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Python-Based Simulation Tool For Kinetic Monte Carlo, Zaiwei Zhang, R. Edwin García
Python-Based Simulation Tool For Kinetic Monte Carlo, Zaiwei Zhang, R. Edwin García
The Summer Undergraduate Research Fellowship (SURF) Symposium
Simulation tools are highly needed for testing or designing nanotechnology in university research projects.The problem in the current simulation tool used in our research, which is conducted by Prof.Garcia in MSE department at Purdue, is that users cannot observe the changing numbers of diffusivities during Vacancy Diffusion simulations between different materials. Also, there is no Graphic User Interface for the simulation tools.To solve the problem, the Virtual Kinetics of Materials Laboratory program is used to create the Graphic User Interface. Also, GTK+ toolkit has been used to create a pop-up window displaying updated diffusivities during the simulation. For user purpose, …