Hi
I am trying to make slit crack with the following command
pair_style tersoff
pair_coeff * * Si.tersoff Si
neighbor 4 bin
neigh_modify every 1 delay 0 check yes
###define slit_crack ####
region a prism 0 400 202 INF INF INF 0 0 0
group right region a
region fullstrip prism 0 400 INF INF INF INF 0 0 0
group total region fullstrip
group left subtract total right
neigh_modify exclude group right left
But when i visualize in ovito i did not see any bonds break between atoms which was defined by group command . It will be great help if i get some guidance .
thanks
in the input you provide you have disabled interactions, but without some kind of pulling the system apart why should there be a crack forming?
Thank you for your response. But this is the part of my input I have pulled apart by mode I
where exactly does the pulling happen? i don’t see it.
I cannot read minds. neither those of people nor that of computers.
Sir
Please check now.
read_restart silicon.equil
kspace_style none 0.00001
pair_style tersoff
pair_coeff * * Si.tersoff Si
variable density equal “(mass(all)*1.660538783162730) / (vol)”
print “initial density: ${density}”
neighbor 2.0 bin
neigh_modify delay 10 check yes
compute new all temp
velocity all create 1.0 5248432 temp new
setup
reset_timestep 0
timestep 0.001
thermo 100
thermo_style custom step pe lx ly lz pxx pyy pzz temp press v_density cpuremain vol
Store final cell length for strain calculations
variable tmp equal “lx”
variable L0 equal {tmp}
variable tmp equal "ly"
variable L1 equal {tmp}
print “Initial x Length, L0: {L0}"
print "Initial y Length, L1: {L1}”
that input does not have the code to induce the crack by excluding neighbors, so why should this one produce a crack? this is the third time you have failed to provide consistent and meaningful input, which is a minimum requirement to give a meaningful response. you have now strained my patience to its breaking point. don’t expect any more answers from me on this subject.
axel.