# Ni Argon Heat Exchange #---------------------INITIALIZE--------------------------------# units metal dimension 3 boundary p p p atom_style atomic #--------------------ATOM DEFINITION----------------------------# read_data data.NiAr mass 1 58.6934 mass 2 39.948 #------------------FORCE FIELD-------------------------------------# pair_style hybrid eam lj/cut 7.5 pair_coeff 1 1 eam Ni_u3.eam pair_coeff 2 2 lj/cut 0.01033 3.405 pair_coeff 1 2 lj/cut 0.08257 2.822 neighbor 0.3 bin neigh_modify delay 5 #-----------------REGION----------------------------------------------# region lower block INF INF INF INF INF 8.8 region upper block INF INF INF INF 21.12 INF group lower region lower group upper region upper group boundary union lower upper group mobile subtract all boundary group lower region lower group upper region upper #------------Assigning Velocity for Argon Atom------------------------------# variable seed1 equal 60 variable sigma equal 2.498896133 variable vx equal normal(0,${sigma},${seed1}) variable vy equal normal(0,${sigma},${seed1}) variable vz equal normal(0,${sigma},${seed1}) velocity mobile set v_vx v_vy v_vz #--------------SETTINGS---------------------------------------------# timestep 0.001 fix 1 all nve #------------------Requesting image file-------------------------------------# dump myDump1 all image 100 image.*.jpg type type dump myDump2 mobile custom 100 Ar_Velocity_Position.dat id vx vy vz x y z thermo 100 run 100000