Clay micromechanics: mapping the future of particle-scale modelling of clay
File(s)
Published version
Author(s)
Pagano, Arianna Gea
Alonso-Marroquin, Fernando
Ioannidou, Katerina
Radjai, Farhang
O'Sullivan, Catherine
Type
Conference Paper
Abstract
Geotechnical engineers need to predict the macroscopic behaviour of clays in terms of strength, stiffness, and permeability and the variation in these properties during deformation. Engineers also need to predict the influence of environmental variables (temperature, pressure, pore-fluid chemistry) on these engineering properties. Particle-based methods, which explicitly model individual clay platelets and their interactions, can help identify the fundamental mechanisms that govern the engineering behaviour. Virtual samples can be created, and simulations can consider application of mechanical loading or change in the environmental conditions to generate data on particle kinematics and interparticle interactions. Particlebased models can be used to simulate stress and strain paths that are not easy to reproduce in physical experiments. This approach to simulation also enables parametric studies to understand the sensitivity of the overall behaviour to various particle characteristics and the nature of the particle interactions. This contribution provides a review of the state-of-theart of existing particle-based models for clays, namely Discrete Element Method (DEM), Monte Carlo method (MC), and Molecular Dynamics (MD). The technical challenges, advantages, and disadvantages of each method for the simulation of clays are presented and discussed, together with the technical developments we would like to see over the next decade to realize the full potential of these modelling tools.
Editor(s)
DaFonseca, AV
Ferreira, C
Date Issued
2024-07-02
Date Acceptance
2023-09-01
Citation
E3S Web of Conferences, 2024, 544
ISSN
2267-1242
Publisher
EDP Sciences
Journal / Book Title
E3S Web of Conferences
Volume
544
Copyright Statement
© The Authors, published by EDP Sciences. This is an open access article distributed under the terms of the Creative Commons Attribution License 4.0 (http ://creativecommons.org/licenses/by/4.0/).
License URL
Identifier
10.1051/e3sconf/202454407009
Source
8th International Symposium on Deformation Characteristics of Geomaterials (IS-Porto)
Subjects
BEHAVIOR
clay micromechanics
clay modelling
DEFORMATION
DEM
DISCRETE-ELEMENT METHOD
Engineering
Engineering, Civil
Geochemistry & Geophysics
KAOLINITE
MC
MD
MOLECULAR-DYNAMICS
NUMERICAL-SIMULATION
Physical Sciences
SCHEME
Science & Technology
Technology
WATER
Publication Status
Published
Start Date
2023-09-03
Finish Date
2023-09-06
Coverage Spatial
Porto, Portugal
Date Publish Online
2024-07-02