notepad++ - stress and strain curve with lammps -
i want try draw stress , strain curve copper nanoparticles lammps. code. dont know true or not. can me? has fix nve relaxation. befor has fix nvt,and 2 fix cant come togather.
# tensile test echo both dimension 3 boundary s p p units metal atom_style atomic ##########create box####### region copperbox block -80 80 -40 40 -40 40 units box create_box 1 copperbox lattice fcc 3.61 region copper block -60 60 -20 20 -20 20 units box create_atoms 1 region copper mass 1 63.546 thermo_modify lost ignore region left block -60 -50 -20 20 -20 20 units box group left region left region right block 50 60 -20 20 -20 20 units box group right region right group middle subtract left right timestep 0.002 pair_style eam pair_coeff * * cu_u3.eam velocity create 300 4928459 mom yes rot yes dist uniform velocity left create 0 4928459 mom yes rot yes dist uniform velocity right create 0 4928459 mom yes rot yes dist uniform fix 1 nvt temp 300 300 0.01 fix 2 left setforce 0 0 0 fix 3 right setforce 0 0 0 fix 4 nve thermo 100 run 1000 ##################################### compute 1 middle stress/atom compute 2 middle reduce sum c_1[1] dump 1 custom 100 stress.txt mass x y z c_1[1] c_1[2] c_1[3] c_1[4] c_1[5] c_1[6] dump 2 xyz 100 dump.xyz ##################################### variable loop 2 label loopa fix 8 right move linear 0.2 0 0 units box fix 9 left move linear 0 0 0 units box run 1000 ##################################### unfix 8 unfix 9 fix 8 right move linear 0 0 0 units box fix 9 left move linear 0 0 0 units box run 40000 ##################################### fix 10 nve thermo 100 run 10000 ##################################### variable sigma equal "c_2/(40000)*(10^4)" variable l2 equal xcm(right,x) variable l0 equal ${l2} variable strain equal "(v_l2-v_l0)/(v_l0)*100" next jump in.copper99 loopa restart 1000 restart.*
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