
From:  Lorenzo Isella 
Subject:  [ESPResSousers] Gluing Particles Together 
Date:  Wed, 09 Mar 2011 00:27:12 +0100 
Useragent:  Mozilla/5.0 (X11; U; Linux x86_64; enUS; rv:1.9.1.11pre) Gecko/20100623 Spicebird/0.8 
Dear All,I have a question about the choice of the particle interacting potential for my simulations.
Consider a Nx3 matrix x_1 y_1 z_1 x_2 y_2 z_2 ........ x_N y_N z_Nwhere (x_i,y_i,z_i) are the coordinates of the centre of the ith (spherical) particle within a particle aggregate. Each particle has a radius R. What is essential for me is to make this structure stiff, i.e. each of these aggregates should be a rigid body. In order to achieve this, a radial interaction potential among the particles is not enough (particles may slide while preserving their relative distances if the potential is purely radial). In the case of straight linear chains, I solved the problem by using a combination of a radial potential to fix the distances between particles on top of a 3body bond angle interaction which acted as a penalty function for any chain deformation. It is not, however, clear to me how to generalize this to aggregates of arbitrary shape.
Any suggestion is welcome. Cheers Lorenzo
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