Chapter
Mar 17, 2022

Soil–Water Retention Surface of Unsaturated Clay Incorporating Capillary Interface Area through Molecular Dynamics

Publication: Geo-Congress 2022

ABSTRACT

It has been recognized the capillary interface area has a profound impact on the capillary pressure and water retention capacity of unsaturated clay. This paper deals with the soil–water retention characteristics of unsaturated clay through full-scale molecular dynamics (MD) modeling. We run a series of MD simulations of unsaturated clay under drying and wetting conditions. The capillary interfacial area is measured through a numerical algorithm based on a point cloud technique. Based on the numerical results, we propose a relationship among pore water pressure, water–air interfacial area, and mass water content. The contribution of adsorption to pore water pressure is also quantified at the microscale based on density distribution.

Get full access to this article

View all available purchase options and get full access to this chapter.

REFERENCES

Brooks, B. R., R. E. Bruccoleri, B. D. Olafson, D. J. States, S. A. Swaminathan, and M. Karplus. (1983). “CHARMM: a program for macromolecular energy, minimization, and dynamics calculations”. Journal of Computational Chemistry, 4(2), 187–217.
Edelsbrunner, H., and E. P. Mücke. (1994). “Three-dimensional alpha shapes.” ACM Transactions on Graphics (TOG), 13(1), 43–72.
Fredlund, D. G., and H. Rahardjo. (1993). Soil mechanics for unsaturated soils. John Wiley & Sons.
Hassanizadeh, S. M., and W. G. Gray. (1990). “Mechanics and thermodynamics of multiphase flow in porous media including interphase boundaries.” Advances in Water Resources, 13(4), 169–186.
Jorgensen, W. L., J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein. (1983). “Comparison of simple potential functions for simulating liquid water”. The Journal of Chemical Physics, 79(2), 926–935.
Likos, W. J., X. Song, M. Xiao, A. Cerato, and N. Lu. (2019). “Fundamental challenges in unsaturated soil mechanics.” In Geotechnical fundamentals for addressing new world challenges, N. Lu and J. K. Mitchell, eds. Springer: 209–236.
Lu, N., and W. J. Likos. (2006). “Suction stress characteristic curve for unsaturated soil.” Journal of Geotechnical and Geoenvironmental Engineering, 132(2), 131–142.
Lu, N., and C. Zhang. (2019). “Soil sorptive potential: Concept, theory, and verification.” Journal of Geotechnical and Geoenvironmental Engineering, 145(4), 04019006.
Rakotosaona, M. J., V. La Barbera, P. Guerrero, N. J. Mitra, and M. Ovsjanikov. (2020, February). “Pointcleannet: Learning to denoise and remove outliers from dense point clouds.” Computer Graphics Forum, 39(1), 185–203.
Song, X., and M. C. Wang. (2019). “Molecular dynamics modeling of a partially saturated clay-water system at finite temperature.” International Journal for Numerical and Analytical Methods in Geomechanics, 43(13), 2129–2146.
Song, X., M. C. Wang, and K. Zhang. (2018). “Molecular dynamics modeling of unsaturated clay-water systems at elevated temperature.” In Proceedings of the 7th International Conference of Unsaturated Soils. Hong Kong: 1–5.
Song, X., and Z. Zhang. (2021). “Determination of clay-water contact angle via molecular dynamics and deep-learning enhanced methods.” Acta Geotechnica, 1–15.

Information & Authors

Information

Published In

Go to Geo-Congress 2022
Geo-Congress 2022
Pages: 325 - 333

History

Published online: Mar 17, 2022

Permissions

Request permissions for this article.

Authors

Affiliations

Zhe Zhang
1Ph.D. Student, Engineering School of Sustainable Infrastructure and Environment, Univ. of Florida
Xiaoyu Song, Ph.D. [email protected]
2Associated Professor, Engineering School of Sustainable Infrastructure and Environment, Univ. of Florida. Email: [email protected]

Metrics & Citations

Metrics

Citations

Download citation

If you have the appropriate software installed, you can download article citation data to the citation manager of your choice. Simply select your manager software from the list below and click Download.

View Options

Get Access

Access content

Please select your options to get access

Log in/Register Log in via your institution (Shibboleth)
ASCE Members: Please log in to see member pricing

Purchase

Save for later Information on ASCE Library Cards
ASCE Library Cards let you download journal articles, proceedings papers, and available book chapters across the entire ASCE Library platform. ASCE Library Cards remain active for 24 months or until all downloads are used. Note: This content will be debited as one download at time of checkout.

Terms of Use: ASCE Library Cards are for individual, personal use only. Reselling, republishing, or forwarding the materials to libraries or reading rooms is prohibited.
ASCE Library Card (5 downloads)
$105.00
Add to cart
ASCE Library Card (20 downloads)
$280.00
Add to cart
Buy Single Paper
$35.00
Add to cart
Buy E-book
$110.00
Add to cart

Get Access

Access content

Please select your options to get access

Log in/Register Log in via your institution (Shibboleth)
ASCE Members: Please log in to see member pricing

Purchase

Save for later Information on ASCE Library Cards
ASCE Library Cards let you download journal articles, proceedings papers, and available book chapters across the entire ASCE Library platform. ASCE Library Cards remain active for 24 months or until all downloads are used. Note: This content will be debited as one download at time of checkout.

Terms of Use: ASCE Library Cards are for individual, personal use only. Reselling, republishing, or forwarding the materials to libraries or reading rooms is prohibited.
ASCE Library Card (5 downloads)
$105.00
Add to cart
ASCE Library Card (20 downloads)
$280.00
Add to cart
Buy Single Paper
$35.00
Add to cart
Buy E-book
$110.00
Add to cart

Media

Figures

Other

Tables

Share

Share

Copy the content Link

Share with email

Email a colleague

Share