Molecular dynamics simulation of interfaces in water-silica systems

Silica and water are abundant materials in the cosmic environment, particularly in the disks surrounding newborn stars. Collisions between these particles play a crucial role in the early stages of rocky planet formation. However, the detailed mechanisms at the atomic scale remain largely unexplored. By analyzing the chemical and mechanical interactions at the silica-water interface, we aim to identify key factors that influence the growth mechanisms in protoplanetary disks and their implications for planet formation.

This project employs molecular dynamics simulations to investigate the collision of two water or silica aggregates, each consisting of millions of atomic particles, simulating interactions at the nanoscale. To validate the accuracy of the model, the macroscopic contact model, such as the JKR (Johnson-Kendall-Roberts) model, is also utilized, bridging the gap between atomistic simulations and macroscopic behavior. The insights from this research can also further inform larger-scale simulation methods.

Veröffentlichungen

• R. Alfaridzi, M. L. Nietiadi, H. M. Urbassek and Y. Rosandi: The effect of enclosed water–ice pockets on porous silica cluster collisions, Icarus (2023) [doi]

• R. Alfaridzi, B. Nugroho, and Y. Rosandi: Protonation Process of Porous Silica Cluster Surface using Molecular Dynamics Method,  POSITRON  (2023)  [doi]

• R. Alfaridzi, H. M. Urbassek, and Y. Rosandi: The effect of collisions on the chemomechanics of ice-covered silica slabs: a molecular dynamics study, Phys. Chem. Chem. Phys. (2023) [doi]

   

   

   

   

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