The impact of salinity on the cohesion process of quartz substracts: A molecular dynamics study.

The moisture with salt ions adsorbed on the mineral soil surface is crucial to the cohesion process when the media is exposed to marine or coastal environments. However, the impact of salinity on the cohesion of soils is not well studied at the nanoscale. In this study, the salinity effect was investigated by studying the wettability and capillary force of NaCl solutions on quartz substrates via a molecular dynamics-based approach. Besides, a new visualization method was proposed to measure the contact angle of liquid droplets from the aspect of nanoscale. The results indicated that salt ions can weaken the wettability of the liquid on the quartz surface and inhibit the capillary force. Compared with water, the liquid with a 10% NaCl solution can achieve a capillary force reduction of around 70%, resulting in a detrimental effect on the cohesion of soils. Overall, this study enhanced the understanding of the nanoscale salinity effect on the cohesion process and provided insights into the modification of the mechanical properties of soils from the aspect of nanoscale.

Capillary bridges between unsaturated nano-mineral particles: a molecular dynamics study.

Capillary bridges play an important role in the process of cohesion, which is crucial for wet granular media, and engineering of pharmaceuticals and food processing. However, the understanding of capillary bridges at the nanoscale remains unclear because the mechanical performance of nanoscale capillary bridges cannot be fully captured and explained by classical capillary theory. We applied a novel molecular dynamic simulation to investigate the dynamic formation process of nanoscale capillary bridges between quartz asperities. In comparison with classical capillary theory, our results suggested that the application of the toroidal approximation and gorge method will break down at the scale of 1 nm. Below this threshold, a pronounced oscillation in the adhesive force was observed due to inconsistent distribution of water molecules in the capillary bridges. Moreover, we found a non-linear correlation between the adhesive force and the saturation degree. Different from the cohesive stress of sandy soil as a function of saturation degree, we identified an optimal saturation range of 0.5-0.7 instead of 0.2-0.9 for the sandy soil. Our findings enhance the understanding of capillary bridges and provide new insights into the capillary force between particles in the fields of geotechnical engineering, food-process engineering, the pharmaceutical industry and nanotechnology.

Transitions between nanomechanical and continuum mechanical contacts: new insights from liquid structure.

The use of continuum mechanics to describe contacts involving nanoscale and atomic interactions has been one of the key controversies in nanoscience, tribology, and petrophysical and geological studies. By applying a novel nonequilibrium molecular dynamics scheme to wet quartz contacts, this study revealed the key transitions between continuum electrostatic, nanomechanical and Hertzian contact behaviors at around one nm of surface separation, which results in critical contact pressure fluctuations between -30 and 100 MPa. Using a novel liquid-structure analysis scheme based on the spatial distribution of water molecules, the nanomechanical behavior was found to originate from the collapse and localization of layers of water molecules. Moreover, the role of surface curvature on this effect was also quantified and explained based on a new topological descriptor. The findings of this study enrich our understanding of wet contacts and have a wide range of applications from the nanoscale to macroscale.