Molecular Dynamics Simulations of Nanoscale Friction on Illite Clay: Effects of Solvent Salt Ions and Electric Double Layer

This file is associated with the article "Molecular Dynamics Simulations of Nanoscale Friction on Illite Clay: Effects of Solvent Salt Ions and Electric Double Layer." It provides the coordinate and topology files used in the molecular dynamics simulations for two systems described in the study. System I: A model simulating the sliding of an illite particle against an infinite illite surface. System II: A model consisting of an infinite illite surface for studying surrounding electric double layers. Both systems correspond directly to those analyzed in the article.

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2025-08-28
DOI
https://doi.org/10.5281/zenodo.16983724
Primary Topic
Geochemistry and Geologic Mapping
Type
article
Field-Weighted Citation Impact
0.00
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article

Molecular Dynamics Simulations of Nanoscale Friction on Illite Clay: Effects of Solvent Salt Ions and Electric Double Layer

Zenodo (CERN European Organization for Nuclear Research)
Geochemistry and Geologic Mapping
article

Molecular Dynamics Simulations of Nanoscale Friction on Illite Clay: Effects of Solvent Salt Ions and Electric Double Layer

article en

Abstract

This file is associated with the article "Molecular Dynamics Simulations of Nanoscale Friction on Illite Clay: Effects of Solvent Salt Ions and Electric Double Layer." It provides the coordinate and topology files used in the molecular dynamics simulations for two systems described in the study. System I: A model simulating the sliding of an illite particle against an infinite illite surface. System II: A model consisting of an infinite illite surface for studying surrounding electric double layers. Both systems correspond directly to those analyzed in the article.

Zenodo (CERN European Organization for Nuclear Research)
Norwegian University of Science and Technology (NO)
Openalex Percentile: Top 59%
Geochemistry and Geologic Mapping
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