MFIX Simulation Scripts and Open Source code for research paper entitled "Investigating frictional instability due to pressurization in granular media: insights from Investigating frictional instability due to pressurization in granular media: insights from coupled computational fluid dynamics–discrete element method"

This dataset includes the open-source MFIX simulation scripts used in the research paper titled “Investigating frictional instability due to pressurization in granular media: insights from CFD–DEM simulations.” It includes the MFIX source code archive, mfix-23.1.1.tar, which corresponds to the MFIX version used to run these simulations. The simulation files are also provided in a ZIP file named MFiX_scripts.zip, which contains two main folders: Drained and Undrained. These folders contain representative MFIX simulation files for the drained and undrained simple shear models. Each folder includes the necessary input files to run or reproduce the simulations in MFIX. For example, one of the drained model folders includes the following main files: mdn13_R1_ok1_2_P06.mfxThis is the main MFIX simulation input file. particle_input.datThis file contains the particle data generated in MFIX and used as input for the simulation. usr1.fThis user-defined function is used to apply fluid pressurization from the bottom boundary of the model. usr0.f, bc_mod.f, calc_force_dem.f, cfnewvalues.f, and physprop_mod.fThese files are used to control the normal and shear stresses applied by the top plate through a servo-control method. The file run_mfix_job.cmd is the batch script used to run the simulation on the computing cluster. A tutorial for running the simulations can be found at the following link: https://mfix.netl.doe.gov/doc/mfix/23.1/html/tutorials/index.html. The simulation was run using the following steps: Step 1: In the directory containing the user-defined functions, load the required modules and build the MFIX solver: module load mfix/23.1.1module load cmake/3.24.1CC=mpiicc FC=mpiifort build_mfixsolver -s none --dmp Step 2: Submit the job using the batch script run_mfix_job.cmd.