I am considering a mixture system, (ie; methane and hydrogen mixture) . I put randomly molecules in simulation box and simulate it from high temperature to low temperature. I need to verify whether my methane molecules achieve slush state at low temperature (ie; 50% of methane is solid state and 50 % methane in liquid state) . Hydrogen molecules are also there. Is it possible to identify the slush state in Ovito?
OVITO does not provide a built-in function specifically designed to identify crystalline or liquid-like structures in methane or to detect the slush state you described. However, if you have a clear definition for what constitutes the solid-state regions, you probably can implement a custom solution using OVITO’s Python scripting interface without a lot of effort.
https://www.ovito.org/docs/current/reference/pipelines/modifiers/python_script.html
What structural properties or order parameters would you like to calculate, to differentiate between the solid and liquid states?
Thank you, Madam.
Right now, I just started working on this topic. I need a detailed understanding on what all structured properties to calculate, to identify the slush state.
Anyhow let me go through it.
Once again thank you for your valuable comments.