Hello! If you are here, then you are reviewing my application for the Truman Fellowship at Sandia National Laboratories. Thank you for taking the time to come to my website.


The animated image on this page is illustrating the Generalized Kraynik-Reinelt (GKR) boundary conditions I describe in my proposal. The red cube represents the simulation cell for nonequilibrium molecular dynamics simulation of uniaxial extensional flow. The black points are the lattice of points created by the current simulation cell. The extensional flow field deforms the simulation cell and lattice, stretching along the vertical axis and shrinking along both the horizontal and out of plane directions. The GKR algorithm repeatedly remaps the simulation cell to equivalent cells within the lattice to ensure the cell never shrinks too much in any direction.

You can see that the remapping of the simulation cell appears erratic and random. It isn't truly random, but the remapping procedure does not repeat itself in time so its hard to identify a pattern. This is why it took so long for the GKR method to be developed. 

Thankyou for stopping by and I hope to we have the opportunity to meet in the coming months. 


Animation credit: David Nicholson (MIT)