Hello Steve, Alex and all,
I have been using LAMMPS simulation for simulating adsorption of colloidal particles to “sites”. My particles are
‘SPHERE’ type with uniform particle size. the “sites” are also ‘SPHERE’ type particles with a very high (1e12)
density so that they do not move. I use a Yukawa-Colloid style potential for particle-particle and LJ- for site-Particle.
I initially let the particles spread out inside a reservoir-box, and then remove a wall that allows diffusion of particles to the
region where the “sites” are located. I have attached the input file for the system in this mail.
Here is what happens once i open the gates - Some of the particles stick to the sites and are strongly bound there,
but once about 10-15 particles (out of 225) get stuck to the sites, all the other particles in the reservoir-box slow down
drastically (almost like frozen) - while the atoms on the sites keep moving as before though within the influence of the
sites. I do not believe this is realistic and suspect that it is an artifact because of the site atoms. I saw someone
describing a similar situation in this post - http://lammps.sandia.gov/threads/msg04291.html - where Steve had
mentioned about part of the atoms freezing and some flying about at high velocity. Is there a possible explanation
What I think is happening is that, since I am rescaling to a constant temperature, the particles stuck to the sites
acquire a high velocity/vibration and start eating up all the kinetic energy. Please give me your opinion/views.
Thanks and regards,
in.wall3D_42_forsteve (1.69 KB)