how to calculate the no. of neighbors

Submitted by prasantud on Wed, 08/17/2011 - 08:45

Hi everybody,
I am getting too much neighbors for my following file.
I am using the fcc lattice, so it will have have co-ordination no 12.
But the output is giving me co-ordination no as 655.
It creates 655 atoms

###### code starts here ###############
units si
boundary s s s
atom_style granular diameter 0.001 density 9000
atom_modify map array sort 0 0.0
newton off
communicate single vel yes

lattice fcc 0.002
region reg block 0 1.6e-2 0 1.0e-2 0 0.006 units box
create_box 1 reg

create_atoms 1 box units box

pair_style gran/hooke/history 1 0
pair_coeff * *

fix pts1 all particletemplate/sphere 1 atom_type 1 density constant 9000 radius constant 0.001

# Material properties required for new pair styles
fix m1 all property/global youngsModulus peratomtype 2.e+5
fix m2 all property/global poissonsRatio peratomtype 0.20
fix m3 all property/global coefficientRestitution peratomtypepair 1 0.1
fix m4 all property/global coefficientFriction peratomtypepair 1 0.4
fix m6 all property/global characteristicVelocity scalar 2.
fix m7 all property/global cohesionEnergyDensity peratomtypepair 1 1.9e+4

timestep 0.000000000001

run 3

############### output###############

Created orthogonal box = (0 0 0) to (0.016 0.01 0.006)
Created 655 atoms

Total # of neighbors = 356712
Ave neighs/atom = 544.598
Neighbor list builds = 0

Step Temp E_pair E_mol TotEng Press Volume
0 0 0 0 0 3.4842622e+12 1.024488e-06
654

ckloss_ | Wed, 08/17/2011 - 18:25

you do not set the diameter for the particles you insert, so each particle will touch each other as they will be inserted with default diameter of 1 m, you must use the set command

Christoph

prasantud | Thu, 08/18/2011 - 08:32

thanks Christoph,
set command works excellent. I dont know why the diameter keyword doesnot work in atom_style and radius in particletemplate/sphere.
Samantaray

ckloss_ | Thu, 08/18/2011 - 12:34

Good to hear. I recommend going back to the basic tutorials if the usage of set vs. particletemplate/sphere is unclear

Best, Christoph