Imperial College London
Alternate

DrPaulTangney

Faculty of Engineering, Department of Materials

Senior Lecturer
 
 
 
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Contact

 

+44 (0)20 7594 8155p.tangney Website

 
 
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Location

 

B330Bessemer BuildingSouth Kensington Campus

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Summary

 

Publications

Citation

BibTex format

@inproceedings{Bandera:2019:e3sconf/20199214001,
author = {Bandera, S and O'Sullivan, C and Angioletti-Uberti, S and Tangney, P},
doi = {e3sconf/20199214001},
pages = {1--6},
publisher = {EDP Sciences},
title = {An evaluation of contact models for particle-scale simulation of clay},
url = {http://dx.doi.org/10.1051/e3sconf/20199214001},
year = {2019}
}
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RIS format (EndNote, RefMan)

TY  - CPAPER
AB  - Geotechnical engineers are well aware that the particle surface chemistry and the pore fluid composition can significantly influence the mechanical behaviour of clay. Reference is often made to the Derjaguin-Landau-Vervey-Overbeek (DLVO) theory, which enables the electrochemical interactions between charged particles to be estimated. Hitherto, the absence of an effective framework for particle-scale simulation of clay has inhibited a direct link between these electrochemical interactions and clay behaviour (e.g. load:deformation response) or fabric (i.e. the development of a disperse or flocculated fabric). Ebrahimi [1] demonstrated the viability of using molecular dynamics simulations where the clay grains are simulated as ellipsoidal particles whose interactions are described by an analytical expression called the Gay-Berne (GB) potential. While promising when compared to other approaches documented in the literature, Ebrahimi's work considered only a single clay mineralogy and did not explicitly account for the pore fluid composition. This paper considers the use of the Gay-Berne potential in particle-scale modelling of clay from a more general perspective. Calibration of the GB model parameters to predict kaolinite particle interactions reveals a lack of generality in Ebrahimi's approach. The Gay-Berne potential cannot simulate situations in which attractive and repulsive interactions co-exist, which lead to the classical “cardhouse” fabric, as is the case of kaolinite particles interacting via an acidic pore fluid.
AU  - Bandera,S
AU  - O'Sullivan,C
AU  - Angioletti-Uberti,S
AU  - Tangney,P
DO  - e3sconf/20199214001
EP  - 6
PB  - EDP Sciences
PY  - 2019///
SP  - 1
TI  - An evaluation of contact models for particle-scale simulation of clay
UR  - http://dx.doi.org/10.1051/e3sconf/20199214001
UR  - https://www.e3s-conferences.org/articles/e3sconf/abs/2019/18/e3sconf_isg2019_14001/e3sconf_isg2019_14001.html
UR  - http://hdl.handle.net/10044/1/75578
ER  -
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