Molecular Dynamics in iPhone
Argon Fluid in 5nm Channel
In last two decades, the revolutionary advance of high-performance computing resources lead the Molecular Dynamics (MD) studies of atomistic level modeling in personal desktop computers. Now I am expanding MD platforms to the available powerful mobile computing devices (iPhone), and this may be the first attempt in the MD history.
Fluid ﬂows in micron and nano - scale domains are frequently encountered in the components of micro electromechanical systems, microﬂuidic devices, and in computer hard drives. For example, for the hard-drive systems, distance between the head and media is on the order of tens of nanometers. Fluid ﬂow in such small scales cannot be described using the continuum hypothesis. Molecular dynamics potentially can address those issues such as solid - fluid interfaces / interactions arising in the nano - scale regime. Furthermore, large scale simulations based on atomistic models may also address the transition from atomistic to continuum scale approaches
This is a molecular dynamics (MD) code (i2DMD) running on iPhone. This code has most features (but simplified for visualization & educational purpose) of actual MD code used for my publications in SCI journals listed in the information link. You can simulate Couette flow, Poiseuille flow, diffusion and Freezing of Argon in 5nm channel with periodic boundary conditions. I hope this sample code would help people to understand the nano-scale molecular phenomena.