I became interested in replicating the results in this paper:
Y. Liu, J. Sauer, and R. Dutton, “Effect of electro-diffusion current flow on electrostatic screening in aqueous pores,” Journal of Applied Physics, Vol. 103, p.084701, 2008
which Dr. Liu provides on his website here:
The two plots in this post reflect the effect of a charged macro molecule (e.g. DNA) under biased and unbiased conditions in the structure. The structure has contacts at the top and bottom. The plots for a bias of 0 and 7 volts are included in this post. The plots show the potential difference when the charged macro molecule is present and not present in the aqueous pore to the center left of the picture. More information about the significance of the result may be found in Dr. Liu’s paper.
In order to replicate Dr. Liu’s results, the cylindrical coordinate system was implemented in DEVSIM. The device is cylindrical and the structure is wrapped around the left vertical axis. The PDE’s for the potential and flux densities were implemented in a fashion similar to the standard drift diffusion formalism for TCAD simulation.