Keywords
Simulation, Kinetic Monte Carlo
Presentation Type
Event
Research Abstract
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, the pop-up window has been set to display a plot of diffusivity versus simulation time. During the programming process, several problems were found and solved by using GTK+ main loop and functions in Matplotlib plotting library. Also, there were also design problems about the Graphic User Interface on areas such as error checking and user experience. All the problems have been successfully solved, and the program has been tested and proved to be successful.
Recommended Citation
Zaiwei Zhang and R. Edwin García,
"Python-based Simulation Tool for Kinetic Monte Carlo"
().
The Summer Undergraduate Research Fellowship (SURF) Symposium.
Paper 7.
https://docs.lib.purdue.edu/surf/2013/presentations/7
Prestentation Poster
Included in
Python-based Simulation Tool for Kinetic Monte Carlo
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, the pop-up window has been set to display a plot of diffusivity versus simulation time. During the programming process, several problems were found and solved by using GTK+ main loop and functions in Matplotlib plotting library. Also, there were also design problems about the Graphic User Interface on areas such as error checking and user experience. All the problems have been successfully solved, and the program has been tested and proved to be successful.