标题： 纳米级伊利石粘土摩擦的分子动力学模拟：溶剂盐离子和双电层的影响 显示英文标题

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

摘要： 快速泥是一种高度敏感的土壤，由于长期的盐分淋滤，其抗剪强度大幅降低，因此在轻微应力下会迅速从固态转变为液态。 稳定这种土壤既昂贵又高碳排放，对挪威等地区的建筑排放有显著影响。 由于对弱化机制和不同盐分的具体作用理解有限，开发更环保的稳定方法具有挑战性。 在本研究中，我们使用分子动力学（MD）模拟来研究伊利石片状颗粒（挪威快速泥的关键成分）的滑动行为，以及周围溶液中的不同离子如何影响其表面相互作用。 我们考察了单价盐（NaCl、KCl、CsCl）和二价盐（MgCl2和CaCl2）对片状颗粒-表面相互作用的影响，重点研究二价盐带来的摩擦增强效应，以及电双层（EDL）结构如何调节摩擦行为。 我们发现，二价阳离子位于表面之上，导致摩擦增加，而单价阳离子则更靠近表面。 通过详细分析这些相互作用，该研究提供了一个新的框架，用于理解盐分在黏土力学中的作用，并突出了设计环境友好型稳定剂的机会，作为传统石灰和水泥的替代品。 显示英文摘要

摘要： Quick clay is a highly sensitive soil that transforms rapidly from solid to liquid under minor stress, as a result of long-term salt leaching that drastically reduces shear strength. Stabilizing it is both costly and carbon-intensive, significantly impacting construction emissions in regions like Norway. Developing greener stabilization methods is challenging due to limited understanding of the weakening mechanisms and the specific roles of different salts. In this study, we use molecular dynamics (MD) simulations to investigate the sliding behavior of illite platelets, the key component in Norwegian quick clay, and how it is affected by the different ions in the solution surrounding the surface. We examine the impact of monovalent (NaCl, KCl, CsCl) and divalent (MgCl2 and CaCl2) salts on platelet-surface interactions, focusing on the friction enhancement brought by divalent salts and how the electric double layer (EDL) structure mediates frictional behavior. We find that divalent cations sit higher on top of the surface, and lead to an increase in friction, while monovalent cations sit closer to the surface. By providing a detailed analysis of these interactions, the study offers a novel framework for understanding the role of salts in clay mechanics and highlights opportunities to design environmentally friendly stabilizers as alternatives to traditional lime and cement.