Images & Movies

A selection of images and movies of simulations that I have created.

Jacks rolling down a ramp

I created this purely for entertainment, but it demonstrates the power of simulations for studying granular materials (think gravel or sugar), which is important in a variety of industrial contexts. Visualization of a molecular dynamics simulation of jacks initially deposited on a flat surface which is subsequently tilted at 30 degrees, causing them to roll downward. The simulation is periodic, and the edges of the periodic box are shown in block; multiple periodic images are shown. The jacks are modeled as rigid bodies, the simulations were conducted in LAMMPS, and visualization was done with OVITO.

Brazil nut effect

An example of granular convection, also called the Brazil nut effect, which causes a large particle to rise through an agitated sea of smaller particles. The particles are first dropped into a cylindrical container and then agitated by a vibrating plate. Created for my own entertainment using molecular dynamics simulations of granular particles in LAMMPS and rendered using VMD. (I got the idea for running this simulation and creating this movie from another video.)

Nanovoid in cross-linked polymer

Images I created for a paper on nano-scale voids that form in cross-linked polymers during mechanical deformation. A large nanovoid is highlighted in the center of the system. The first image shows a zoomed-out view of the system. The boundaries of the simulation box are shown in blue. The entire box is filled with polymer, but atoms in the front half of the system are hidden to make the void visible. The second image shows a close-up of the void. These images were created using VMD and the Tachyon ray-tracer. The red lighting in the void was created using ideas from John Stone's glowlights script.

Nanoindentation of graphene / MoS2 layered structures

Nanoindentation of a multilayered graphene / MoS2 structure

Indentation of a three layered structure of MoS2, graphene, and MoS2 with an indenter (transparent sphere) from our paper in Applied Physics Letters. The structure is suspended at the edge (blue). The upper layer of MoS2 (mostly yellow) has ruptured under the stress, while the central graphene layer (gray) and the lower layer of MoS2 are intact. Rendered with VMD.