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[lammps-users] Strain while deformation


From: George Ray <uraykol12@...24...>
Date: Tue, 8 Aug 2017 10:48:57 -0400

Hello,

I am trying to deform a sheet along x-direction using lammps 14May,2016. Part of my input script after equilibration looks like this

Input

#LENGTH IN X DIRECTION

variable tmp equal "lx"
variable L0 equal ${tmp}
print "Initial Length, L0: ${L0}"


fix        6 all npt temp 300 300 50 y 0 0 1000 z 0 0 1000 drag 2
fix        7 all deform 1 x erate 2e-4 units box remap x

variable  strain equal "(lx - v_L0)/v_L0"
variable  p1 equal "v_strain"
variable  p2 equal "-pxx*0.000101325" #Convert atm to GPa
variable  p3 equal "-pyy*0.000101325"

fix def1 all print 50 "${p1} ${p2} ${p3}" file def1.txt screen no

# Display thermo

thermo 500
thermo_style custom step v_strain temp v_p2 v_p3 ke pe press
run 100000




But in the def1.txt file I am creating, I am seeing that the strain value is always increasing. But when I am visualizing the trajectory, I am seeing that the sheet is being stretched and retracts to some extent after fracture. So why is this coming back of the sheet not being captured in the strain? How do I define the final strain then? What am I doing wrong here? Can anyone please help me out? Thank you so much


Part of the def1.txt file looks like this



def1.txt

0.00249999999999941 0.33117975652228 0.103235832322348
0.0049999999999996 0.661004055447854 0.0501864921791496
0.00749999999999952 0.946291265908601 0.0136056720057837
0.00999999999999945 1.23717405281838 -0.00519459931547844
0.0124999999999994 1.61703103145366 -0.0737907729148647
0.0149999999999996 2.01192136837791 -0.0925075062771483
0.0174999999999995 2.37437538004598 -0.0188710960498789
0.0199999999999994 2.5449805981502 0.0785525263322914
0.0224999999999994 2.59079112981037 0.0480624614617474
0.0249999999999995 2.5682286931504 -0.0324904038403894
0.0274999999999995 2.66796448298479 -0.0534176335557706
0.0299999999999994 2.85715899119573 0.000944360659564186
0.0324999999999996 3.08056750123376 0.0121150534584395
0.0349999999999995 3.19761692751395 -0.0209618256443365
0.0374999999999994 3.17260619694839 -0.0122419082597348
0.0399999999999994 3.07911144354894 0.0235168164260578
0.0424999999999996 3.00597853214123 0.0158332852617968
0.0449999999999995 3.05488587600623 -0.0386407727398961
0.0474999999999994 3.14664978168986 -0.02920518290554
0.0499999999999993 3.22514585865879 0.0211620539646192
0.0524999999999995 3.17412806170664 0.0367543126348302
0.0549999999999995 3.0500208894147 -0.0082857712240626
0.0574999999999994 2.93535553325097 -0.0315848874253508
0.0599999999999996 2.90653607259869 -0.00228054970571167
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0.0649999999999994 2.9688006625103 0.00570227923277773
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0.0699999999999995 2.81620578057796 0.0243698498320831
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