Scientific Notebook

May 9, 2012

Chiral structures in 3D ED simulations

Filed under: Research — tsuresuregusa @ 6:09 pm

I was reading this paper http://arxiv.org/abs/1201.2271 and asked myself if the same can happen with continuous potentials.

I’m using Dynamo with the following potential: ./bin/dynamod -m 16 –s1 1.3,-0.5:1.2,1.2:1.1,1:1.05,2:1,10:0.99,100 -d .66  -C 5 this mean a system of discontinuous potential with energies given by the pairs –s1 r,e, in units of particle radius, 1, and the system temperature, 1.

For denstities over .65 the system remains ordered while for lower densities the systems is fluid. For a smaller system (108 particles) I determined the transition density at 0.64370. For the current system I don’t know yet, but somewhere between .64 and .66

Snapshot of two system presenting crystal structure and liquid with density nu = 0.66 and 0.64, N = 500, E = -750. Color code represents the ID of the particle.

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