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The Virtual Test Bed (VTB) repository: a library of multiphysics reference reactor models using NEAMS tools

With the next generation of nuclear reactors under development, modeling and simulation (MS) tools are being developed by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program in order to support their design, licensing, and future operation. Mirroring the physical test beds currently under construction (i.e., EBR-II and ZPPR), the Virtual Test Bed (VTB) was launched by the National Reactor Innovation Center (NRIC) in collaboration with NEAMS to support the advanced reactor community. This collaborative effort, which involves multiple teams at both Idaho National Laboratory and Argonne National Laboratory aims to use NEAMS tools to model a wide range of reactor designs. Those models are automatically tested to ensure their continued functionality as the tools are further developed. Examples are extensively documented, each acting as a tutorial for applying the relevant NEAMS tools to that reactor design. Currently, five advanced reactor types (with a total of eight specific design variants) are simulated by a variety of different models. These models range from steady-state, core multiphysics simulations to integrated plant analysis during loss-of flow transients. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

SPECIAL ANALYSIS AIR PATHWAY MODELING OF E-AREA LOW-LEVEL WASTE FACILITY

This Special Analysis (SA) was initiated to address a concern expressed by the Department of Energy's Low Level Waste Disposal Facility Federal Review Group (LFRG) Review Team during their review of the 2008 E-Area Performance Assessment (PA) (WSRC, 2008). Their concern was the potential for overlapping of atmospheric plumes, emanating from the soil surface above SRS LLW disposal facilities within the E-Area, to contribute to the dose received by a member of the public during the Institutional Control (IC) period. The implication of this concern was that the dose to the maximally-exposed individual (MEI) located at the SRS boundary might be underestimated during this time interval. To address this concern a re-analysis of the atmospheric pathway releases from E-Area was required. In the process of developing a new atmospheric release model (ARM) capable of addressing the LFRG plume overlap concern, it became obvious that new and better atmospheric pathway disposal limits should be developed for each of the E-Area disposal facilities using the new ARM. The scope of the SA was therefore expanded to include the generation of these new limits. The initial work conducted in this SA was to develop a new ARM using the GoldSim{reg_sign} program (GTG, 2009). The model simulates the subsurface vapor diffusion of volatile radionuclides as they release from E-Area disposal facility waste zones and migrate to the land surface. In the process of this work, many new features, including several new physical and chemical transport mechanisms, were incorporated into the model. One of the most important improvements was to incorporate a mechanism to partition volatile contaminants across the water-air interface within the partially saturated pore space of the engineered and natural materials through which vapor phase transport occurs. A second mechanism that was equally important was to incorporate a maximum concentration of 1.9E-07 Ci/m{sup 3} of {sup 14}CO{sub 2} in the air-filled pores of cementitious materials. The ARM also combines the individual transport models constructed for each E-Area disposal facility into a single model, and was ultimately used to analyze the LFRG concern regarding the potential for atmospheric plume overlap at the SRS boundary during the IC period. To evaluate the plume overlap issue, a conservative approach was adopted whereby the MEI at the SRS boundary was exposed to the releases from all E-Area disposal facilities simultaneously. This is equivalent to a 100% overlap of all atmospheric plumes emanating from E-Area. Should the dose received from this level of atmospheric plume overlap still fall below the permissible exposure level of 10 mrem/yr, then the LFRG concern would be alleviated. The structuring of the ARM enables this evaluation to be easily performed. During the IC period, the peak of the 'total plume overlap dose' was computed to be 1.9E-05 mrem/yr, which is five orders of magnitude lower than the 10 mrem/yr PA performance objective for the atmospheric release pathway. The main conclusion of this study is that for atmospheric releases from the E-Area disposal facilities, plume overlap does not cause the total dose to the MEI at the SRS boundary during the IC to exceed the Performance Assessment (PA) performance objective. Additionally, the potential for plume overlap was assessed in the post-Institutional Control period. Atmospheric plume overlap is less likely to occur during this period but conceivably could occur if the prevailing wind direction shifted so as to pass directly over all EArea disposal facilities and transport airborne radionuclides to the MEI at the 100 m point of compliance (POC). This concern was also demonstrated of little concern, as the maximum plume overlap dose was found to be 1.45E+00 mrem/yr (or {approx}15% of the performance measure) during this period and under these unlikely conditions.

54 ENVIRONMENTAL SCIENCES↗

The Virtual Test Bed (VTB) Repository: A Library of Multiphysics Reference Reactor Models using NEAMS Tools

With the next generation of nuclear reactors under development, modeling and simulation (M&S) tools are being developed by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program in order to support their design, licensing, and future operation. Mirroring the physical test beds currently under construction (i.e., EBR-II and ZPPR), the Virtual Test Bed (VTB) was launched by the National Reactor Innovation Center (NRIC) in collaboration with NEAMS to support the advanced reactor community. This collaborative effort, which involves multiple teams at both Idaho National Laboratory and Argonne National Laboratory aims to use NEAMS tools to model a wide range of reactor designs. Those models are automatically tested to ensure their continued functionality as the tools are further developed. Examples are extensively documented, each acting as a tutorial for applying the relevant NEAMS tools to that reactor design. Currently, five advanced reactor types (with a total of eight specific design variants) are simulated by a variety of different models. These models range from steady-state, core multiphysics simulations to integrated plant analysis during loss-of-flow transients.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Report in the Energy and Intensity Frontiers, and Theoretical at Northwestern University

The Northwestern (NU) Particle Physics (PP) group involved in this report is active on all the following priority areas: Energy and Intensity Frontiers. The group is lead by 2 full profs. in experimental physics (Schmitt and Velasco), 3 full profs. in theoretical physics (de Gouvea, Low and Petriello), and Heidi Schellman who is now at Oregon State. Low and Petriello hold joint appointments with the HEP Division at Argonne National Laboratory. The theoretical PP research focuses on different aspects of PP phenomenology. de Gouvea dedicates a large fraction of his research efforts to understanding the origin of neutrino masses, neutrino properties and uncovering other new phenomena, and investigating connections between neutrino physics and other aspects of PP. Low works on Higgs physics as well as new theories beyond the Standard Model. Petriello pursues a research program in precision QCD and its associated collider phenomenology. The main goal of this effort is to improve the Standard Model predictions for important LHC observables in order to enable discoveries of new physics. In recent years, the emphasis on experimental PP at NU has been in collider physics. NU expands its efforts in new directions in both the Intensity and the Cosmic Frontiers (not discussed in this report). In the Intensity Frontier, Schmitt has started a new effort on Mu2e. He was accepted as a collaborator in April 2015 and is identified with important projects. In the Energy Frontier, Hahn, Schmitt and Velasco continue to have a significant impact and expanded their CMS program to include R&D for the real-time L1 tracking trigger and the high granularity calorimeter needed for the high-luminosity LHC. Hahn is supported by an independent DOE Career Award and his work will not be discussed in this document. The NU analysis effort includes searches for rare and forbidden decays of the Higgs bosons, Z boson, top quark, dark matter and other physics beyond the standard model topics. Four students completed their PhD: Kubik is now contributing to the Cosmic Frontier program, Pollack to both the Intensity and Energy Frontiers and Pozdnyakov and Odell will continue in the Energy Frontier. All our research scientists, Anastassov, Oferzynski, Lusito, and Stoynev, have found new positions. The new post-docs are Trovato from Scuola Normale de Pisa, Odell from Northwestern and Bhattacharya from Brown. Trovato is now supported by Hahn, and so is Sung, previously at MIT.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Theoretical Modeling of Reactor Relevant Conditions for Plasma Jet Driven Magneto-Inertial Fusion

The Charger Advanced Power and Propulsion Laboratory (CAPP), a laboratory within the Propulsion Research Center (PRC) at the University of Alabama in Huntsville (UAH) is working with Los Alamos National Laboratory (LANL). to develop models and inform on promising paths for high gain magneto-inertial fusion (MIF) conditions. This report provides a framework for identifying promising conditions for achieving ignition in plasma-jet-driven magneto-inertial fusion (PJMIF)[1]. As proposed, for the first part of the contract, UAH proposes to develop a gain over unity set of stagnation conditions to provide a state of plasma conditions to achieve to set long terms goals for the PJMIF program. Specifically, UAH will model PJMIF stagnation conditions to include radiation, heat transfer, two temperature energy equations, fusion reactivity and nonlocal fusion product deposition, but no hydrodynamics for these purposes. These calculations will use a stationary plasma model to reduce simulation complexity—focusing on a DT target at 10 keV. Subsequent work will include a DD plasma layer acting as an afterburner. UAH will assume an initial magnetic field without any consideration of the topology, just assume a field strength, most likely scaled with consideration of the local hall parameter. This effort will inform the team on the tradeoff between mass, peak target field, etc and the achievable gain.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Controlling risk and demand ambiguity in newsvendor models

We use distributionally robust optimization (DRO) to model a general class of newsvendor problems with unknown demand distribution. The goal is to find an order quantity that minimizes the worst-case expected cost among an ambiguity set of distributions. The ambiguity set consists of those distributions that are not far—in the sense of the total variation distance—from a nominal distribution. The maximum distance allowed in the ambiguity set (called level of robustness) places the DRO between the risk-neutral stochastic programming and robust optimization models. An important problem a decision maker faces is how to determine the level of robustness—or, equivalently, how to find an appropriate level of risk-aversion. We answer this question in two ways. Our first approach relates the level of robustness and risk to the regions of demand that are critical (in a precise sense we introduce) to the optimal cost. Our second approach establishes new quantitative relationships between the DRO model and the corresponding risk-neutral and classical robust optimization models. To achieve these goals, we first focus on a single-product setting and derive explicit formulas and properties of the optimal solution as a function of the level of robustness. Then, we demonstrate the practical and managerial relevance of our results by applying our findings to a healthcare problem to reserve operating room time for cardiovascular surgeries. Finally, we extend some of our results to the multi-product setting and illustrate them numerically.

99 GENERAL AND MISCELLANEOUS↗

Generating An Advanced Cross-section Library For HTGR Pebble Bed Depletion Calculations Using Reduced-Order Model Generation Techniques

For code development, Advanced Reactor Technologies - Gas Cooled Reactors Program (ART-GCR) rely on a collaboration with the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, but the cross sections generation and the methodology definition is part of this program area goals. Based on previous studies in FY23, the size of microscopic cross section libraries increases rapidly with the number of tabulations, requiring significant amount of memory and drastically slowing down the Griffin calculations when evaluating cross sections via the multivariate linear interpolation approach. Rising to these challenges, this work investigates constructing Reduced-order Models (ROMs) for the multi-group microscopic cross sections to accelerate the cross section evaluation in Griffin. A database of multigroup cross sections is first collected considering all possible parameters that a designer could change for optimization. Down-selection of the ROM techniques afterward shows Deep Neural Network (DNN) as the best candidate when jointly consider memory efficiency, predictive accuracy, computational cost, scalability, flexibility and ease of implementation of the algorithms in comparison to the multidimensional interpolation. This work develops a specific interface that enables the cross section predictions using pre-trained DNN models into Griffin leveraging the existing ROM capabilities. DNNs have been trained for all isotopes for use in Griffin. Preliminary Griffin testing shows that DNNs exhibit exceptional predictive accuracy and the use of DNNs provides orders of magnitude improvement in memory efficiency compared to conventional interpolation techniques. With such ROM techniques, it holds great promise to further increase the fidelity of the Pebble Bed Reactor (PBR) simulation by increasing the number of tabulations/state variables during cross section evaluation, while maintaining the computational cost affordable in Griffin.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Advanced Fuels Campaign FY 2014 Accomplishments Report

The mission of the Advanced Fuels Campaign (AFC) is to perform Research, Development, and Demonstration (RD&D) activities for advanced fuel forms (including cladding) to enhance the performance and safety of the nation’s current and future reactors; enhance proliferation resistance of nuclear fuel; effectively utilize nuclear energy resources; and address the longer-term waste management challenges. This includes development of a state-of-the art Research and Development (R&D) infrastructure to support the use of a “goal-oriented science-based approach.” In support of the Fuel Cycle Research and Development (FCRD) program, AFC is responsible for developing advanced fuels technologies to support the various fuel cycle options defined in the Department of Energy (DOE) Nuclear Energy Research and Development Roadmap, Report to Congress, April 2010. AFC uses a “goal-oriented, science-based approach” aimed at a fundamental understanding of fuel and cladding fabrication methods and performance under irradiation, enabling the pursuit of multiple fuel forms for future fuel cycle options. This approach includes fundamental experiments, theory, and advanced modeling and simulation. The modeling and simulation activities for fuel performance are carried out under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, which is closely coordinated with AFC. In this report, the word “fuel” is used generically to include fuels, targets, and their associated cladding materials. R&D of light water reactor (LWR) fuels with enhanced accident tolerance is also conducted by AFC. These fuel systems are designed to achieve significantly higher fuel and plant performance to allow operation to significantly higher burnup, and to provide enhanced safety during design basis and beyond design basis accident conditions. The overarching goal is to develop advanced nuclear fuels and materials that are robust, have high performance capability, and are more tolerant to accident conditions than traditional fuel systems. AFC management and integration activities included continued support for international collaborations, primarily with France, Japan, the European Union, Republic of Korea, and China, as well as various working group and expert group activities in the Organization for Economic Cooperation and Development Nuclear Energy Agency (OECD-NEA) and the International Atomic Energy Agency (IAEA). Three industry-led Funding Opportunity Announcements (FOAs) and two university-led Integrated Research Projects (IRPs), funded in 2013, made significant progress in fuels and materials development. All are closely integrated with AFC and Accident Tolerant Fuels (ATF) research. Accomplishments made during fiscal year (FY) 2014 are highlighted in this report, which focuses on completed work and results. The process details leading up to the results are not included; however, the lead technical contact is provided for each section.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Prefabricated High-Strength Rebar Systems with High-Performance Concrete for Accelerated Construction of Nuclear Concrete Structures

This project aimed to reduce the field construction times and fabrication costs of reinforced concrete (RC) nuclear structures through the use of: 1) high-strength steel deformed reinforcing bar (rebar); 2) prefabricated high-strength rebar (HSR) assemblies with headed anchorages; and 3) high-strength concrete (HSC). The focus of the project was not to develop new innovations on materials, but rather to fill a major knowledge gap on the effectiveness, code conformity, and viability (i.e., practicality, commercial availability) of existing high-strength materials in nuclear structures, especially in shear walls, their connections/joints, and around penetrations. These advances promote the Nuclear Energy Enabling Technologies Advanced Methods for Manufacturing (NEET-1) goals of accelerating deployment schedules by at least 6 months and reducing component fabrication costs by 20% or more. Toward this vision, the following objectives were identified and completed: Develop limit-benefit and cost-benefit analysis frameworks: The structural and economic limits and benefits of HSR and HSC in nuclear walls were evaluated. Importantly, it was found that modest increases in concrete strength up to 10.0 ksi and rebar yield strength up to 100 ksi result in the most economic designs and improved structural performance (Barbachyn et al., 2017a and Barbachyn et al., 2017b). Also, an industry survey was distributed to determine the cost benefits associated with prefabrication. Importantly, on-site worker-hours are significantly reduced, allowing for significantly accelerated construction schedules (Devine et al. 2018b). Develop an optimization methodology for structural design: An optimization study was deemed not necessary since the trivial solution with maximized use of high-strength materials and prefabrication always resulted in the largest cost and time savings. Instead, the benefits (and limits) of high-strength materials and prefabrication on construction costs and on-site construction time were investigated through a parametric study. Cost-reductions through the use of HSR and HSC were found to be greater than 40%. Also, on-site construction time of nuclear shear walls can be reduced by up to 83% through the use of prefabricated rebar assemblies. Conduct experimental evaluations of nuclear shear walls and wall-foundation joints: A large scale experimental program was completed on shear-critical RC cantilever deep beams. From these experiments, it was demonstrated that increasing rebar yield strength had a greater effect on increasing lateral strength than increasing the concrete compressive strength. Further, using HSR together with HSC resulted in the highest lateral strength and displacement ductility (Devine et al. 2018a). Additionally, large-scale reversed-cyclic lateral load tests were conducted on RC shear walls. It was demonstrated that through the utilization of HSR and HSC, a wall with 55% reduced vertical and horizontal rebar area was able to achieve 91% of the peak lateral strength of a conventional wall using state-of-practice materials with the same geometry. Further, trim reinforcement with headed anchorages around the penetrations proved to be effective. Develop validated numerical simulation models: Numerical modeling was completed in two phases during this project using 3 different finite element software packages. The first phase used existing measured data from previous experimental studies on stocky RC walls to validate simplified predictive models. Models using two different programs were validated based on a database of 38 stocky walls (Barbachyn et al., 2017a). The second phase occurred after experimental testing using a third and more detailed finite element package. Prediction improvements for the initial stiffness, lateral deformations, damage propagation, and failure mechanisms were targeted. The resulting detailed models more accurately predicted the peak lateral strength, initial and secant stiffnesses, lateral deformations, and cracking patterns of the wall test specimens subjected to reversed-cyclic lateral loading as compared to the simplified pretest models. Develop validated design procedures, tools, and criteria: This project evaluated the accuracy of existing closed-form design equations from U.S. building design standards and previous research (Barbachyn et al. 2017a and Devine et al. 2018a). It was shown that the current predictive equations for shear strength capacity need to be revisited as they provide significant scatter and gross overestimates, indicating the potential for unconservative designs. Further, for both the deep beam and shear wall specimens, the numerical models and flexural capacity predictions provided the most accurate strength predictions. Develop cost-effective field construction procedures: To promote the use of prefabricated rebar assemblies, the following construction conditions where prefabrication would be used instead of in-place rebar tying were identified from an industry survey: 1) to save on construction schedule; 2) to improve safety and/or quality control; 3) for areas with heavy rebar congestion; and 4) for structures with significant repetition in rebar layout. All of these conditions directly apply and benefit nuclear construction where construction costs and schedules are extensive, safety and quality are of utmost importance, the reinforcement is extremely dense, and the reinforcement layout is repetitive in many regions of the shear walls. Additionally, an experimental study was conducted to investigate the changes in bar spacing (with respect to code-required rebar spacing and placement tolerances) when a horizontally assembled prefabricated two-dimensional (2D) rebar mat or three-dimensional (3D) rebar cage is lifted (or tripped) to a vertical position. It was found that the bars involved in both the lateral translation of the rebar assemblies (i.e., movement of the assembly in its horizontal position) and the tripping process were most susceptible to large spacing changes, and thus, their positions within the assembly would need to be checked after the placement of the assembly in place within the formwork. Importantly, the spacings of all of the other bars in the assembly were not affected significantly by the lateral translation and tripping process, thereby eliminating the need to recheck their positions within the assembly (Devine et al. 2018b).

36 MATERIALS SCIENCE↗

The importance of electron scattering in the analysis of actinide X-ray spectroscopy

Abstract Manifestations of electron scattering in X-ray spectroscopy have been evident for decades. Here, it will be shown that the proper interpretation of variants of X-ray Absorption Spectroscopy (XAS) of actinide materials must include an accurate treatment of features caused by electron scattering, i.e., EXAFS or Extended X-ray Absorption Fine Structure. These EXAFS features can be of such low energy that they are within ten to twenty electron volts of the Unoccupied Density of States (UDOS), immediately above the Fermi Energy or Band Gap. The adaption of simple models using the FEFF simulation program will be presented, including the demonstration of the robust nature of the results from different models. Graphical abstract

Tobin, J. G. (ORCID:0000000322943301)↗

Comparison Between Pin-by-Pin Subchannel and System Level Thermal Hydraulic Results for High Burnup Loss-of-Coolant Applications

This milestone report summarizes recent work to investigate higher fidelity modeling and simulation practices for large-break loss-of-coolant accident (LBLOCA) analysis in high-burnup pressurized water reactor (PWR) cores. Because of current industry interest in extending fuel cycle lengths ranging from 18 to 24-months, the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program has been investigating the susceptibility of high-burnup core designs to fuel fragmentation, release, and dispersal (FFRD) during accident conditions such as LBLOCA. This work has prioritized developing and demonstrating a methodology for calculating core-wide susceptibility to FFRD and addressing uncertainties identified in the analysis and the US Nuclear Regulatory Commission (NRC) Research Information Letter on FFRD. Part of this investigation seeks to quantify differences between system-level thermal hydraulic behavior and higher fidelity subchannel modeling methods to identify potential safety concerns or opportunities to minimize FFRD susceptibility. To this end, the NEAMS subchannel code, CTF, is being used, along with the NRC system analysis code TRACE, for analysis of LBLOCA in a core containing high-burnup fuel. This project includes two thrusts: (1) improving on the existing TRACE model for a 4-loop PWR for LBLOCA so that the model is higher fidelity and consistent with current USNRC best practices, and (2) using CTF to perform pin-resolved modeling of the core region of the reflood phase of a LBLOCA in a high-burnup PWR.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Using Multi-scale Dynamic Rupture Models to Improve Ground Motion Estimates: ALCF-2 Early Science Program Technical Report

This project uses dynamic rupture simulations to investigate high-frequency seismic energy generation. The relevant phenomena (frictional breakdown, shear heating, effective normal-stress fluctuations, material damage, etc.) controlling rupture are strongly interacting and span many orders of magnitude in spatial scale, requiring highresolution simulations that couple disparate physical processes (e.g., elastodynamics, thermal weakening, pore-fluid transport, and heat conduction). Compounding the computational challenge, we know that natural faults are not planar, but instead have roughness that can be approximated by power laws potentially leading to large, multiscale fluctuations in normal stress. The capacity to perform 3D rupture simulations that couple these processes will provide guidance for constructing appropriate source models for high-frequency ground motion simulations. The improved rupture models from our multi-scale dynamic rupture simulations will be used to conduct physicsbased (3D waveform modeling-based) probabilistic seismic hazard analysis (PSHA) for California. These calculation will provide numerous important seismic hazard results, including a state-wide extended earthquake rupture forecast with rupture variations for all significant events, a synthetic seismogram catalog for thousands of scenario events and more than 5000 physics-based seismic hazard curves for California.

58 GEOSCIENCES↗

Evolvix BEST Names for semantic reproducibility across code2brain interfaces

Names in programming are vital for understanding the meaning of code and big data. We define code2brain (C2B) interfaces as maps in compilers and brains between meaning and naming syntax, which help to understand executable code. While working toward an Evolvix syntax for general‐purpose programming that makes accurate modeling easy for biologists, we observed how names affect C2B quality. To protect learning and coding investments, C2B interfaces require long‐term backward compatibility and semantic reproducibility (accurate reproduction of computational meaning from coder‐brains to reader‐brains by code alone). Semantic reproducibility is often assumed until confusing synonyms degrade modeling in biology to deciphering exercises. We highlight empirical naming priorities from diverse individuals and roles of names in different modes of computing to show how naming easily becomes impossibly difficult. We present the Evolvix BEST (Brief, Explicit, Summarizing, Technical) Names concept for reducing naming priority conflicts, test it on a real challenge by naming subfolders for the Project Organization Stabilizing Tool system, and provide naming questionnaires designed to facilitate C2B debugging by improving names used as keywords in a stabilizing programming language. Our experiences inspired us to develop Evolvix using a flipped programming language design approach with some unexpected features and BEST Names at its core.

97 MATHEMATICS AND COMPUTING↗

Multi-Physics Simulations of Heat Pipe Micro Reactor

System Analysis Module (SAM) is under development at Argonne National Laboratory as a modern system-level modeling and simulation tool for advanced non-light water reactor safety analyses. It utilizes the object-oriented application framework MOOSE to leverage the modern software environment and advanced numerical methods. The capabilities of SAM are being extended to enable the transient modeling, analysis, and design of various advanced nuclear reactor systems. This report presents the development of new capabilities for modeling the heat pipe type reactor systems. The need for power at remote locations away from a reliable electrical grid is an important niche for nuclear energy. Heat pipe-cooled fast-spectrum nuclear reactors are well suited for these applications. The key feature of the heat pipe reactors is the use of heat pipes for heat removal from the reactor core. The heat pipe makes use of the phase change of the working fluid and transports a large amount of heat from the evaporator to the condensation end with very small temperature drops. In contrast to the traditional nuclear reactor system that makes use of pumped loop for extracting the thermal power, the heat pipe reactors make use of hundreds of heat pipes for removing the thermal power (including the decay heat) passively. This could potentially significantly improve the reliability and safety of the reactor systems. The essential part in the analysis of a heat pipe type reactor is the modeling of heat transport inside the heat pipe. The capability of SAM was extended to enable the modeling of the conventional heat pipe. The full suite of non-LWR codes for confirmatory analysis at NRC is known as the Comprehensive Reactor Analysis Bundle (CRAB). It makes use of existing NRC codes, and integrates them with several codes developed through the DOE-NE’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. In this report, the heat pipe micro reactor is simulated using three submodules under CRAB. The MAMMOTH module is used to simulate the reactor kinetics behavior of the micro reactor; the SAM module is used to simulate the heat conduction in the reactor core and heat removal through the heat pipe heat exchangers and Reactor Cavity Cooling System (RCCS); and the MOOSE Tensor Mechanics module is used to simulate the thermal expansion of the reactor cores. The different sub-models are coupled together using MOOSE’s MultiApp system and executed using the BlueCrab application. The new capability has been demonstrated by a steady-state operation analysis, a failure of a single central heat pipe transient analysis, and a loss of heat sink transient analysis. The fully coupled model is shown to work well.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Status Report on NEAMS System Analysis Module Development

Under the Reactor Product Line (RPL) of DOE-NE’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, an advanced SFR System Analysis Module (SAM) is being developed at Argonne National Laboratory. The goal of the SAM development is to provide fast-running, improved-fidelity, whole-plant transient analyses capabilities. SAM utilizes an object-oriented application framework MOOSE), and its underlying meshing and finite-element library libMesh, as well as linear and non-linear solvers PETSc, to leverage modern advanced software environments and numerical methods. It also incorporates advances in physical and empirical models and seeks closure models based on information from high-fidelity simulations and experiments. This report provides an update on the SAM development, and summarizes the activities performed in FY15 and the first quarter of FY16. The tasks include: (1) implement the support of 2nd-order finite elements in SAM components for improved accuracy and computational efficiency; (2) improve the conjugate heat transfer modeling and develop pseudo 3-D full-core reactor heat transfer capabilities; (3) perform verification and validation tests as well as demonstration simulations; (4) develop the coupling requirements for SAS4A/SASSYS-1 and SAM integration.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Loss of Coolant High Burnup (LOC-HBu) Program

LOC-HBu is a joint experimental program (JEEP) operating within the Nuclear Energy Agency’s (NEA’s) framework for irradiation experiments II (FIDES-II). LOC-HBu is dedicated to the understanding of light water reactor (LWR) fuel performance at high burnup under loss of coolant accident (LOCA) conditions. LOC-HBu aims to support burnup extension needs by addressing identified R&D priorities to achieve an improved understanding of fuel fragmentation, relocation, and dispersal (FFRD) of HBu fuel during LOCA events. The need for such experiments was identified in the United States by the Fuel Performance Testing Technical Expert Group (FPTTEG) under the Electric Power Research Institute (EPRI)’s Collaborative Research on Advanced Fuel Technologies (CRAFT) framework. A combined in-pile and furnace testing program plan was developed by researchers at Idaho National Laboratory (INL) and Oak Ridge National Laboratory (ORNL) which was reviewed and approved by the FPTTEG Combined TREAT-LOC and SATS LOCA Experiment Plan. The first 4 tests identified in this plan are being put forward by the U.S. Department of Energy (U.S. DOE) and INL for inclusion in the FIDES-II second triannual work period. The data produced under this plan will be used to further validate and confirm existing models and inform future R&D and model development. The experimental program was specifically developed to address data gaps and opportunities identified via detailed review of the existing public knowledge base on LOCA FFRD, as well as reviewing specific experimental development activities regarding prototypic LOCA conditions for light-water reactor (LWR) systems. The program will systematically investigate the impacts of prototypic HBu fuel/cladding thermomechanical behaviors under postulated LWR LOCA conditions not yet fully investigated. These conditions correspond with prototypic decay-energy heatup (DEH) and stored-energy heatup (SEH) conditions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Kinetics of low-temperature methane activation on IrO 2 (1 1 0): Role of local surface hydroxide species

The ability of the IrO 2 (1 1 0) surface to promote CH 4 activation at low temperatures (~150 K) suggests possibilities for developing IrO 2 -based catalysts to selectively convert light alkanes to high-value chemicals. In this study, we present experimental results and microkinetic simulations, based on density functional theory (DFT) calculations, of temperature programmed reaction spectra (TPRS) obtained for CH 4 σ-complexes adsorbed on IrO 2 (1 1 0), and focus on clarifying how surface OH groups modify the branching between CH 4 desorption, activation and subsequent reactions during TPRS. Our DFT results predict that surface OH groups strongly destabilize CH 4 σ-complexes on IrO 2 (1 1 0) in addition to deactivating surface O-atoms that are needed to achieve CH 4 activation at low temperature. We demonstrate that a microkinetic model that incorporates the influence of surface OH groups on the CH 4 binding and reactivity reproduces experimental TPRS results which show that adsorbed CH 4 σ-complexes preferentially dissociate at low CH 4 coverage, but that an increasing fraction of the adsorbed CH 4 desorbs at low temperature (~120 K) with increasing initial CH 4 or H coverage. The simulations reveal that low-temperature CH4 desorption during TPRS arises primarily from CH 4 σ-complexes that are kinetically-trapped between adjacent surface OH groups, and are thus destabilized and unable to access reactive O-atoms. In addition, when the effect of adjacent OH groups is incorporated we find that the PBE-D3 functional incorporating dispersion provides CH 4 binding energies that agree more closely with that obtained from the TPRS experiments. Overall, our results demonstrate that the local effect of adjacent OH groups must be incorporated into any microkinetic models to properly capture the selectivity between extensive and partial oxidation in alkane conversion on IrO 2 (1 1 0) under reaction conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Data-Driven Protection Software to classify fault locations by protective zone in distribution systems with high PV penetration

The software contains (a) the source codes to generate Point-on-Wave (PoW) transient data for any feeder model in Alternative Transient Program (ATP) format. Codes provide options to change different steady state settings, including the loading condition and PV capacity and transient state setting like faults type, location and initiation time (b) data post-processing source code to converted data from native format to COMTRADE, csv, HDF5 (c) Docker container to train CNN to classify fault locations by protective zone. The container takes dataset and other training parameters (sampling rate, training epochs, batch size etc) as input to train CNN. The container writes back the trained CNN model, training and testing metrics and plots to the local workstation

Ramesh, Meghana↗