A Phase-Field Discrete Element Method to study chemo-mechanical coupling in granular materials

• Published in: Computer methods in applied mechanics and engineering 2024-05, Vol.424, p.116900, Article 116900
• Main Authors: Sac-Morane, Alexandre, Veveakis, Manolis, Rattez, Hadrien
• Format: Article
• Language: English
• Subjects: Chemo-mechanical couplings; Discrete element model; Granular material; Phase field; Pressure solution
• ISSN: 0045-7825; 1879-2138
• DOI: 10.1016/j.cma.2024.116900

This paper presents an extension of the discrete element method using a phase-field formulation to incorporate grain shape and its evolution. The introduction of a phase variable enables an effective representation of grain geometry and facilitates the application of physical laws, such as chemo-mechanical couplings, for modeling shape changes. These physical laws are solved numerically using the finite element method coupled in a staggered scheme to the discrete element model. The efficacy of the proposed Phase-Field Discrete Element Model (PFDEM) is demonstrated through its ability to accurately capture the real grain shape in a material subjected to dissolution only and compute the stress evolution. It is then applied to model the phenomenon of pressure solution involving dissolution and precipitation in granular materials at the microscale and enables to reproduce the creep response observed experimentally. This framework contributes to the enhanced understanding and simulation of complex behaviors in granular materials and sedimentary rocks for many geological processes like diagenesis or earthquake nucleation. •Coupling between PF and DEM to incorporate grain shape and its evolution.•The grain shape influes the behavior to an oedometer test under acid injection.•Model the phenomenon of pressure solution at the microstructural level.