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DOE OSTI2022

ANTARES: a new IRSN computational chain for safety analysis

Since some years, the IRSN has developed a new project to simulate accurately the interaction between neutronic and thermal hydraulic phenomena. This project called ANTARES (Advanced Neutronics and Thermal-hydraulic for the Analysis of Reactor Safety) couples the thermal hydraulic code CATHARE-3 with the 3D neutronic nodal code PARCS. The purpose of this project is to take the advantage of the complementary of these 2 codes, by the knowledge of the 3D core power distribution in CATHARE-3 (computed by PARCS) and improving the thermal hydraulic boundaries conditions in PARCS. In this way, the IRSN diversifies and enlarges its available tools to perform safety analysis with improved accuracy. The current technique usually adopted in France for the safety demonstrations for Reactivity Insertion Accident (RIA) is the so-called 'conservative' approach, which consists of reducing all the feedback (Doppler and moderator effects) and in modifying some physical quantities in such a way to increase a power peak. For this reason, these facilities ('penalties') have been implemented in ANTARES. In this paper we will give two examples of accidental transients that can be simulated with ANTARES: a Main Steam Line Break (MSLB) and an inadvertent boron dilution event. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Hybrid User Manual

This document is the user manual for the Hybrid Repository that is a part of the Integrated Energy Systems program. The Hybrid Repository is a collection of physical modelica models used for the creation of transient integrated energy systems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Fluoride-Cooled High-Temperature Pebble-Bed Reactor Reference Plant Model

In this report we present work performed in Fiscal Year 2022 that demonstrates the modeling and simulation of a fully coupled neutronics thermal hydraulics reference plant model for a fluoride-cooled high-temperature pebble-bed reactor. The multiphysics model is developed on the Nuclear Regulatory Commission’s Comprehensive Reactor Analysis Bundle (BlueCRAB) available on the Idaho National Laboratory’s high-performance computer, which natively and seamlessly couples Griffin, Pronghorn, and the BISON Multiphysics Object-Oriented Simulation Environment based applications. Griffin provides reactor physics capabilities, including depletion to the equilibrium core, k-eigenvalue, adjoint, and transient. The unique direct equilibrium core capability in Griffin is based on a streamline methodology to spatially deplete the pebbles into burnup groups. Pronghorn solves the porous medium equations for the fluid regions and conduction in the solid regions and incorporates a fluidic diode model to simulate the transition from forced to natural convection during accident scenarios. MOOSE modules solves thermal conduction problems for the pebbles and tristructural isotropic in the pebble-bed core, thus providing the fuel and moderator spatial fields for each pebble burnup group. The neutronics feedback relies primarily on fuel, moderator, and reflector temperatures as as well as the FLiBe salt density. Here, we present results for the uncoupled equilibrium core and perform comparisons to equivalent Monte Carlo models. The power distributions and kinetic parameters obtained with Griffin are consistent with those computed with Griffin. We demonstrate a noticeable improvement with the use of discrete ordinates method (SN) transport. The coupled steady-state equilibrium core provides the initial condition for two time-dependent problems: a control rod withdrawal event and an unprotected loss of flow event. In both cases, the reactor design is self-stabilizing and the solutions are consistent with the expected physics. Although this model is prototypical regarding BlueCRAB’s capabilities, its results are consistent with published work by Kairos Power and other research entities. Significant improvements to the model are planned in future work.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Transient MOC with frequency transform and DSA on unstructured mesh

We present an implementation of the transient method of characteristics (MOC) with isotropic time derivatives, accelerated by diffusion synthetic acceleration (DSA). The fully implicit frequency transform method is used to solve the transient problem with analytic precursor integration. The code works on meshes composed of almost any of the commonly used non-curvilinear finite element types, and can handle the deformation of geometry in time-dependent transport calculations. We present results of a continuous Fourier analysis for the transient multigroup DSA problem, and representative benchmarking results are presented for the C5G7-TD benchmark in 2D showing reasonable performance and agreement compared to other codes. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Ring Model Development and Validation for Prismatic HTGR Core Thermal-hydraulics and Safety Analysis

Because of the complex core geometry, prismatic high temperature gas-cooled reactors (prismatic HTGRs) often exhibit complex thermal fluid behaviors during both normal operating and transient conditions. Most HTGR designs rely on passive safety system for decay heat removal, such as the reactor cavity cooling system (RCCS). During postulated accidents like Pressurized Conduction Cooldown (PCC) event, the decay heat is first radially transferred from the core region to the reactor vessel outer surface, then to the RCCS cooling panels. The peak fuel temperature is controlled by heat transfer mechanisms with two distinctive characteristic length scales, i.e., the core-wise effective heat conduction and local heat conduction in the fuel pellet scale. As both length scales are essential to determine the fuel temperature, from the modeling perspective, computer codes must be able to capture heat transfer in both scales. This is challenging for both computational fluid dynamics (CFD) tools because of extremely large amount of computation resources required, and for system analysis codes because of the challenge to model the complex core geometry. Under the support of DOE-NE’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, efforts have been pursued to support HTGR technology development and its modeling and simulation needs. There is a particular need for advanced modeling and simulation tools to predict thermal-fluid behavior during safety-related transients. In our previous studies, the ring model was adopted in SAM and further developed to simulate the normal operating condition and a PCC event using the MHTGR-350 design of General Atomics as the reference design. This current work represents a continuation of these previous efforts, and the focus is to critically review and examine simplifications and assumptions made to develop the ring model, and to perform code validation using experimental data from an integral-effect test facility, the High Temperature Test Facility (HTTF) at the Oregon State University. In this study, the test PG-27 from the HTTF test suite was selected for code validation purpose. The test PG-27 is a transient test designed to simulate the PCC event of the MHTGR design. Very good agreements between SAM prediction and experimental measurements were found in both coolant and solid structure temperatures during the transient.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Data assimilation for combustion ignition delay time simulation using schlieren image velocimetry

This study sought to improve the accuracy of simulating spray penetration and combustion ignition delay by means of data assimilation (DA). The simulations were conducted using the Reynolds-averaged Navier–Stokes (RANS) equations and assimilating the schlieren image data. In DA, an ensemble square root filter (EnSRF) was used to build the statistical model, making the simulation results more accurate without any change in the governing equations. Recognizing that the spray-cone injection angle has a large effect on penetration, we created ensemble members with different injection angles. And we applied the two-component velocity distribution calculated via SIV and updated both velocity and temperature by using a DA statistical model derived from RANS ensemble simulations. The ignition delay time is generally known to vary even under the same experimental conditions because it is influenced by many factors. In this study, we attempted the transient DA-assisted RANS simulation to predict the ignition delay time even when the temporal resolution and accuracy of the observation data ware insufficient. Our trials offer an example of how a combination of techniques can be effectively used to assimilate experimental data obtained under restricted conditions.

Combustion simulation↗
DOE OSTI2020

Characteristics of Future Warmer Base States in CESM2

Abstract Simulations of 21st century climate with Community Earth System Model version 2 (CESM2) using the standard atmosphere (CAM6), denoted CESM2(CAM6), and the latest generation of the Whole Atmosphere Community Climate Model (WACCM6), denoted CESM2(WACCM6), are presented, and a survey of general results is described. The equilibrium climate sensitivity (ECS) of CESM2(CAM6) is 5.3°C, and CESM2(WACCM6) is 4.8°C, while the transient climate response (TCR) is 2.1°C in CESM2(CAM6) and 2.0°C in CESM2(WACCM6). Thus, these two CESM2 model versions have higher values of ECS than the previous generation of model, the CESM (CAM5) (hereafter CESM1), that had an ECS of 4.1°C, though the CESM2 versions have lower values of TCR compared to the CESM1 with a somewhat higher value of 2.3°C. All model versions produce credible simulations of the time evolution of historical global surface temperature. The higher ECS values for the CESM2 versions are reflected in higher values of global surface temperature increase by 2,100 in CESM2(CAM6) and CESM2(WACCM6) compared to CESM1 between comparable emission scenarios for the high forcing scenario. Future warming among CESM2 model versions and scenarios diverges around 2050. The larger values of TCR and ECS in CESM2(CAM6) compared to CESM1 are manifested by greater warming in the tropics. Associated with a higher climate sensitivity, for CESM2(CAM6) the first instance of an ice‐free Arctic in September occurs for all scenarios and ensemble members in the 2030–2050 time frame, but about a decade later in CESM2(WACCM6), occurring around 2040–2060.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Hydrodynamization times of a holographic fluid far from equilibrium

Here we investigate several hydrodynamization times for an ensemble of different far-from-equilibrium solutions of the strongly coupled $\mathscr{N}$ = 4 supersymmetric Yang-Mills plasma undergoing Bjorken flow. For the ensemble of initial data analyzed in the present work, we find that, with typical tolerances between 3% to 5%, the average hydrodynamization time associated with the late time convergence of the pressure anisotropy to the corresponding Borel resummed hydrodynamic attractor is approximately equal to the average hydrodynamization time associated with the Navier-Stokes result, while both are shorter than the average hydrodynamization time associated with second-order hydrodynamics. On the other hand, we find that the entropy density of the different solutions coalesces to second-order hydrodynamics long before entering in the Navier-Stokes regime. A clear hierarchy between the different average hydrodynamization times of the Bjorken expanding fluid is established for the set of analyzed initial data, comprising also some solutions which, whilst satisfying the dominant and the weak energy conditions at the initial time, evolve such as to transiently violate one or both conditions when the fluid is still far from equilibrium. In particular, solutions violating the weak energy condition are generally found to take a longer time to enter in the hydrodynamic regime than the other solutions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Thermal feedback coupling in a transient Monte Carlo high-order/low-order scheme

Transient simulations of nuclear systems face the computational challenge of resolving both space and time during reactivity changes. A common strategy for tackling this issue is to split the neutron flux into shape and amplitude functions. This split can be solved with high- order/low-order methods. While this multi-fidelity approach has traditionally been reserved for deterministic methods, it is also possible to implement in Monte Carlo as an efficient alternative to Dynamic Monte Carlo. This work implements the frequency transform method with thermal feedback in high-order/low-order Monte Carlo by blending static coupling methods such as single-batch Monte Carlo, with a simple thermal-fluids calculation. While previous work focused solely on prescribed transients, the addition of time-dependent thermal-fluids allows transients to be self-propagating. Tests were run in a fluids-initiated transient to showcase the basic functionalities of this methodology. Preliminary results behave as expected, paving the way for studying more sophisticated thermal-fluids coupling methods. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

The 100-month Swift catalogue of supergiant fast X–ray transients

Supergiant fast X-ray transients (SFXTs) are high mass X-ray binaries (HMXBs) displaying X-ray outbursts that can reach peak luminosities up to 10 38 erg s -1 and spend most of their lives in more quiescent states with luminosities as low as 10 32 -10 33 erg s -1 . During the quiescent states, less luminous flares are also frequently observed with luminosities of 10 34 -10 35 erg s -1 . The main goal of the comprehensive and uniform analysis of the SFXT Swift triggers presented in this paper is to provide tools to predict whether a transient that has no known X-ray counterpart may be an SFXT candidate. These tools can be exploited for the development of future missions exploring the variable X-ray sky through large field-of-view instruments. We examined all available data on outbursts of SFXTs that triggered the Swift/Burst Alert Telescope (BAT) collected between 2005 August 30 and 2014 December 31, in particular those for which broad-band data, including the Swift/X-ray Telescope (XRT) data, are also available. This work complements and extends our previous catalogue of SFXT flares detected by BAT from 2005 February 12 to 2013 May 31, since we now include the additional BAT triggers recorded until the end of 2014 (i.e. beyond the formal first 100 months of the Swift mission). Due to a change in the mission’s observational strategy, virtually no SFXT triggers obtained a broad-band response after 2014. We processed all BAT and XRT data uniformly by using the Swift Burst Analyser to produce spectral evolution dependent flux light curves for each outburst in the sample. The BAT data allowed us to infer useful diagnostics to set SFXT triggers apart from the general γ-ray burst population, showing that SFXTs uniquely give rise to image triggers and are simultaneously very long, faint, and ‘soft’ hard-X-ray transients. We find that the BAT data alone can discriminate very well the SFXTs from other classes of fast transients, such as anomalous X-ray pulsars and soft gamma repeaters. On the contrary, the XRT data collected around the time of the BAT triggers are shown to be decisive for distinguishing SFXTs from, for instance, accreting millisecond X-ray pulsars and jetted tidal disruption events. The XRT observations of 35 (out of 52 in total) SFXT BAT triggers show that in the soft X-ray energy band, SFXTs display a decay in flux from the peak of the outburst of at least three orders of magnitude within a day and rarely undergo large re-brightening episodes, favouring in most cases a rapid decay down to the quiescent level within three to five days (at most).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

The Monolithic Heat Pipe Microreactor Reference Plant Model

This work introduces a reference plant model for a generic monolithic heat-pipe-cooled microreactor. The model will serve as a springboard to develop future evaluation models in the licensing process of similar microreactor designs at the U.S. Nuclear Regulatory Commission. This model has been developed with the Comprehensive Reactor Analysis Bundle and its specifications are based on open literature publications for the eVinci TM design. BlueCRAB is the U.S. Nu- clear Regulatory Commission non-light-water reactor analysis system based on the Multiphysics Object-Oriented Simulation Environment framework, which can couple the Griffin, BISON, and Sockeye applications to resolve the various physics that are essential for the safety analysis of this type of reactor system. The core specifications includes tristructural isotropic fuel, graphite monolith, graphite reflectors, and drums composed of graphite and B 4 C. No moderator or burnable poison pins are used in the design. The fuel enrichment is reduced to control excess reactivity in the core. This core design is not optimized and only serves for testing purposes, since the primary objective of this work is to exercise the multiphysics coupling for this type of reactor system. A three dimensional (3D) core heterogeneous Griffin discrete ordinates (SN) transport model allows the precise calculation of the flux distribution and pin powers. Griffin transfers the power density distribution and obtains a temperature distribution to and from BISON. The BISON model com- putes the 3D core temperature distribution and is coupled to 876 Sockeye subapplications running a heat pipe model. This 3D conduction model is coupled to the various heat pipes via heat flux boundary conditions. The model includes a small gap between the heat pipe and the monolith. Convective heat transfer boundaries with either ambient temperature or condenser temperature as heat sinks are imposed at the model boundaries. The 2D Sockeye heat pipe model uses a vapor- only methodology, which provides the needed resolution for transient calculations and allows the determination of various heat pipe limits. This approach is superior to the superconductor model traditionally used in steady-state calculations. BlueCRAB computes steady-state power and temperature distributions that serve as the initial condition for a loss-of-heat-sink transient simulation. The steady-state results show significant peaking due to the position of the control drum, but this is a characteristic of the particular design used, which is not optimized at this stage. The transient results show the reactor power slowly stabilizing towards a 3% power level after the partial loss of secondary heat removal. Several recriticalities are observed due to cooling through the secondary system but the reactor is self-stabilizing and behaves as expected.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Simulation and generalized Langevin equation study of lipid subdiffusion in biomembrane phases

In biomembranes lipid mobility exhibits deviations from the classical diffusive behavior of Brownian particles, i.e. ‘anomalous’ diffusion. The question arises as to how this anomalous diffusive behavior varies in gel, ripple, and fluid biomembrane phases. Here, in this study, we perform all-atom molecular dynamics (MD) simulations of dimyristoylphosphatidylcholine (DMPC) bilayers in the three different phases and analyze the results using the framework of the Generalized Langevin Equation (GLE). This analysis emphasizes sub-diffusive behavior on the relatively short, picosecond-nanosecond timescales, capturing local molecular constraints and transient caging effects during the crossover of atomic dynamics from vibrational to incipient anharmonic motion. The ripple and gel phases are found to exhibit strong transient caging and prolonged memory effects resulting in distinct sub-diffusive behavior. The role of hydrogen bonding in lipid confinement is also examined, demonstrating its influence on phase-dependent molecular ordering and on short-time diffusional constraints. These findings demonstrate the GLE framework’s utility in characterizing molecular transport and lipid dynamics, with implications for longer timescale membrane dynamics.

Malik, Sheeba [Oak Ridge National Laboratory (ORNL↗
DOE OSTI2022

Nonideal Fields Solve the Injection Problem in Relativistic Reconnection

Magnetic reconnection in relativistic plasmas is well established as a fast and efficient particle accelerator, capable of explaining the most dramatic astrophysical flares. With particle-in-cell simulations, we demonstrate the importance of nonideal fields for the early stages (“injection”) of particle acceleration. Most of the particles ending up with high energies (near or above the mean magnetic energy per particle) must have passed through nonideal regions where the assumptions of ideal magnetohydrodynamics are broken (i.e., regions with E > B or nonzero E ∥ = E ∙ B/B), whereas most of the particles that do not experience nonideal fields end up with Lorentz factors of order unity. So, injection by nonideal fields is a necessary prerequisite for further acceleration. Our results have important implications for the origin of nonthermal particles in high-energy astrophysical sources.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Transient Modelling of HTGR Thermal Load Follow in Modelica

The ability of nuclear power plants to load follow electrical power demand is particularly important as we move to higher variable renewable (VRE) energy production on low carbon energy grids. High temperature gas reactors (HTGRs) are capable of load following by adjusting thermal output, but their high temperatures and thermal inertia significantly impact the power transients they are able to follow. To aid investigation into new integrated energy systems with advanced reactors, it is necessary to have an open-source transient model of a full HTGR primary and secondary. This paper introduces two new open-source models for a HTGR and corresponding balance of plant (BOP) written for the HYBRID library developed at Idaho National Laboratory. A transient thermal load follow test case was taken by the work from Brits et al. to benchmark our open-source model against transient operation results from other proprietary codes that exist. The control scheme for the two new models in combination is discussed and a comparison of the response in transient load follow between the two codes performed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

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↗
DOE OSTI2024

High Performance Heat Pipe Power Transient Testing at SPHERE Facility

Microreactors are being researched, designed, and built at Idaho National Laboratory (INL). Microreactors are small reactors defined at less than 20MW of power. These reactor concepts are also being looked at throughout industry for various applications. An important aspect of these reactor designs is economic feasibility i.e. lower overnight capital cost. The driving factors for implementing microreactors are quick setup and takedown, minimal operators, and the ability to manufacture them readily and to fit in mid-sized containers for transport. A specific area of research to aid in successful integration of these factors within the designs is passive heat removal of the core’s thermal power. Interest in heat pipes to achieve this passive heat removal has been shown across multiple industry partners. Because of this interest, INL has developed a test facility to facilitate experimental tests for sodium filled heat pipes. INL has developed the Single Primary Heat Extraction and Removal Emulator (SPHERE) facility to run experiments on high performance, sodium filled heat pipes. As mentioned above, heat pipes are passive heat transfer devices. Radially, heat pipes are broken up into an outer wall, a small annular gap, a wick structure, and a centerline gap. They function by utilizing latent heat transfer. Heat pipes are traditionally separated into three regions, an evaporator (heat input), an adiabatic region, and finally a condenser region (heat removal). As heat is being applied to the evaporator, the working fluid undergoes a phase change to a vapor. This phase change causes a differential pressure across the axial length of the pipe driving flow down the center gap of the heat pipe. The vapor flows down past the adiabatic region to the condenser where the heat is removed. This heat removal forces the working fluid to phase change back to a liquid. The wick structure is then utilized to drive the flow back towards the evaporator by capillary forces. This backflow is aided by the annular gap. Because this heat transfer mechanism functions with latent heat transfer, the heat pipe is close to isothermal down the axial length. Heat pipes can operate under a wide range of working fluids. Considerations for these working fluids are primarily driven by operating temperatures amongst other important factors based around overall performance. Sodium filled heat pipes operate from 450°C up to 900°C. This temperature range works well for the current microreactor designs. In conjunction with this experimental capability, INL has developed a modeling software to simulate heat pipe physics within reactor cores. This modeling software is called Sockeye and functions under the established INL Multiphysics Object Oriented Simulation Environment (MOOSE). SPHERE also supports Sockeye development by providing the modeling team with experimental data on an array of setups and operating parameters to support validation efforts. A power transient experiment was performed utilizing the SPHERE facility to continue to aid with Sockeye development. The testing followed a proposed test plan to ramp up and down the temperature of the heat pipe. Sockeye models steady state heat pipe operation with high accuracy, the data provided by the power transient testing aims to assist with the validation efforts and further enhance transient modeling capability of the tool [2].

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Ultrafast disruptive probing: Simultaneously keeping track of tens of reaction pathways

Ultrafast science depends on different implementations of the well-known pump–probe method. Here, we provide a formal description of ultrafast disruptive probing, a method in which the probe pulse disrupts a transient species that may be a metastable ion or a transient state of matter. Disruptive probing has the advantage of allowing for simultaneous tracking of the yield of tens of different processes. Our presentation includes a numerical model and experimental data on multiple products resulting from the strong-field ionization of two different molecules, partially deuterated methanol and norbornene. The correlated enhancement and depletion signals between all the different fragmentation channels offer comprehensive information on photochemical reaction pathways. In combination with ion imaging and/or coincidence momentum imaging or as complementary to atom-specific probing or ultrafast diffraction methods, disruptive probing is a particularly powerful tool for the study of strong-field laser–matter interactions.

47 OTHER INSTRUMENTATION↗