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Graphene nanobubbles

This code is developed to calculate equilibrium graphene nanobubble with given mass of trapped substance. Basically, it minimises total energy of the bubble:

energy equation

You can find detailed information about the algorithm in the article.

Usage

The usage is as simple as

python bubble.py <mass>

This calculates equilibrium bubble with given trapped mass of substance. It stores information of algorithm search in <mass>.csv file, and the information of equilibrium bubble in data.csv.

Requirements

  • python 3
  • numpy == 1.15.4
  • scipy == 1.1.0

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