest in countries and regions with the highest malaria burden. A core obstacle is that the data required to perform malaria surveillance are fragmented in multiple data silos distributed across geographic regions. Furthermore, consistent integrated malaria data sources are few, and a low degree of interoperability exists between them. As a result, it is difficult to identify disease trends and to plan for effective interventions. Objective: We propose the Semantics, Interoperability, and Evolution for Malaria Analytics (SIEMA) platform for use in malaria surveillance based on semantic data federation. Using this approach, it is possible to access distributed data, extend and preserve interoperability between multiple dynamic distributed malaria sources, and facilitate detection of system changes that can interrupt mission-critical global surveillance activities. Methods: We used Semantic Automated Discovery and Integration (SADI) Semantic Web Services to enable data access and improve interoperability, and the graphical user interface-enabled semantic query engine HYDRA to implement the target queries typical of malaria programs. We implemented a custom algorithm to detect changes to community-developed terminologies, data sources, and services that are core to SIEMA. This algorithm reports to a dashboard. Valet SADI is used to mitigate the impact of changes by rebuilding affected services. Results: We developed a prototype surveillance and change management platform from a combination of third-party tools, community-developed terminologies, and custom algorithms. We illustrated a methodology and core infrastructure to facilitate interoperable access to distributed data sources using SADI Semantic Web services. This degree of access makes it possible to implement complex queries needed by our user community with minimal technical skill. We implemented a dashboard that reports on terminology changes that can render the services inactive, jeopardizing system interoperability. Using this information, end users can control and reactively rebuild services to preserve interoperability and minimize service downtime. Conclusions: We introduce a framework suitable for use in malaria surveillance that supports the creation of flexible surveillance queries across distributed data resources. The platform provides interoperable access to target data sources, is domain agnostic, and with updates to core terminological resources is readily transferable to other surveillance activities. A dashboard enables users to review changes to the infrastructure and invoke system updates. The platform significantly extends the range of functionalities offered by malaria information systems, beyond the state-of-the-art.

60 APPLIED LIFE SCIENCES↗

Initial CEED API (CEED-MS10)

Key components of CEED software development involve fast finite element operator storage and evaluation, architecture optimizations, performant algorithms for all orders, global kernels for finite element operators, efficient use of the memory sub-system, optimal data locality and motion, enhanced scalability and parallelism, and fast tensor contractions. As ultimate goals of the project, CEED is exploring and identifying the best algorithms for the full range of discretizations and applying algorithmic and software development to support ECP applications’ needs. In this milestone, we initiated the development and implementation of a common CEED API consisting of two main components: low-level and high-level APIs. We accomplished the goal of having the low-level component ready for the release of CEED v1.0 in the next quarter, see CEED-MS13. In this report we also provide a highlight from CEED’s integration with the MARBL app and the corresponding Laghos miniapp. A main theme in this work has been the systematic transition of advanced algorithms, developed and tested in Laghos, to the large-scale multi-physics settings of the MARBL code. The low-level CEED API provides a set of FE kernels and components for writing new low-level kernels. Examples include: vector and sparse linear algebra, element matrix assembly over a batch of elements, partial assembly and action for efficient high-order operators like mass, diffusion, advection, etc. The main goal of the low-level API is to establish the basis for the high-level API. Also, identifying such low-level kernels and providing a reference implementation for them serves as the basis for collaboration with vendors and STs. Another goal for the low-level API is to make it easy for applications with their own discretization infrastructure, who do not want to switch directly to using the high-level CEED API, to still evaluate and use the core operations provided by the low-level API. One of the challenges with high-order methods is that a global sparse matrix is no longer a good representation of a high-order linear operator, both with respect to the FLOPs needed for its evaluation, as well as the memory transfer needed for a matvec. Thus, another important question we tried to address while developing the low-level API is: is it possible to abstract out in a natural and efficient way the different implementations and data structures that arise when dealing with various computational device types: CPUs, GPUs, etc. Fully answering this question is beyond the scope of this particular milestone, since that requires longer time as we develop and expand the devices we support. The future high-level API will be the frontend provided by CEED consisting of high-level abstractions such as meshes, finite element spaces and solutions, bilinear forms, solvers, etc. At this high-level, an important aspect of the API will be to provide a uniform abstraction layer for writing code in a portable manner. To achieve that, we plan to utilize the MPI programming model combined with a device abstraction layer (DAL) for finite element computations that we will develop. The DAL will serve as the bridge between the low- and the high-level APIs, allowing a variety of programming models to be used for the low-level kernel implementations. The software artifacts delivered as part of this milestone include an initial CEED API software implementation (libCEED) provided through the CEED website, http://ceed.exascaleproject.org and the CEED GitHub organization, http://github.com/ceed. In addition to details and results from the above R&D efforts, in this document we are also reporting on other project-wide activities performed in Q1 of FY18, including: the Nek5000 v17.0 MFEM v3.3.2 and PETSc v3.8 releases, collaborations with ECP/ST and SciDAC projects, the inaugural Nek5000 hackathon and various outreach activities.

97 MATHEMATICS AND COMPUTING↗

Assessment of the Griffin Reactor Multiphysics Application Using the Empire Micro Reactor Design Concept

In late 2019, INL and ANL agreed to jointly develop the reactor physics code named Griffin based on the integration of the two code suites, MAMMOTH/Rattlesnake (INL) and MC2 - 3/PROTEUS (ANL). Griffin is being developed based on the MOOSE framework and MOOSE quality assurance procedures. This decision was made to be able to allow DOE-NE to efficiently invest funding to this area and to provide effective and timely support for existing and potential users; the latter includes industry and government organizations who are developing various types of advanced reactors in the near and long term. Since MAMMOTH/Rattlesnake has been developed based on the MOOSE framework, the INL/ANL Griffin development team agreed to build Griffin beginning with a merger of MAMMOTH and Rattlesnake into a single code and moving forward by implementing capabilities from the PROTEUS suite into Griffin. Moving forward, both ANL and INL efforts are equally invested in the Griffin project, with management support, to provide an advanced reactor multiphysics tool to assist in reactor design, optimization, and safety analysis. Much work remains in moving Griffin forward to migrate PROTEUS capabilities and to optimize performance to meet user needs. The main objective of this work is to assess the current status of Griffin capabilities in terms of performance and accuracy, to determine priorities for PROTEUS migration, and to identify capabilities and features to improve for supporting the code integration effort. For this assessment, the Empire micro reactor problem that was developed in the ARPA-E MEITNER program was selected as an advance reactor concept of interest to the technical community. The Empire reactor problem was expanded from its original incomplete specification to be a small heat-pipe-cooled micro reactor core with ~113 cm radius and 70 cm in height, composed of 18 fuel assemblies, 12 control drums, and beryllium radial and axial reflectors. In the current model, using 5 cm axial reflectors specified in the original Empire assembly model, more than 10% of neutrons leak axially and through the empty center safety hole, as well as through heat pipe channels in fuel assembly elements that extend through the top reflector region. Several calculation models of the core were defined for systematic assessment, including 2-D and 3-D fuel assemblies and whole cores with cylindrical boundaries. Cross sections were generated using Serpent 2, and meshes were produced using the Argonne mesh tool or the INL neutronics meshing tools combined with CUBIT. Cross sections and meshes were converted to the ISOXML and Exodus formats, respectively, so that Griffin and PROTEUS could use consistent data for solving the reactor problems. With the prepared cross sections and meshes, PROTEUS was run first to ensure that all input data were correctly generated and input options in terms of angle, mesh, and energy group were accurately determined. Comparisons against Serpent 2 solutions were made in terms of eigenvalue and pin power. The same calculations and comparisons were then conducted using Griffin. For the fuel assembly and whole core problems, the PROTEUS eigenvalues agreed well with reference Serpent 2 solutions within 100 and 30 pcm, respectively, and pin power differences relative to Serpent 2 were overall less than 2.2% and RMS 0.8% for the whole core models. This indicated that all input data were properly prepared. Using the same data, Griffin was run selecting the SAAF-CFEM SN solver with Legendre-Gaussian quadrature and NDA and DSA for acceleration. It was found that the SAAF-CFEM solver of Griffin required finer meshes to achieve eigenvalue and pin power solutions in good agreement with Serpent 2, consequently requiring more memory requirement and longer computation time. On the other hand, the SPH-Diffusion 2-D core calculations performed using Griffin were able to recover the exact eigenvalue from the reference Serpent 2 solutions, resulting in a pin-power distribution with an RMS of 0.6% and maximum absolute difference of less than 1.4%. The runtimes for SPH-Diffusion for the 2-D core were less than 3 minutes on 40 cores. During this evolution of this evaluation, many updates were made in Griffin by the Griffin development team of INL (focusing on software updates) and ANL (reviewing and supporting software updates) to complete this assessment. Observations from the code assessment are presented in the conclusion section of this report, followed by a discussion of recommendations for future work.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Author Correction: Expanded encyclopaedias of DNA elements in the human and mouse genomes

In the version of this article initially published, two members of the ENCODE Project Consortium were missing from the author list. Rizi Ai (Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, CA, USA) and Shantao Li (Program in Computational Biology and Bioinformatics, Yale University, New Haven, CT, USA) are now included in the author list. These errors have been corrected in the online version of the article.

59 BASIC BIOLOGICAL SCIENCES↗

Analysis of Cavern and Well Stability at the West Hackberry SPR Site Using a Full-Dome Model

This report presents computational analyses that simulate the structural response of caverns at the Strategic Petroleum Reserve (SPR) West Hackberry site. The cavern field comprises 22 caverns. Five caverns (6, 7, 8, 9, 11) were acquired from industry and have unusual shapes and a history dating back to 1946. The other 17 caverns (101-117) were leached according to SPR standards in the mid-1980s and have tall cylindrical shapes. The history of the caverns and their shapes are simulated in a three-dimensional geomechanics model of the site that predicts deformations, strains, and stresses. Future leaching scenarios corresponding to oil drawdowns using fresh water are also simulated by increasing the volume of the caverns. Cavern pressures are varied in the model to capture operational practices in the field. The results of the finite element model are interpreted to provide information on the current and future status of subsidence, well integrity, and cavern stability. The most significant results in this report are relevant to Cavern 6. The cavern is shaped like a bowl with a large ceiling span and is in close proximity to Cavern 9. The analyses predict tensile stresses at the edge of the ceiling during repressurization of Cavern 6 following workover conditions. During a workover the cavern is at low pressure to service a well. The wellhead pressures are atmospheric. When the workover is complete, the cavern is repressurized. The resulting elastic stresses are sufficient to cause tension around the edge of the large ceiling span. With time, these stresses relax to a compressive state because of salt creep. However, the potential for salt fracture and propagation exists, particularly towards Cavern 9. With only 200 feet of salt between the caverns, the operational consequences must be examined if the two caverns become connected. A critical time may be during a workover of Cavern 9 in part because of the operational vulnerabilities, but also because dilatant damage is predicted under the ledge that forms the lower lobe in the cavern. The remaining caverns have no significant issues regarding cavern stability and may be safely enlarged during subsequent oil drawdowns. Predicted well strains and subsidence are significant and consequently future remedial actions may be necessary. These predicted well strains certainly suggest appropriate monitoring through a well-logging program. Subsidence is currently being monitored.

02 PETROLEUM↗

Development of a Technology Roadmap for Online Monitoring of Nuclear Power Plants

The nuclear power industry has recently recognized the potential cost saving that can be achieved from migrating the current manual and labor dependent surveillance and preventive maintenance activities to data-driven online monitoring methods. Since then, several efforts have been launched with various degrees of momentum to tackle specific surveillance or preventive maintenance activities. The light water reactor sustainability program (LWRS) program has anticipated this need and launched an effort that aimed to develop a technology roadmap for the nuclear power industry. Because the roadmap has to be focused towards the user or application’s value, and because nuclear power plants have different process efficiencies and deficiencies, the technology roadmap has to be plant independent. Achieving this objective required optimizing the extent of details described by a technology roadmap. The approach followed is for the roadmap to describe the sequence of activities needed to automate a process or equipment activity, but not describe the sequence of processes or equipment to target. For example, the steps required to migrate the inspection of a pump are plant independent. However, defining that the migration of feed water pumps inspections to online monitoring should be performed before inspections of feed water valves is dependent on multiple plant factors such as the plant requirements, labor work capacity, and process or equipment conditions. The technology roadmap was broken down into six elements, four of which have a sequential path of advancement, while the other two are supporting elements to the sequential elements. The sequential part of the roadmap analyzes data collection, analytics, visualization, and management. For these elements of the technology roadmap, the migration of an activity is defined in three states. The base state is defined as the most primitive, manual, and labor dependent process used by some nuclear power plants. The modern state is defined as the state that can be achieved if the activities are augmented or replaced by current technologies that are commercially available or are soon to be available. The state of the art is defined as using technologies of the future, i.e. concept and technologies that are being researched. The data collection part of the technology roadmap defines three states of every process performed in a nuclear power plant. However, the data analytics part is described based on equipment, because automating an activity performed on one equipment required considering multiple data sources. The visualization and data management elements are process or equipment independent. Visualization describes the means to use human factor science and technologies advancement in presenting the data collected and the data analytics results. The data management targets storage, communication, and computational power need, in addition to data integration and sharing. Since storage, communication, and computational power technologies and path for deployment are known to any information technology organization, this effort targeted the cost of data management. This has a direct impact on the feasibility of the automation effort. The supporting elements analyzes the value of automating the activity and the change challenges to tackle. For the support elements, the roadmap targeted describing activities that need to be performed as part of the roadmap development. The value element of the roadmap describes how to analyze the cost saving and the associated risk. The change management identifies multiple factors to consider such as regulation, cybersecurity, resource availability, supporting infrastructure availability, feasibility (power, fitness, environment tolerance, facilities), and cultural change.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗