Accompanying dataset for the paper: "Adaptive FEM-DEM bridging coupling for third-body evolution in sheared granular media"

Contributions Voisin-Leprince Manon: development of the coupling algorithms, data analysis and writing of the paper Molinari Jean-François: research direction and writing of the paper Anciaux Guillaume: research direction, development of coupling algorithms, writing of the paper and data curation Funding sources Grant 200021_197152, entitled "Wear across scales" by the Swiss National Science Foundation Data structure and information The data folder contains the scripts to reproduce the results of the paper, while the notebook folder contains scripts to plot the results. The directories Script contain the actual configuration files for lammps and libmultiscale simulations, whereas Post_processing directories contain the script used to produce figures. Additional README.md files are provided in subfolders. data : comprehensive input and output for simulations and plots Adaptive-coupling-rigid-bodies : Referring to section 5 in the paper Coupling : Coupled simulation input scripts DEM : DEM geometry preparation Post_processing : Analysis and plots Adaptive-coupling-validation-DEM : Referring to section 4.2 in the paper DEM : DEM geometry preparation Post_processing : Analysis and plots Script : Coupled simulation input scripts Adaptive-coupling-validation-MD : Referring to section 4.1 in the paper md_fem_adaptif : Coupled simulation input scripts md_fem_no_adaptif : Coupled simulation input scripts post_processing : Analysis and plots Boundaries-impact : Referring to section 2 in the paper DEM_d0_1.3 : DEM packings (from 10.1007/s40571-024-00788-x) Post_processing : Analysis and plots Simu_DEM : DEM simulation input scripts (single-scale) notebooks: scripts to produce main figures of the paper. Paper Description The frictional behavior of dry solids in sliding contact is significantly affected by the formation and accumulation of wear particles at the interface. These particles create an amorphous layer known as the third body, which undergoes intense deformation. We show that accurately capturing the evolution of the third body requires a precise modeling of the physical dimensions of the surrounding elastic bodies and boundary conditions. This implies that a computational tribology simulation engine must resolve both the fine-scale dynamics of wear particles and the large-scale structural dimensions of the sliding bodies. To address this challenge, we employ a coupled Finite Element Method (FEM) and Discrete Element Method (DEM) approach. The DEM is used to model the third body, where grain-scale discretization is crucial, while the FEM represents the first bodies as a continuum, reducing computational cost. The coupling between FEM and DEM is achieved using the bridging method. To allow unrestricted growth of the third body beyond the initial discrete region, we implement an adaptive coupling mechanism that enables FEM regions to transition into DEM regions. This transition occurs when a predefined criterion is met, based on the average change in neighboring particles. Our approach is validated for both amorphous materials and ordered crystalline lattices. Finally, as a proof of concept, we apply the adaptive coupling framework to simulate the evolution of a third body initially composed of stiff elliptical particles.