Hi,<br>I have a doubt regarding binning technique to generate density profile and streaming velocity. I followed Allen and Tildesley and use the following formulae to calculate density and velocity profiles. (Consider monoatomic species)<br>
<br>1) No. density of atoms in a bin 'i' = Total no. of atoms in bin 'i' over all time/(bin volume*total time steps)<br>2) velocity in bin 'i' = sum over time steps((Total sum of velocities in bin 'i'/total no. of atoms in bin 'i'))/total time steps<br>
<br>The thing that I am observing is that upon plotting, the profile changes with the no. of bins(e.g. no. density at x=a is different for #bins=m and #bins=n). Which is valid, but is there any mathematical way of arriving at the optimum no. of bins by some "bin convergence test" analogous to "grid convergence test" used in CFD. That is. no. density at x=a doesn't vary much with the #bins.<br>
<br>If you have faced the same problem, how do you resolve it?<br><br>Thanks and regards,<br><br clear="all">Manik Mayur<br>Graduate student<br>Microfluidics Lab<br>Dept. of Mechanical Engg.<br>IIT Kharagpur<br>INDIA<br>