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.