MSFR Nek5000 CFD Modeling
Contact: Jun Fang, fangj.at.anl.gov
Model link: MSFR CFD Models
Computational Fluid Dynamics (CFD) plays an unique role in the research and development (R&D) of Molten Salt Fast Reactor (MSFR). As a great complement to experiments, it offers a cost effective way to study the complex thermal fluid physics expected in the MSFR system. For certain advanced nuclear reactor concepts (e.g., MSFR) where the related experimental data is very scarce or not available, CFD also provides much needed reference to develop and calibrate reactor design tools. In this VTB documentation, you will find examples for a series of CFD simulations developed to model the coolant flow in MSFR core cavity. The related models range from relatively low-cost 2-D Reynolds-Averaged Navier Stokes (RANS) simulations to more accurate 3-D Large Eddy Simulations (LES). The NEAMS signature CFD code, Nek5000 is used here for the corresponding CFD calculations. Nek5000 is an open source CFD code based on the spectral element method (SEM) with a long history of application in reactor thermal-hydraulics research (Merzari et al., 2017).
Though the various CFD modeling approaches and case studies, one primary motivation is to seek an in-depth understanding of how the internal velocity distribution can be influenced by the MSFR core cavity shape, the Reynolds number, turbulence modeling options and the inlet boundary conditions. In the following sections, we will go through all the components one would expect in a typical CFD investigation, and provide detailed descriptions about the numerical methods, case setups, key results and discoveries.
This documentation assumes that reader has basic knowledge of Nek5000, and is able to run the example cases provided in Nek5000 tutorial. The specific Nek5000 version used here is v19.0. Although Nek5000 input files are not tested regularly in the Moose CI test suite, Nek5000 does offer reliable backward compability. No foreseeable compability issues are expected. In rare situations where there is indeed a compability issue, please reach out to the Nek5000 developer team via Nek5000 Google Group.
CFD solver and turbulence modeling
Nek5000 is based on the Spectrum Element Method (SEM), which combines the accuracy of spectral methods with the domain flexibility of the finite element method. In Nek5000 calculations, the domain is discretized into curvilinear hexahedral elements, in which the solution is represented as a tensor product of -order Lagrange polynomials based on the Gauss-Lobatto-Legendre (GLL) nodal points, leading to a total number of grid points . Nek5000 was designed from the outset of distributed-memory platforms. It is highly parallel and has been previously applied to a wide range of problems to gain unprecedented insight into the physics of turbulence in complex flows. The time-stepping scheme of Nek5000 is semi-implicit: the diffusion terms of the Navier-Stocks equations are treated implicitly by using a -order backward difference formula (), while nonlinear terms are approximated by a -order extrapolation (). Nek5000 was originally developed for simulating turbulent flows with very high fidelity, i.e. DNS and LES. More recently, the RANS capability has been implemented in the form of the regularized models and the model (Tomboulides et al., 2018; Fang et al., 2021). Both LES and DNS require proper resolution of turbulent length scales, which can be very expensive computationally. Considering the problem size involved in MSFR core flow simulations, the RANS model would be a more practical option, especially with high Reynolds numbers. A spectrum of CFD models have been developed for MSFR core, which ranges from fast-running 2-D axisymmetric RANS cases, 3-D partial core RANS model, and a more accurate full-core LES model at moderate Reynolds number. This model suite provides a variety of examples for anyone who is interested in using Nek5000 for MSFR related CFD simulations with different fidelities and computational costs.
The incompressible formulation of Nek5000 is used in the current study which assumes a Newtonian fluid with constant properties. The corresponding continuity, momentum and energy equations are listed below:
where is the velocity, is the pressure, is the temperature, is the fluid density, stands for the kinematic viscosity, is the Prandtl number, is the heat generation in the fluid while is the heat capacity.
To model the highly turbulent flows, the RANS models have been recently implemented in Nek5000, including the model and its variation, the model. The equations for and are derived from the equations (Tomboulides et al., 2018) by using the definition . The corresponding transport equations are as follows
In contrast to the original form of the model, in which the equation contains terms that become singular close to wall boundaries, all terms in the right-hand side of the and equations reach a finite limit at walls and do not need to be treated asymptotically; that is, they do not require regularization for numerical implementation. As a result, the model is noticed to be more robust. The model in Nek5000 has been benchmarked extensively across a variety of canonical cases including channel flow and the backward facing step, and it has been also applied to fuel rod bundle geometry. Interested readers can refer to the recent publication (Fang et al., 2021) for more details regarding the application and validation in fuel rod bundles.
Both LES and RANS approaches play unique roles here. The LES approach is utilized to produce high-fidelity reference data to reveal 3-D system behavior in MSFR core. It uses the stabilizing filter of Fischer and Mullen (Fischer and Mullen, 2001). The solution at each time step is explicitly filtered and the filtering operator is defined as
where is the identity operator and is the interpolation operator at the GLL nodes. This filter preserves the desirable spectral convergence of SEM as the mesh resolution increases. In addition, a characteristics based time-stepping (Maday et al., 1990) has been used in the LES runs to avoid the limitations imposed by the Courant-Friedrichs-Lewy (CFL) number due to the explicit treatment of the non-linear convection term.
Model setups
The specific reactor model considered herein is based upon the MSFR design created under the Euratom EVOL project (Rouch et al., 2014). The reference MSFR is a 3000 MW fast-spectrum reactor with three different circuits: the fuel circuit, the intermediate circuit and the power conversion circuit. In the fuel circuit, there are 16 groups of pumps and heat exchangers around the core. The flow conditions and thermophysical properties of the primary/fuel salt are derived from Rouch et al. (2014) and listed in Table 1. The core has a height of 1.6 m along the centerline, and a height of 2.65 m in the peripheral region. The reactor radius ranges from 1.05 to 1.53 m. The peripheral wall is a curved surface resulting in the entire core resembling the shape of a stout hourglass. Leveraging the existing MSFR studies published in the literature, the Geometry II investigated by Rouch et al. (2014) is selected as the reference geometry for our CFD simulations.
Table 1: Reference flow conditions and thermo-physical properties of fuel salt in the primary circuit.
Parameter | Value | Unit |
---|---|---|
Parameter | Value | Unit |
Mass flow rate | 18932.2 | |
Mean core temperature | 675 | |
Salt density (T=675) | 4147.29 | |
Salt heat capacity (T=675) | 1524.86 | |
Salt viscosity (T=675) | 0.011266 | |
Salt thermal conductivity (T=675) | 1.007645 | |
Minimum core radius | 1.054 | |
Mean flow velocity at minimum core radius | 1.308 | |
Estimated Reynolds number () | ||
Estimated Prandtl number () | 17.05 | |
Estimated Peclet number () |
The meshes for this model are hosted on LFS. Please refer to LFS instructions
A 2-D axisymmetric core model is first created for Nek5000 RANS simulations. The geometric model /and mesh are generated using the open-source meshing software, GMSH. Note that the ex-core components in the primary loop, such as the pumps and heat exchangers, are not modeled in this work. Future work may consider modeling these components via porous medium models or coupling to a system level tool, such as SAM, especially for the primary heat exchanger. The entire model consists of the core cavity region and the inlet and outlet channels. Our scoping study shows that the curved cavity walls and the bent inlet/outlet elbows are essential in producing a relatively uniform velocity distribution inside the core cavity. Moreover, the inlet channel is extruded accordingly to have a more developed inflow condition when the molten salt enters the core, while the extrusion of outlet helps prevent the backflow issue. A parabolic velocity profile is specified at the inlet face and the natural pressure boundary condition is given to the outlet face. The no-slip condition is applied to all the wall surfaces. A pure hexahedral mesh is generated with 3,700 elements (as shown in Figure 1). In addition, to facilitate the axisymmetric solver in Nek5000, the core centerline is rotated and aligned along the x-axis as shown in the Figure 1. The molten salt flow enters the core from the bottom channel (left) and exits from the top (right). A series of 2-D axisymmetric RANS cases are simulated at multiple Reynolds numbers of , , , , and .

Figure 1: Computational mesh of the 2-D axisymmetric MSFR core model.
In addition to the 2-D RANS models, significant efforts have been invested in generating a more representative 3-D full-core models to better predict the related thermal-fluid phenomena in the /MSFR core cavity (as shown in Figure 2). According to the proposed MSFR designs by the Euratom EVOL project, sixteen external loops are considered in the 3-D model around the MSFR core. The core height, diameter, inlet/outlet widths are all kept the same as those used in the 2-D axisymmetric model. Similar extrusion treatment is applied to the inlet and outlet faces to help the 3-D CFD model better converge. As mentioned earlier, the 3-D full core model is simulated with the LES approach to allow for more accurate turbulence modeling compared to the 2-D RANS models. Since a full-fledged full core LES will require considerable amount of computing power, a demonstrative full core LES case with the coarsened mesh and relatively low-polynomial order is conducted with Nek5000, which is used to prove the feasibility of a high-fidelity CFD model of the 3-D MSFR full-core.

Figure 2: The mesh of the 3-D MSFR full core model.
Due to the high computational costs associated with the full-core MSFR model, selected partial-core wedge models are also created accounting for 1/16 of the full core region. The related 3-D simulations are much less demanding computationally. As shown in Figure 3, three types of wedge domains are studied to better understand how the CFD results can be influenced by the inflow boundary conditions. They are labeled as WA, WB and WC, respectively. Geometry WA contains one set of inlet and outlet channels that match the dimensions in the full core model. The side faces are assigned the symmetry boundary condition for the core region and the no-slip condition for the inlet/outlet. Geometry WB also includes one set of inlet and outlet channels, but they are adjusted to be a 3-D equivalent of the 2-D axisymmetic case setup. The symmetry boundary condition is applied to side faces of both core and inlet/outlet channel. Lastly, geometry WC includes two half sets of inlet and outlet channels where the inlet/outlet mid-planes are aligned with core side faces. The symmetry boundary condition is specified to side faces as in geometry WB.

Figure 3: Computational meshes of 3 types of MSFR wedge model: top views (top) and side views (bottom).
Nek5000 Case setups
In this section, we are going through the Nek5000 case setups for both RANS and LES cases. A more detailed Nek5000 tutorial is available online. Readers are encouraged to read through the online tutorial first if new to Nek.
RANS Simultion
For a typical Nek5000 case, the user file *.usr is where users can customize the case settings, such as model selection, boundary and initial conditions, and post-processing. And the user file is arranged into individual code blocks. The 2-D axisymmetric and 3-D wedge cases are solved with the RANS model. To turn on the model, one can switch the model flag to 4 in the code block usrdat3 in the *.usr file. An example is given below.
(msr/msfr/core_cfd/2d_rans_Re1M/msfr.usr)In addition, the user also needs to update the conductivity and diffusivity accounting for the contributions from RANS model. The following code snippet should be added in the code block uservp to update the convection and diffusion parameters:
(msr/msfr/core_cfd/2d_rans_Re1M/msfr.usr)And the snippet below should be added to the block userq to update the scalar source terms:
(msr/msfr/core_cfd/2d_rans_Re1M/msfr.usr)For a mesh produced by open-source tool GMSH, the Nek5000 relies on the physical group ids to specify the boundary conditions. There are 4 groups in the current case, which covers the boundary edges of domain inlet(1), outlet(2), wall(3), and the axisymmetric axis(4). The following code snippet showcases how the boundary condition tags are given to the model entities.
(msr/msfr/core_cfd/2d_rans_Re1M/msfr.usr)Due to the large size of mesh files used by 3-D cases, the online reporitory provides the original GMSH scripts and links to the related mesh files on Github Large File System. The user can also generate the mesh file using GMSH, and then convert it into Nek supported format (*.re2) using the Nek utility gmsh2nek.
When generating the mesh in GMSH using the model script, user should make sure a 2nd order mesh is generated by clicking Set order 2 in GMSH GUI. When exporting the mesh, please select Version 2 and uncheck "Save all elements". Rename the resulting mesh file if necessary so it has the *.msh extension.
As for the initial conditions, one can either utilize the trivial fields of zero for velocity and scalars, or load the existing solutions by providing the path to the restart file in the par file. In the case of user-specified initial conditions, one can update the useric block in the user file.
(msr/msfr/core_cfd/2d_rans_Re1M/msfr.usr)The specific boundary condition can be provided in the userbc block. Since the settings of domain outlet, no-slip wall, and the axisymmetric axis can be handled in a default manner, the userbc()
only contains the specifications of inlet boundary. A constant velocity is given at the inlet, and the direction of inlet velocity is parallel to the inlet channel. Note that a turb_in
function is used to compute the proper bc values for and variables on the inlet boundary.
It is recommended to use non-dimensional parameters for Nek5000 simulations. As a result, a set of dimensionless input parameters are provided in the current case. One of key parameters is the Reynolds number (), which indicates the level of turbulence intensity in the system. All the key input parameters are given in the par file, and a code snippet of the velocity solving is as follows
(msr/msfr/core_cfd/2d_rans_Re1M/msfr.par)LES Simultion
The LES case setups are relatively simpler, and one only need to provide the filter settings in par file. An example can be found below:
(msr/msfr/core_cfd/3d_fullcore_les/msfr.par)A detailed description about LES filters used in Nek can be found in Nek5000 tutorial. Users are encouraged to check out the case files (particularly usr and par files) that are provided in the VTB repository to get a better idea how the RANS and LES cases are established.
Besides the key case setup files mentioned above, users can also find other files in the case folders, such as SIZE, limits.f and utilities.f. SIZE is used to specify Nek5000 discretization parameters, while limits.f and utilities.f contain some of the most useful user functions developed for Nek5000 in-situ analysis or post-processing. In general, no or minimum editing is required for these files.
MSFR CFD Results
The 2-D axisymmetric RANS cases were simulated at multiple Reynolds numbers up to the reference operation condition () defined based on the length and flow velocity at minimum core diameter. For the wall-resolved unsteady RANS simulations, the first layer of grid points off the wall is kept at an average distance of . After a quick initial transient phase, all the simulations reach a steady state. Taking the case of as an example, the corresponding steady-state solutions of non-dimensional velocity and turbulent kinetic energy (TKE) fields are shown in Figure 4. Higher velocity magnitudes are observed close to inlet and outlet elbows due to the specific geometric designs. Although a large percentage of the bulk flow at minimum core diameter sees a stable upward flow, lower velocity regions are noticed close to bottom and top along the centerline. It might be an indicator that a 2-D axisymmetric setup is not best suited to predict MSFR core flow distribution, or it is possible that further core geometry optimization is needed. As for the TKE field, the regions of large TKE value correspond to where the flow is forced to change direction, indicating strong local flow mixing.

Figure 4: Steady-state solutions from the 2-D MSFR RANS simulation at Re = : (a) velocity, (b) turbulent kinetic energy.
A closer look at the velocity field along the core centerline is shown in Figure 5 where velocity vectors are scaled by the local velocity magnitude. It is noticed that internal re-circulations are present near the core bottom (left side of the plot) and top (right side). In general, such re-circulations are not desired, and will affect the heat removal performance from the central core region.

Figure 5: Local velocity field close to core centerline with arrows indicating velocity direction and magnitude.
The series of 2-D RANS simulations conducted at various Reynolds numbers is also useful to understand the dependency of salt flow distribution on Reynolds number (or the salt mass flow rate). The study can provide a guideline to coarse-mesh CFD or system codes in modeling MSFR transient scenarios, such as the reactor startup. Figure 6 illustrates the axial velocity profiles at the minimum core diameter with different Reynolds numbers. In general, the velocity magnitude is low at the centerline (), and it increases steadily in the radial direction up to . When , the velocity profile seems to oscillate, and does not exhibit a common trend over different Reynolds numbers. Once a peak is reached, the velocity magnitude would drop monotonically to zero at the peripheral wall. It is noted that with a low Reynolds number (e.g., ), the axial velocity could even have a reversed direction at the centerline.

Figure 6: Radial distribution of axial velocity at different Reynolds numbers.
Meanwhile, the full-core LES case is performed on a mesh of 660,000 elements at a polynomial order of 5. The corresponding Reynolds number is about 20,000. A turbulent outflow treatment is applied at the outflow faces to avoid the backflow. As shown in Figure 7, strong turbulence is being developed at the core bottom where the molten salt is injected into the core cavity. The regions of large velocity fluctuation correspond well to the high TKE spots revealed by Figure 4b. The LES case was simulated for 20 convective time units (CTU), where one CTU is defined as the time required for the mean flow to move a distance of one core radius (i.e., CTU). The instantaneous LES solutions are averaged over a period of 10 CTUs (from 10 to 20) to obtain the time-averaged flow field. A comparison of axial velocity field from 2-D axisymmetric RANS calculations and 3-D full-core LES simulations is illustrated in Figure 8. The most noticeable difference is the prediction of velocity field along the core centerline. The 2-D RANS model significantly underpredicts the axial velocity magnitude in the related regions, indicating that the two-equation or model may have a limitation in accurately modeling the turbulence in the MSFR core cavity (at least with a 2-D axisymmetric setup). Other RANS turbulence models will be also considered in the subsequent studies to find out the best modeling strategy balancing accuracy and computational costs. The difference is also noted for the velocity field close to bottom inlet. A modest separation is observed in the LES results which does not show up in the RANS solution. This is likely attributed to axisymmetric assumption in the 2-D case setup. Note that the core mass flow rate is fixed in both 2-D RANS and 3-D LES cases, and it is expected for the inlet velocity to be higher in the 3-D case due to the reduced total inlet area. The presented LES simulation is likely a bit under-resolved due to the limited computational resources available for this work. Having said that, it is clear that a 3-D MSFR full core LES is feasible and can help reveal possible limitations of RANS modeling.

Figure 7: A volumetric rendering snapshot of instantaneous velocity field from MSFR full-core LES model at .

Figure 8: Comparison of the RANS (a) and time-averaged LES (b) results of axial velocity field.
In between the fast yet less accurate 2-D simulations and the accurate but computationally demanding 3-D full-core simulations, the CFD simulations of a wedge domain can potentially achieve a good balance of efficiency and accuracy. As shown in Figure 3, three wedge domains are considered in this work. The corresponding RANS solutions are presented in Figure 9 for cases WA, WB and WC. Note that the inlet channel in both cases WA and WC is a rectangular duct which is the same as in the 3-D full-core model. Meanwhile, the case WB is a 3-D equivalent of the 2-D axisymetric domain through a circumferential rotation. The inlet channel of case WB is a partial ring (as illustrated in Figure 3). As shown in Figure 10, it is no surprise that the case WB almost reproduces the results of the corresponding 2-D axisymmetric case. Compared to case WB, both case WA and WC show higher velocity magnitude close to the core centerline. Additionally, both cases WA and WC capture the modest flow separation region close to the curved wall near the inlet. It indicates that a proper representation of the inlet duct is important for the prediction of internal flow distribution. In other words, the axisymmetric assumption may have negative impact on the overall prediction quality. Due to the increase of flow area from the inlet channel to the core region, the URANS solutions from cases WA and WC exhibit some level of fluctuations. The fluctuations are more prominent in case WA because of the additional change in boundary condition from no-slip condition on inlet side face to the symmetry condition on core side face. As a result, only a quasi steady state can be reached in simulations of WA and WC. Overall, results from case WA and WC agree with each other except that WA results appear to be more oscillatory.

Figure 9: Velocity field from the 3-D RANS simulations of the wedge domains at .

Figure 10: Radial distribution of axial velocity from the 2-D axisymmetric and 3-D wedge cases at .
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