Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2006-10-11
Physics
Condensed Matter
Soft Condensed Matter
17 pages, 6 figures
Scientific paper
10.1063/1.2378920
We consider the clustering of Lennard-Jones particles by using an energetic connectivity criterion proposed long ago by T.L. Hill [J. Chem. Phys. 32, 617 (1955)] for the bond between pairs of particles. The criterion establishes that two particles are bonded (directly connected) if their relative kinetic energy is less than minus their relative potential energy. Thus, in general, it depends on the direction as well as on the magnitude of the velocities and positions of the particles. An integral equation for the pair connectedness function, proposed by two of the authors [Phys Rev. E 61, R6067 (2000)], is solved for this criterion and the results are compared with those obtained from molecular dynamics simulations and from a connectedness Percus-Yevick like integral equation for a velocity-averaged version of Hill's energetic criterion.
Pugnaloni Luis A.
Vericat Fernando
Zarragoicoechea Guillermo J.
No associations
LandOfFree
Cluster pair correlation function of simple fluids: energetic connectivity criteria does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Cluster pair correlation function of simple fluids: energetic connectivity criteria, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Cluster pair correlation function of simple fluids: energetic connectivity criteria will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-578690