Hello，all
I have been simulating a rigid indenter press in a polymer substrate, I use the command of “fix 3 indenter setforce 0.0 0.0 0.0” , the tempreture was controlled 100K(glassy state) and 400K(rubber state). then exract force of indenter using f_3[1], f_3[2], f_3[3]. Howere, the curve of normal force with displacement for 100K as same as 400K. the result is inconsistent with theory, I checked my in file,but I still don’t konw how to do. can you give me solution.
thanks!
VARIABLES
variable fname index data.PE_friction_10000_20_100k
variable simname index PE_friction_10000_20_100k-indent50
Initialization
units real
dimension 3
boundary p p s
atom_style molecular
log log.{simname}.txt
read_data {fname}
Dreiding Potential information
neighbor 2.0 bin
neigh_modify every 10 one 10000 exclude type 2 2
bond_style harmonic
bond_coeff 1 350 1.53
angle_style harmonic
angle_coeff 1 60 109.5
dihedral_style multi/harmonic
dihedral_coeff 1 1.73 -4.49 0.776 6.99 0.0
pair_style lj/cut 10.0
pair_coeff 1 1 0.112 4.01 10.0
pair_coeff 1 2 0.112 4.01 9.50
pair_coeff 2 2 0 0 0