Dear all,

To apply cyclic deformation on amorphous solid, I use fix deform with not/sllod as follows (bold)

units lj

atom_style atomic

dimension 2

boundary p p p

read_restart Stress.restart.1000000

variable DT equal 0.005

timestep ${DT}

pair_style lj/cut 3.5

pair_coeff 1 1 1.0 1.0 3.0

pair_coeff 1 2 1.0 1.2 3.6

pair_coeff 2 2 1.0 1.4 4.2

pair_modify shift yes

neighbor 0.3 bin

neigh_modify delay 0 every 1 check yes

reset_timestep 0

**variable A equal 1.0**

**variable Tp equal 50.0**

**variable displace equal “v_A * sin(2 PI * stepdt/v_Tp)”**

**variable rate equal "2**

*PI*v_A/v_Tp * cos(2*PI * step*dt/v_Tp)”**fix 2 all deform 1 xy variable v_displace v_rate remap v**

**fix 1 all nvt/sllod temp 0.01 0.01 0.1 tchain 3**

**compute myTemp all temp/deform**

**fix_modify 1 temp myTemp**

fix pull all spring tether 1.0 50.0 50.0 NULL 0.0

run 10000 // For 1 cycle when Tp=50.0

clear

My question is that when I use A=7.0 instead of A=1.0, temperature of the system at 0.01 is not correctly maintained in the system. Here I have attached the figure. How can I overcome the problem. Any suggestion is appreciated.

With best regards,

Pritam

T_Step.pdf (12 KB)