Keywords
simulation, nanoHUB, deposition, diffusion, wulffshape
Presentation Type
Event
Research Abstract
Kinetic Monte Carlo (kMC) is a set of scientific libraries designed to deploy kMC simulations intended to simulate the time evolution of some processes occurring in nature. kMC is currently allows the user to intuitively generate single component crystal lattices to simulate, post process, and visualize the kinetic Monte Carlo-based atomistic evolution of materials. kMC provides an interface to the Stochastic Parallel PARticle Kinetic Simulator (SPPARKS) [1] and is specifically designed to simulate individual atomic deposition (condensation) and dissolution (evaporation) events, while simultaneously tracking the surface and bulk crystallographic anisotropic diffusion. The main goal of this project is to create Graphical User Interfaces for WulffShape and Physical Vapor Deposition (PVD) examples. The Wulff shape is the shape that possesses the lowest surface energy for a fixed volume and Physical Vapor Deposition is a collective set of processes used to deposit thin layers of material. We are trying to offer the user an option to choose a material, specify the material and change environmental parameters. kMC could generate crystal lattices, simulate, and render images according to the user's setting. Moreover, there is an option for users to see three-dimensional structured atoms created by visIt. In conclusion, this application is going to simulate the time evolution of Wulff Shape and PVD.
Recommended Citation
Jingyuan Liang, R. Edwin García, Ding-Wen (Tony) Chung, and David Ely,
"Kinetic Monte Carlo Simulations"
().
The Summer Undergraduate Research Fellowship (SURF) Symposium.
Paper 56.
https://docs.lib.purdue.edu/surf/2013/presentations/56
Kinetic Monte Carlo Simulations
Kinetic Monte Carlo (kMC) is a set of scientific libraries designed to deploy kMC simulations intended to simulate the time evolution of some processes occurring in nature. kMC is currently allows the user to intuitively generate single component crystal lattices to simulate, post process, and visualize the kinetic Monte Carlo-based atomistic evolution of materials. kMC provides an interface to the Stochastic Parallel PARticle Kinetic Simulator (SPPARKS) [1] and is specifically designed to simulate individual atomic deposition (condensation) and dissolution (evaporation) events, while simultaneously tracking the surface and bulk crystallographic anisotropic diffusion. The main goal of this project is to create Graphical User Interfaces for WulffShape and Physical Vapor Deposition (PVD) examples. The Wulff shape is the shape that possesses the lowest surface energy for a fixed volume and Physical Vapor Deposition is a collective set of processes used to deposit thin layers of material. We are trying to offer the user an option to choose a material, specify the material and change environmental parameters. kMC could generate crystal lattices, simulate, and render images according to the user's setting. Moreover, there is an option for users to see three-dimensional structured atoms created by visIt. In conclusion, this application is going to simulate the time evolution of Wulff Shape and PVD.