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 “-pxx0.000101325" #Convert atm to GPa
variable p3 equal "-pyy0.000101325”
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
0.0624999999999995 2.9524021644685 0.0141643355276113
0.0649999999999994 2.9688006625103 0.00570227923277773
0.0674999999999994 2.92972906876173 -0.00144152881883124
0.0699999999999995 2.81620578057796 0.0243698498320831
0.0724999999999995 2.71443431212493 0.0173133805419502
0.0749999999999994 2.65736975483159 -0.0258147690834544
0.0774999999999993 2.66126456772522 -0.0372477825347085
0.0799999999999995 2.67479189566229 0.00701945689287157
0.0824999999999994 2.63093623658504 0.044740240371193
0.0849999999999994 2.54369467420382 0.0136299749230505
0.0874999999999996 2.43240255744188 -0.0234615825437126
0.0899999999999995 2.37317482687855 -0.0219282296092068
0.0924999999999994 2.35153638749581 0.0018735821064267
0.0949999999999993 2.34862823964289 0.00486025522882868
0.0974999999999995 2.31833447722262 0.00286483445753458
0.0999999999999995 2.25176611436865 0.0165190983003653
0.102499999999999 2.1780592402197 0.0125230840617033
0.104999999999999 2.1135081016127 -0.0146730183697733
0.107499999999999 2.09552802329107 -0.0321955094355024
0.109999999999999 2.09401999626198 -0.000580151391099566
0.112499999999999 2.09327223736813 0.0332040695855453
0.114999999999999 2.05452468614859 0.0239693276690712
0.117499999999999 1.99972333492932 -0.0114662272938009
0.119999999999999 1.95124370086674 -0.0223835112016595
0.122499999999999 1.92646362876165 -0.00507510308481937
0.125 1.92513966180311 0.00176880695457063
0.127499999999999 1.92006872179221 0.00292758703640844
0.129999999999999 1.9061494377047 0.0102642558933775
0.132499999999999 1.86594012470525 0.0178313196213399
0.134999999999999 1.82462109233169 -0.00278703919273405
0.137499999999999 1.78371676450744 -0.0249658269661765
0.139999999999999 1.76197914471863 -0.016914358871534
0.1425 1.74143337712305 0.0111976840688035
0.144999999999999 1.71403373914585 0.0190548296417453
0.147499999999999 1.67289154168719 0.00259364777624907
0.149999999999999 1.62980405082727 -0.00584970891903933
0.152499999999999 1.59666549444795 -0.00233069323042703
0.154999999999999 1.56711309771535 -0.00118324493993016
0.157499999999999 1.5403918657215 -0.0094984140963304
0.159999999999999 1.50315004031955 -0.00427792957775005
0.162499999999999 1.46352652952365 0.00834666253926085
0.164999999999999 1.41889975353953 0.00991551029359355
0.167499999999999 1.38845414725096 -0.00492095848355003
0.169999999999999 1.36622873253073 -0.00856184122037123
0.172499999999999 1.34990250648648 0.00250890559061424
0.174999999999999 1.318533658512 0.00639365788285581
0.177499999999999 1.2725989738096 -0.00492837192150527
0.179999999999999 1.21796569350859 -0.0108353852448157
0.182499999999999 1.17265966203667 -0.000350525212809616
0.184999999999999 1.14301932402622 0.00729529287434484
0.187499999999999 1.12377025874432 0.00423038460384341
0.189999999999999 1.10639444462761 -0.000556701854148182
0.192499999999999 1.07934057253533 0.00291386182872325
0.194999999999999 1.04417057599132 0.000402784440409148
0.1975 1.003316826428 -0.00823259693389547
0.199999999999999 0.972812025980543 -0.0107278679462662
0.202499999999999 0.949957129819062 0.00313979697014316
0.204999999999999 0.933619711607333 0.0136475554187709
0.207499999999999 0.911194792107729 0.008327319932086
0.209999999999999 0.887936939270257 -0.00361430651248464
0.212499999999999 0.863384233034259 -0.00551236294978088
0.214999999999999 0.845351735999252 -0.00260865648120264
0.217499999999999 0.828946152090398 -0.00391413093507969
0.219999999999999 0.81286237426925 -0.00320758813047343
0.222499999999999 0.791562456250725 0.00446134367160095
0.224999999999999 0.767441140897488 0.00981263376904451
0.227499999999999 0.745687794423302 0.00247975366384018
0.229999999999999 0.733296186881639 -0.00547587380584634
0.232499999999999 0.733137511589608 -0.004043504296402
0.234999999999999 0.735684832654026 0.00298860730304101
0.237499999999999 0.732640592399781 0.00167039923702293
0.239999999999999 0.717770610970542 -0.00276066787476871
0.242499999999999 0.699970743609263 -0.00249856858247271
0.244999999999999 0.683824432820835 0.0027143067117166
0.247499999999999 0.678430063887928 0.00231657932944334
0.249999999999999 0.679758893846956 -0.000446755723129135
0.252499999999999 0.68538045434242 0.000732274400725783
0.254999999999999 0.684365956957113 0.00365256893133583
0.257499999999999 0.677327946893564 -0.000534855917112213
0.259999999999999 0.665162949815611 -0.00719100212327854
0.262499999999999 0.656050281368655 -0.00520770354584606
0.264999999999999 0.650415466819861 0.00298911686925584
0.267499999999999 0.647084056518971 0.00663841427620218
0.269999999999999 0.64216602175904 0.00277527960480305
0.272499999999999 0.636254062956007 0.000300098294928897
0.274999999999999 0.631940736262983 -0.000172363033189605
0.277499999999999 0.629760752837197 -0.00157614387836817
0.279999999999999 0.630452580708188 -0.00466509750761855
0.282499999999999 0.630065452431357 -0.0019346820900807
0.284999999999999 0.626921866702642 0.00352218184470026
0.287499999999999 0.617642590171616 0.0049431838832848
0.289999999999999 0.608397343121843 -0.000349495335592417
0.292499999999999 0.60199041816204 -0.00271797906600653
0.294999999999999 0.602478743226765 -9.43366560118103e-05
0.297499999999999 0.603905080580308 0.00189318145198389
0.299999999999999 0.603708738382507 -0.000972109388014071
0.302499999999999 0.597068121983014 -0.00276451863949837
0.304999999999999 0.587683654986641 -0.000791498445367208
0.307499999999999 0.577278490476454 0.000686891412739209
0.309999999999999 0.570147353267038 -0.000117668546161015
0.312499999999999 0.565295892225384 0.000387536581672889
0.314999999999999 0.561551171096824 0.00340543078959011
0.317499999999999 0.555448042374445 0.00281987451888238
0.319999999999999 0.547067884321601 -0.00195126932149586
0.322499999999999 0.539140194343189 -0.00562056073653274
0.324999999999999 0.53310631634768 -0.00266911876179523
0.327499999999999 0.527998259420037 0.00147776718570043
0.329999999999999 0.520253984563452 0.00265198580115608
0.332499999999999 0.50998016795138 0.00105527464838622
0.334999999999999 0.497289428655069 0.00118698455044052
0.337499999999999 0.486317162318049 0.00041223011759197
0.339999999999999 0.477692677791866 -0.00193099386631539
0.342499999999999 0.472785307106169 -0.00335214513373954
0.344999999999999 0.467465756120955 -0.000469682254348944
0.347499999999999 0.460688318643169 0.00209129942647244
0.349999999999999 0.45024818158007 0.00107144837453361
0.352499999999999 0.439911156260361 -0.00106019388326748
0.354999999999999 0.431108504136189 -0.000150717369351812
0.357499999999999 0.425635055029922 0.00188016658790524
0.359999999999999 0.420348540759617 0.00127859713957843
0.362499999999999 0.414643121578884 -0.00076615381444104
0.364999999999999 0.407646403977962 -0.00140721458281783
0.367499999999999 0.400928100725141 -0.000454290853010417
0.369999999999999 0.395115716498821 -0.000815045178814169
0.372499999999999 0.39093048547475 -0.000950036902053122
0.374999999999999 0.387058835723056 0.000596860663690964
0.377499999999999 0.381438138463298 0.00290711713659545
0.379999999999999 0.373705813798147 0.00158993952609712
0.382499999999999 0.364968011634504 -0.00123453392138257
0.384999999999999 0.358015897350031 -0.00226453840946435
0.387499999999999 0.353186797086569 -0.000451620624765594
0.389999999999999 0.350166860167861 0.000192298237292214
0.392499999999999 0.346228968075678 -2.36036332541133e-05
0.394999999999999 0.341517495021191 0.000225872894028616
0.397499999999999 0.335657530850413 0.00134278046750418
0.399999999999999 0.330675510101173 0.000766446743889715
0.402499999999999 0.326446832558551 -0.000632891046484432
0.404999999999999 0.323777571598029 -0.000808276455605087
0.407499999999999 0.320161178915958 0.000413638988566843
0.409999999999999 0.315072522957512 0.000366083637653096
0.412499999999999 0.308312758770357 -0.00131749151845942
0.414999999999999 0.302701363288437 -0.00177407492063387
0.417499999999999 0.29898416911314 -0.000109519525085008
0.419999999999999 0.297351467655203 0.00155801595989262
0.422499999999999 0.29554209075046 0.00125003927729525
0.424999999999999 0.292123642419579 0.00077240785667269
0.427499999999999 0.286531413023443 0.000355421960566161
0.429999999999999 0.2802945796717 -0.000533773367017172
0.432499999999999 0.275262738985218 -0.00217321538821905
0.434999999999999 0.272392594818249 -0.00163207447150264
0.437499999999999 0.271035220002142 0.000580886674051907
0.439999999999999 0.268872479611824 0.00236040624984971
0.442499999999999 0.264957744674339 0.00137746053112066
0.444999999999999 0.259791056976152 -0.000100140913380828
0.447499999999999 0.255521659430162 -0.000785052963784881
0.449999999999999 0.25231315111089 -0.000476855675606975
0.452499999999999 0.249938317350283 -0.000750957858211723
0.454999999999999 0.24640701880005 -0.000610594896037582
0.457499999999999 0.241241973782005 7.43052950751694e-05
0.459999999999999 0.234314769543558 0.000532606276470554
0.462499999999999 0.227984055788712 -0.000256190095673674
0.464999999999999 0.223234617785579 -0.000583503011848725
0.467499999999999 0.220558126744366 0.000500689527393802
0.469999999999999 0.217916068972054 0.00141846256091965
0.472499999999999 0.214089669540153 0.00055391130848393
0.474999999999999 0.208330119405888 -0.001086397213809
0.477499999999999 0.202210397774329 -0.0014573581320542
0.479999999999999 0.196603210317171 -0.000867637429614475
0.482499999999999 0.191951821740915 -0.000112300293546223
0.484999999999999 0.187488935195607 0.000279044276299555
0.487499999999999 0.182826585704631 0.000980677726100908
0.489999999999999 0.177692510069406 0.000960890287947063
0.492499999999999 0.172805532814327 0.000135219088608994
0.494999999999999 0.16891009938492 -0.00104442229928197
0.497499999999999 0.165727474637496 -0.000681709095842004
0.499999999999999 0.162017166758628 0.00011153215622774
0.502499999999999 0.15659035898922 0.000240491385242899
0.504999999999999 0.14978336461071 -0.000685620702054539
0.507499999999999 0.142766733513437 -0.000598513862500289
0.509999999999999 0.13725643163222 0.000183703341671458
0.512499999999999 0.133416463546413 0.000947317880644366
0.514999999999999 0.130617622149343 0.000848858883375883
0.517499999999999 0.12748894069034 0.000727937673888272
0.519999999999999 0.123757584644881 0.000151808458709633
0.522499999999999 0.119376242108748 -0.000801427913258572
0.524999999999999 0.115301666964943 -0.00161283598468454
0.527499999999999 0.111598655356254 -0.00103248216919508
0.529999999999999 0.107839867743212 0.000420295711087949
0.532499999999999 0.102897562767891 0.00123512144655043
0.534999999999999 0.0971733389070398 0.000735614369221916
0.537499999999999 0.0917059996781011 -6.0373653076793e-05
0.539999999999999 0.0879250703105547 -0.00015769417528346
0.542499999999999 0.0859299920294692 -0.000124640585674447
0.544999999999999 0.0848236875120451 -0.000204518151907712
0.547499999999999 0.0828519473927656 -0.00026855841702018
0.549999999999999 0.0792041300708307 -5.48334128676959e-06
0.552499999999999 0.0742752713951771 -0.000310517561530141
0.554999999999999 0.069430105474851 -0.000611195863578852
0.557499999999999 0.0657733515754813 -0.000362578088697015
0.559999999999999 0.0633652831514013 0.000820783314471396
0.562499999999999 0.0611544018059761 0.00129895528716543
0.564999999999999 0.0581444632464542 0.000816703989280581
0.567499999999999 0.054521559203847 -0.000409406470704917
0.569999999999999 0.0510653553706658 -0.000910497504870283
0.572499999999999 0.0483246482582093 -0.000978587389602449
0.574999999999999 0.0459633420834054 -0.000535148744261991
0.577499999999999 0.0431677294497307 -8.52790340569162e-05
0.579999999999999 0.0390421852820369 0.000698235600093455
0.582499999999999 0.0338387176417021 0.000803897422707884
0.584999999999999 0.0286846670452152 0.000329624993587445
0.587499999999999 0.0248633981318618 -0.00022883105712262
0.589999999999999 0.022568676605345 6.43989410993969e-05
0.592499999999999 0.0210360461164611 0.000336986271550546
0.594999999999999 0.0189823197623026 6.39556667337236e-05
0.597499999999999 0.0159569165224629 -0.000582311006746077
0.599999999999999 0.0125398185664834 -0.000741809489415423
0.602499999999999 0.00964040973133876 -0.000388592447173136
0.604999999999999 0.00745967636657323 0.00018314638116235
0.607499999999999 0.00550425106405763 0.000735498186257013
0.609999999999999 0.00297675984294717 0.00101560332479364
0.612499999999999 -0.00053646246710883 0.000767237008561172
0.614999999999999 -0.00443213176116884 -0.000234531625967743
0.617499999999999 -0.00760108744551818 -0.00109674788112291
0.619999999999999 -0.00952184910745242 -0.001115375931857
0.622499999999999 -0.0108858798244856 -0.000209291214535355
0.624999999999999 -0.0128485294298221 0.000316152135394933
0.627499999999999 -0.0162569455784172 0.000389247733799049
0.629999999999999 -0.0207620120787038 0.00014306018457967
0.632499999999999 -0.0252553643478285 0.000209478106497679
0.634999999999999 -0.0287582824348686 0.000102591033922025