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DOE OSTI2021

Multiphysics coupling in the Exascale computing project

Multiphysics coupling presents a significant challenge in terms of both computational accuracy and performance. Achieving high performance on coupled simulations can be particularly challenging in a high-performance computing context. The US Department of Energy Exascale Computing Project has the mission to prepare mission-relevant applications for the delivery of the exascale computers starting in 2023. Many of these applications require multiphysics coupling, and the implementations must be performant on exascale hardware. In this special issue we feature six articles performing advanced multiphysics coupling that span the computational science domains in the Exascale Computing Project.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Electromagnetic coupling and array packing induce exchange of dominance on complex modes in 3D periodic arrays of spheres with large permittivity

In this study, we investigate the effect on wave propagation of array packing and electromagnetic coupling between spheres in a three-dimensional (3D) lattice of microspheres with large permittivity that exhibit strong magnetic polarizability. We report on the complex wavenumber of Bloch waves in the lattice when each sphere is assumed to possess both electric and magnetic dipoles and full electromagnetic coupling is accounted for. While for small material-filling fractions we always determine one dominant mode with low attenuation constant, the same does not happen for large filling fractions, when electromagnetic coupling is included. In the latter case we peculiarly observe two dominant modes with low attenuation constant, dominant in different frequency ranges. The filling fraction threshold for which two dominant modes appear varies for different metamaterial constituents, as proven by considering spheres made by either titanium dioxide or lead telluride. As further confirmation of our findings, we retrieve the complex propagation constant of the dominant mode(s) via a field fitting procedure employing two sets of waves (direct and reflected) pertaining to two distinct modes, strengthening the presence of the two distinct dominant modes for increasing filling fractions. However, given that one mode only, with transverse polarization, at any given frequency, is dominant and able to propagate inside the lattice, we are able to accurately treat the metamaterial that is known to exhibit artificial magnetism as a homogeneous material with effective parameters, such as the refractive index. Results clearly show that the account of both electric and magnetic scattering processes in evaluating all electromagnetic intersphere couplings is essential for a proper description of the electromagnetic propagation in lattices.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Simultaneous Brillouin and piezoelectric coupling to a high-frequency bulk acoustic resonator

Bulk acoustic resonators support robust, long-lived mechanical modes, capable of coupling to various quantum systems. In separate works, such devices have achieved strong coupling to both superconducting qubits, via piezoelectricity, and optical cavities, via Brillouin interactions. In this work, we present a hybrid microwave–optical platform capable of coupling to bulk acoustic waves through cavity-enhanced piezoelectric and photoelastic interactions. The modular, tunable system achieves fully resonant and well-mode-matched interactions among a 3D microwave cavity, a high-frequency bulk acoustic resonator, and a Fabry–Perot cavity. We realize this piezo–Brillouin interaction in x-cut quartz, demonstrating the potential for strong optomechanical interactions and high cooperativity using optical cavity enhancement. We further show how this device functions as a bidirectional electro–opto–mechanical transducer, with transduction efficiency exceeding 10 − <#comment/> 8 , and a feasible path towards unity conversion efficiency. The high optical sensitivity and ability to apply a large resonant microwave field in this system also offers a tool for probing anomalous electromechanical couplings, which we demonstrate by investigating (nominally centrosymmetric) C a F 2 and revealing a parasitic piezoelectricity of 83 am/V. Such studies are an important topic for emerging quantum technologies, and highlight the versatility of this hybrid platform.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Anomalies in the space of coupling constants and their dynamical applications I

It is customary to couple a quantum system to external classical fields. One application is to couple the global symmetries of the system (including the Poincaré symmetry) to background gauge fields (and a metric for the Poincaré symmetry). Failure of gauge invariance of the partition function under gauge transformations of these fields reflects ’t Hooft anomalies. It is also common to view the ordinary (scalar) coupling constants as background fields, i.e. to study the theory when they are spacetime dependent. We will show that the notion of ’t Hooft anomalies can be extended naturally to include these scalar background fields. Just as ordinary ’t Hooft anomalies allow us to deduce dynamical consequences about the phases of the theory and its defects, the same is true for these generalized ’t Hooft anomalies. Specifically, since the coupling constants vary, we can learn that certain phase transitions must be present. We will demonstrate these anomalies and their applications in simple pedagogical examples in one dimension (quantum mechanics) and in some two, three, and four-dimensional quantum field theories. An anomaly is an example of an invertible field theory, which can be described as an object in (generalized) differential cohomology. We give an introduction to this perspective. Also, we use Quillen’s superconnections to derive the anomaly for a free spinor field with variable mass. In a companion paper we will study four-dimensional gauge theories showing how our view unifies and extends many recently obtained results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Strategy for Multi-Scale Single-Phase Flow Coupling

For practical nuclear engineering applications, multi-scale analysis by adopting the combined use of different scale computational tools, such as system thermal-hydraulics and CFD codes is vital when three-dimensional effects play an important role in the evolution of a given transient or accident scenario. The feasibility of coupling low-fidelity systems codes with higher fidelity CFD tools was demonstrated previously under NEAMS by coupling SAS4A/SASSYS-1 with the commercial CFD code STAR-CD and STAR-CCM+. An “adhoc” coupling strategy was implemented. With the advances in numerical techniques and software engineering, such as the availability of PETSc and MOOSE, modernization of existing systems codes or the development of new system code becomes more compelling. MOOSE (Multi-physics Object Oriented Simulation Environment) is a parallel computational framework developed at INL for enabling the solution of complex, fully-implicit multiphysics systems. It has been utilized in many nuclear applications including the system analysis codes RELAP-7 and the SFR module under current NEAMS Reactor Product Line (RPL). This motivates the development of a coupled scheme for MOOSE-based system analysis code and the commercial CFD code STAR-CCM+. STAR-CCM+ is a generalpurpose commercial CFD code using finite volume formulation for the analysis of compressible and incompressible flows and heat transfer, and it is being included in the toolkit of the NEAMS RPL. This investigation is important for the integration between the MOOSE-based system codes and the high-fidelity advanced simulation capabilities developed under the NEAMS RPL.

Hu, R.↗
DOE OSTI2016

Warthog: Progress on Coupling BISON and PROTEUS

The Nuclear Energy Advanced Modeling and Simulation (NEAMS) program from the Office of Nuclear Energy at the Department of Energy (DOE) provides a robust toolkit for modeling and simulation of current and future advanced nuclear reactor designs. This toolkit provides these technologies organized across product lines, with two divisions targeted at fuels and end-to-end reactor modeling, and a third for integration, coupling, and high-level workflow management. The Fuels Product Line (FPL) and the Reactor Product Line (RPL) provide advanced computational technologies that serve each respective field effectively. There is currently a lack of integration between the product lines, impeding future improvements of simulation solution fidelity. In order to mix and match tools across the product lines, a new application called Warthog was produced. Warthog is built on the Multi-physics Object-Oriented Simulation Environment (MOOSE) framework developed at Idaho National Laboratory (INL). This report details the continuing efforts to provide the Integration Product Line (IPL) with interoperability using the Warthog code. Currently, this application strives to couple the BISON fuel performance application from the FPL using the PROTEUS Core Neutronics application from the RPL. Warthog leverages as much prior work from the NEAMS program as possible, enabling interoperability between the independently developed MOOSE and SHARP frameworks, and the libMesh and MOAB mesh data formats. Previous work performed on Warthog allowed it to couple a pin cell between the two codes. However, as the temperature changed due to the BISON calculation, the cross sections were not recalculated, leading to errors as the temperature got further away from the initial conditions. XSProc from the SCALE code suite was used to calculate the cross sections as needed. The remainder of this report discusses the changes to Warthog to allow for the implementation of XSProc as an external code. It also discusses the changes made to Warthog to allow it to fit more cleanly into the MultiApp syntax of the MOOSE framework. The capabilities, design, and limitations of Warthog will be described, in addition to some of the test cases that were used to demonstrate the code. Future plans for Warthog will be discussed, including continuation of the modifications to the input and coupling to other SHARP codes such as Nek5000.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

Investigation of Coupled Processes and Impact of High Temperature Limits in Argillite Rock: FY17 Progress. Predecisional Draft

The focus of research within the Spent Fuel and Waste Science and Technology (SFWST) (formerly called Used Fuel Disposal) Campaign is on repository-induced interactions that may affect the key safety characteristics of EBS bentonite and an argillaceous rock. These include thermal-hydrologicalmechanical- chemical (THMC) process interactions that occur as a result of repository construction and waste emplacement. Some of the key questions addressed in this report include the development of fracturing in the excavation damaged zone (EDZ) and THMC effects on the near-field argillaceous rock and buffer materials and petrophysical characteristics, particularly the impacts of temperature rise caused by waste heat. This report documents the following research activities. Section 2 presents THM model developments and validation, including modeling of underground heater experiments at Mont Terri and Bure underground research laboratories (URLs). The heater experiments modeled are the Mont Terri FE (Full-scale Emplacement) Experiment, conducted as part of the Mont Terri Project, and the TED in heater test conducted in Callovo-Oxfordian claystone (COx) at the Meuse/Haute-Marne (MHM) underground research laboratory in France. The modeling of the TED heater test is one of the Tasks of the DEvelopment of COupled Models and their VAlidation against EXperiments (DECOVALEX)-2019 project. Section 3 presents the development and application of thermal-hydrological-mechanical-chemical (THMC) modeling to evaluate EBS bentonite and argillite rock responses under different temperatures (100 °C and 200 °C). Model results are presented to help to understand the impact of high temperatures on the properties and behavior of bentonite and argillite rock. Eventually the process model will support a robust GDSA model for repository performance assessments. Section 4 presents coupled THMC modeling for an in situ test conducted at Grimsel underground laboratory in Switzerland in the Full-Scale Engineered Barrier Experiment Dismantling Project (FEBEX-DP). The data collected in the test after almost two decades of heating and two dismantling events provide a unique opportunity of validating coupled THMC models and enhancing our understanding of coupled THMC process in EBS bentonite. Section 5 presents a planned large in-situ test, “HotBENT,” at Grimsel Test Site, Switzerland. In this test, bentonite backfilled EBS in granite will be heated up to 200 °C, where the most relevant features of future emplacement conditions can be adequately reproduced. Lawrence Berkeley National Laboratory (LBNL) has very actively participated in the project since the very beginning and have conducted scoping calculations in FY17 to facilitate the final design of the experiment. Section 6 presents present LBNL’s activities for modeling gas migration in clay related to Task A of the international DECOVALEX-2019 project. This is an international collaborative activity in which DOE and LBNL gain access to unique laboratory and field data of gas migration that are studied with numerical modeling to better understand the processes, to improve numerical models that could eventually be applied in the performance assessment for nuclear waste disposal in clay host rocks and bentonite backfill. Section 7 summarizes the main research accomplishments for FY17 and proposes future work activities.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

Fast Fiber-Coupled Imaging Devices

HyperV Technologies Corp. has successfully designed, built and experimentally demonstrated a full scale 1024 pixel 100 MegaFrames/s fiber coupled camera with 12 or 14 bits, and record lengths of 32K frames, exceeding our original performance objectives. This high-pixel-count, fiber optically-coupled, imaging diagnostic can be used for investigating fast, bright plasma events. In Phase 1 of this effort, a 100 pixel fiber-coupled fast streak camera for imaging plasma jet profiles was constructed and successfully demonstrated. The resulting response from outside plasma physics researchers emphasized development of increased pixel performance as a higher priority over increasing pixel count. In this Phase 2 effort, HyperV therefore focused on increasing the sample rate and bit-depth of the photodiode pixel designed in Phase 1, while still maintaining a long record length and holding the cost per channel to levels which allowed up to 1024 pixels to be constructed. Cost per channel was 53.31 dollars, very close to our original target of $50 per channel. The system consists of an imaging "camera head" coupled to a photodiode bank with an array of optical fibers. The output of these fast photodiodes is then digitized at 100 Megaframes per second and stored in record lengths of 32,768 samples with bit depths of 12 to 14 bits per pixel. Longer record lengths are possible with additional memory. A prototype imaging system with up to 1024 pixels was designed and constructed and used to successfully take movies of very fast moving plasma jets as a demonstration of the camera performance capabilities. Some faulty electrical components on the 64 circuit boards resulted in only 1008 functional channels out of 1024 on this first generation prototype system. We experimentally observed backlit high speed fan blades in initial camera testing and then followed that with full movies and streak images of free flowing high speed plasma jets (at 30-50 km/s). Jet structure and jet collisions onto metal pillars in the path of the plasma jets were recorded in a single shot. This new fast imaging system is an attractive alternative to conventional fast framing cameras for applications and experiments where imaging events using existing techniques are inefficient or impossible. The development of HyperV's new diagnostic was split into two tracks: a next generation camera track, in which HyperV built, tested, and demonstrated a prototype 1024 channel camera at its own facility, and a second plasma community beta test track, where selected plasma physics programs received small systems of a few test pixels to evaluate the expected performance of a full scale camera on their experiments. These evaluations were performed as part of an unfunded collaboration with researchers at Los Alamos National Laboratory and the University of California at Davis. Results from the prototype 1024-pixel camera are discussed, as well as results from the collaborations with test pixel system deployment sites.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

MULTI-PRED: A Software Module for Predictive Modeling of Coupled Multi-Physics Systems: User's Manual

This User’s Manual describes the code module MULTI-PRED, written in FORTRAN which implements the methodology for “predictive modeling of coupled multi-physics systems (PM-CMPS)” formulated by Cacuci (2014). This methodology fully takes into account the coupling terms between the systems but requires only the computational resources that would be needed to perform predictive modeling on each system separately. The PM-CMPS methodology uses the maximum entropy principle to construct an optimal approximation of the unknown a priori distribution based on a priori known mean values and uncertainties characterizing the experimental and computational parameters and results of interest responses, called for the multi-physics models under consideration. This “maximum entropy” a priori distribution is combined, using Bayes’ theorem, with the “likelihood” provided by the multi-physics simulation models to obtain a formal posterior distribution. Subsequently, the posterior distribution thus obtained is evaluated using the saddle-point method to obtain analytical expressions for the optimally predicted values for the multi-physics models parameters and responses along with corresponding reduced uncertainties. Noteworthy, the predictive modeling methodology for the coupled systems is constructed such that the systems can be considered sequentially rather than simultaneously, while preserving exactly the same results as if the systems were treated simultaneously. Consequently, very large coupled systems, which could perhaps exceed available computational resources if treated simultaneously, can be treated with the PM-CMPS methodology presented in this work sequentially and without any loss of generality or information, requiring just the resources that would be needed if the systems were treated sequentially. Three illustrative demonstration problems are also provided. The first problem presents the application of the PM-CMPS methodology to a simple particle diffusion problem which admits a closed-form analytical solution which facilitates a rapid understanding of this methodology and its predicted results. The second demonstration problem presents the application of the PM-CMPS methodology to the problem of inverse prediction, from detector responses in the presence of counting uncertainties, of the thickness of a homogeneous slab of material containing uniformly distributed gamma-emitting sources, for optically thin and thick slabs. This problem highlights the essential role played by the relative uncertainties (or, conversely, accuracies) of measured and computed responses. The third demonstration problem presents the application of the PM-CMPS methodology to the F-area cooling towers at the Savannah River National Lab. This problem demonstrates that the PM-CMPS methodology reduces the predicted response uncertainties not only at locations where measurements are available, but also at locations where measurements are not available.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Analysis of Coupled Bunch Instabilities in the NSLS-II Storage Ring with a 7-cell PETRA-III RF Structure

We studied the coupled-bunch instability driven by a 7-cell PETRA-III cavity structure, which is considered to be installed in the commissioning Phase 1 in the NSLS-II storage ring at an average current of 25mA. For instability threshold calculations we used the parameters of the bare lattice (no DW’s and Landau cavities). The transverse and longitudinal coupled-bunch instabilities can be driven by the higher order modes (HOM’s) of the 7-cell PETRA-III cavity structure. In the case of uniform filling the beam is longitudinally stable, and transversely unstable at zero chromaticity. To increase the transverse instability threshold we studied the stabilizing effect of the slow head-tail instability at positive chromaticity. We assume the slow head tail effect is driven by a broadband resonator impedance. In the case of all RF buckets filled (M=1320 bunches, N=3.1x10 8 particles per bunch) the beam is unstable for values of the chromaticity in the range [0 2]. To increase the damping provided by the slow head-tail effect, we discuss fillings with a larger number of particles per bunch. We analyze uniform filling configurations with M=132 (N=3.1x10 9 ) and M=66 (N=6.2x10 9 ). We also discussed HOM’s frequencies detuning based upon temperature change as a cure of the coupled-bunch instabilities, and proposed working points to make the 7-cell PETRA-III cavity structure stable under coupled-bunch interaction.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Selection of Glasses in Support of the Sludge Batch 9 Sulfate Solubility Limit for Coupled Operation with the Salt Waste Processing Facility

For Sludge Batches 3 through 8, the sulfate (SO 4 2- )solubility limit for the Defense Waste Processing Facility (DWPF) has been determined by laboratory-scale crucible testing. In preparation for Sludge Batch 9 (SB9) processing, a comparison demonstrated that minor compositional differences existed between the Sludge Batch 8 (SB8)-Frit 803 and SB9-Frit 803 glass composition regions for sludge-only and coupled operations with the Actinide Removal Process (ARP) and Modular Caustic Side Solvent Extraction Unit (MCU). Thus, no experimental testing was necessary and the SB8 SO 4 2- limit of 0.65 wt.% was recommended for SB9 processing. This previous SB9 assessment did not address coupled processing with streams from the Salt Waste Processing Facility (SWPF), which is anticipated to start operations in November 2019. These high activity streams will include monosodium titanate (MST) and sludge solids from the Sludge Solids Receipt Tank (SSRT) as well as Cs-containing strip effluent (SE). The incorporation of these SWPF streams is expected to reach TiO 2 concentrations in glass greater than 2 wt.% based on single and double MST strike scenarios. In support of coupled operation with SWPF, the DWPF Product Composition Control System was revised and allows a TiO 2 concentration of up to 6 wt.% (minus measurement uncertainty) in glass. For the SB8-Frit 803 SO 4 2- solubility study, the maximum TiO 2 concentration evaluated was 0.94 wt.%. Since the influence of increased TiO 2 on the retention of SO 4 2- in the SB9 glass region is unknown, a test matrix of ten glass compositions has been proposed to determine whether the 0.65 wt.% SO 4 2- limit is still appropriate for SB9 coupled operation with SWPF. This report documents the development of a test matrix that will support this study.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

In situ scanning probe microscopy studies of cross-coupled domains and domain walls. Final technical report

The objective of this project is to explore the nanoscale emergent phenomena and to understand the unconventional properties of cross-coupled domains and domain walls in multiferroics, where both ferroelectricity and magnetism coexist. The giant magnetoelectric effect due to coupled ferroic orders in multiferroics is of both fundamental and technological interest and is promising for energy-efficient multifunctional applications. The presence of domains and domain walls is a distinguishing feature of any ferroic order; their responses to external stimuli determine the macroscopic properties and the functionalities of ferroic materials. To address the challenges and to directly visualize the cross-coupled domains and domain walls and their responses to the applied electric and magnetic fields, this project will develop a unique, high-resolution and high-sensitivity in situ scanning force microscopy (SFM). The real space imaging of domains and domain walls by SFM aims to fundamentally understand the nature of magnetoelectric cross-coupling in representative multiferroic and magnetoelectric materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Development of the PROTEUS and ANSYS Coupled System for Simulating Heat Pipe Cooled Micro Reactors

The objective of this project is to develop the coupled system of PROTEUS/ANSYS for simulating a heat pipe cooled micro reactor. As an initial effort, while figuring out controlling ANSYS Mechanical with Workbench, the coupled system of PROTEUS/FLUENT in the CORBA environment were tried to demonstrate the coupled simulation for a transient problem of a heat pipe cooled micro reactor. Finally, the coupled system of PROTEUS/ANSYS was constructed using APDL commands in the CORBA environment, instead of ANSYS Workbench, since we found that ANSYS with the current version of Workbench Python scripting did not provide capabilities necessary for simulating a transient problem.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2019

Report of the Atmosphere to Electrons Mesoscale-to-Microscale Coupling Project (FY2019)

The overall goal of the Mesoscale-to-Microscale Coupling (MMC) project is to improve coupling between mesoscale and microscale simulations via improved guidance and new strategies for setting up simulations and the development of new tools that can be used across the community. Including the mesoscale forcing is critical to modeling the full energy transfer across scales in the atmosphere. The project-specific objectives include: Apply rigorous verification and validation (V&V) techniques to the new modeling tools that are developed as part of the project to ensure the accuracy of our codes and results and develop estimates of the relative uncertainty. Improve computational performance of the coupled MMC models through the development of methods that can be used to reduce turbulence spin-up time and hence the size of computational domains. Improve representation of the surface layer in microscale models to enhance simulations of hub-height wind speed. Develop guidance for the community describing the best ways to couple mesoscale and microscale models, including specific spatial scales at which the handoff to the microscale model should occur. Prepare documentation and a suite of software tools that can be used across the community. Transition MMC research to the offshore environment.

17 WIND ENERGY↗
DOE OSTI2021

Representing DC-Coupled PV+Battery Hybrids in a Capacity Expansion Model

Recent technology cost and performance improvements and the federal investment tax credit (ITC) have driven growing interest in coupling solar photovoltaic (PV) and battery systems. Combining these technologies into co-located or hybridized PV+battery systems has the potential to lower costs and increase energy output relative to multiple independent systems. In this work, we provide an overview of PV+battery systems and demonstrate methods for incorporating them into NREL’s Regional Energy Deployment System (ReEDS) capacity expansion model. Although the methods are applied to a specific model, we anticipate that the approaches used here can be useful for informing PV+battery method development for other capacity expansion models. The implemented method relies heavily on the native representations of PV and battery technologies; therefore, the focus of this work is on capturing and parameterizing the interactions between them for a configuration in which the PV and battery technologies share a single bi-directional inverter. This work also demonstrates the impacts of including PV+battery systems in the ReEDS optimization for the conterminous United States through 2050. In particular, we perform parametric sensitivities for input assumptions that are uncertain and expected to influence PV+battery deployment levels, including (a) the cost of PV+battery systems relative to independent PV and battery systems, (b) the battery component’s qualification for the ITC, and (c) future cost trajectories for PV and battery systems. We find that PV+battery deployment could occur throughout the conterminous United States if there are cost savings associated with DC coupling PV and battery technologies. If even modest (5%) cost savings can be achieved (through a shared inverter and balance-of-system costs), then approximately one-third of utility-scale PV deployment through 2050 adopts the DC-coupled hybrid configuration, resulting in total PV+battery deployment that exceeds the magnitude of PV+battery projects in U.S. interconnection queues in 2020. If greater cost savings can be achieved through DC coupling (e.g., due to a growing amount of shared balance-of-system costs, reduced financial risk, or modularity) or more rapid cost and performance improvements are realized for PV and battery technologies, then total PV+battery deployment and the share of PV and battery deployment that adopts the hybrid configuration grows (to >50%). In all cases, growing PV+battery deployment primarily displaces independent PV and battery technologies, indicating the strong competition between the hybrid and independent configurations comprising technologies with similar performance characteristics.

14 SOLAR ENERGY↗
DOE OSTI2020

Coupling MOOSE-Wrapped MPACT to BISON

As part of the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, an effort is being made to leverage codes like Virtual Environment for Reactor Analysis (VERA) and Michigan Parallel Characteristics Transport (MPACT) by coupling them with other NEAMS codes. To facilitate coupling with other Multiphysics Objected Oriented Simulation Environment (MOOSE) applications, a MOOSE-wrapped MPACT app is created. The capability of this app, named Trogdor, is demonstrated by coupling it with another MOOSE app, BISON. Several single pin problems were run to test the Trogdor and BISON coupling.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Report of the Atmosphere to Electrons Land-Based Mesoscale-to-Microscale Coupling Project (FY2020)

The overall goal of the Mesoscale-to-Microscale Coupling (MMC) project is to improve coupling between mesoscale and microscale simulations via improved guidance and new strategies for setting up simulations and for the development of new tools that can be used across the community. Including the mesoscale forcing is critical to modeling the full energy transfer across scales in the atmosphere. The project-specific objectives include: 1) To apply rigorous verification and validation (V&V) techniques to the new modeling tools that are developed as part of the project to ensure the accuracy of our codes and results and to develop estimates of the relative uncertainty. 2) To improve computational performance of the coupled MMC models through the development of methods that can be used to reduce turbulence spin-up time and hence the size of computational domains. 3) To improve representation of the surface layer in microscale models to enhance simulations of hub-height wind speed. 4) To develop guidance for the community describing the best ways to couple mesoscale and microscale models, including specific spatial scales at which the handoff to the microscale model should occur. 5) To prepare documentation and a suite of software tools that can be used across the community. And 6) To transition MMC research to the offshore environment. Major progress was made in each of these areas during FY20. The land-based portion of the project is reported herein, while the offshore portion will be reported separately. The team continued to advance the MMC tools and methodologies as well as to document their performance in journal papers and conference presentations, although several planned conferences were cancelled due to the COVID-19 pandemic.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Thermal-Hydraulics Modeling and Simulations of Hot Pool Using the SAS-CFD Coupled Code

The main goal of this activity is to test the dynamic coupling of the SAS4A/SASSYS-1 (SAS) and CFD models, using a recently patched version of the SAS code intended to address an undocumented limitation that hindered the Versatile Test Reactor (VTR) simulation efforts in FY21. As described in previous VTR calculation reports, the undocumented limitation in SAS v5.4 does not allow the user to activate the CFD coupling option during restart calculations. Since the analysts were unaware of this limitation, prior SAS-CFD simulation results for the protected station blackout (PSBO) transient were erroneous. Root-cause analysis was performed to determine the cause of this undocumented limitation in SAS v5.4, the SAS software was updated in a new patch, and the SAS-CFD simulations were repeated with this patched software. The results of the SAS-CFD simulations documented in this report show that the software patch does address the cited issue, and that the patched software indeed supports the activation of the CFD coupling model in restart calculations. The SAS development team will determine the schedule for implementing the patch in an official software release. This report documents updated SAS-CFD simulations of the PSBO transient response in the VTR. The hot pool is modeled with the CFD code STAR-CCM+, which is coupled at the flow boundaries to the SAS model of the primary heat transport system. SAS computes the mass flow rate and temperature at each core subassembly outlet, the thermal insulation cavity bypass, and the IHX inlet windows. CFD in turn computes the absolute pressure and temperature at each of these boundaries. The SAS code will ignore the temperature data at flow boundaries where flow is directed into the hot pool, i.e., at the core subassembly outlets unless flow reversal occurs. Similarly, CFD will ignore temperature data at boundaries where the flow is directed out of the hot pool, i.e., at the IHX inlets except under flow reversal. The focus of this work is to ensure that the SAS software patch addresses the undocumented limitation described in prior VTR calculation reports, rather than the accurate assessment of thermal stratification in the VTR during protected transients. This motivates the development of a new, simplified CFD model with a coarser mesh to accelerate the testing process. The updated model, and simplifying assumptions, are documented in this report. In future work, the thermal stratification assessment should be performed in more detail. The simplified CFD model can be improved by performing grid convergence studies sensitivity studies of turbulence parameters (e.g., Prandtl number, turbulence production and dissipation parameters) on temperature distributions and thermal stratification.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗