Simulating the random networks in 2D silica
What is it about?
2D-silica is a recent addition to the family of 2D-materials and Silica allotropes. Near the glass transition, it shows an interesting and seemingly random pattern of silica rings of various sizes spread throughout the system. To study if there is any order in this apparent disordered pattern, computer simulation with a proper model system is quite useful. We have prepared such a 2D model for 2D-Silica. The model is based on a Yukawa type force-field which describes the interactions between the particles. It is simulated at various temperatures. At a certain temperature, we are able to match the ring-patterns of the model with the actual system with good accuracy. This helped us to establish the force-field as a valid representation of 2D-Silica system and opens up lots of opportunities for future work.
Why is it important?
The model system is quite successful to reproduce various topological properties of 2D-Silica on 2D surface. We can comment on the low-temperature behavior of the 2D-Silica, which is not attainable from experiments. This may help one to understand more on the physics of glassy systems, where bulk-silica is a prime study material. The properties of random ring-networks can be studied in much detail with this model system. We are currently preparing another paper about the thermodynamics of the ring systems in 2D-Silica based on this model, which may help to understand what kind of order is present in the ring network. Another direction to explore is the dynamics of 2D-Silica, especially the mechanistic aspects near glass transition. Work is currently undergoing in this area.
The following have contributed to this page: Projesh Kumar Roy
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