666de878ad
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10558 f3b2605a-c512-4ea7-a41b-209d697bcdaa
1316 lines
66 KiB
Plaintext
1316 lines
66 KiB
Plaintext
material CNT0 metal
|
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stress linear
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modulus 0.00025
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possions_ratio 0.25
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end
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electric_field linear
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permittivity 1.0
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end
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electron_density interpolation
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number_of_points 3
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0 0 -1.e-4
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1.e0 -1.e-4 -1.e-4
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2.e0 -2.e-4 -1.e-4
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end
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mass_density
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body_force
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end
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##################################
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material CNT1 metal
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stress linear
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modulus 0.00025
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possions_ratio 0.25
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end
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electric_field linear
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permittivity 1.0
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end
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electron_density linear
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coefficient -1.e-4
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end
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mass_density
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body_force
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end
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##################################
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material CNT2 metal
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stress linear
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modulus 0.00025
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possions_ratio 0.25
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end
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electric_field linear
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permittivity 1.0
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end
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electron_density exponential
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intrinsic_concentration -1.e-4
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intrinsic_energy 0.2
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reference_temperature 300
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end
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mass_density
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body_force
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end
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##################################
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material CNT-quadratic metal
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stress linear
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modulus 0.00025
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possions_ratio 0.25
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end
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electric_field linear
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permittivity 1.0
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end
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electron_density interpolation
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number_of_points 3
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0 0 0
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1 -1 -2
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2 -4 -4
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end
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mass_density
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body_force
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end
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##################################
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material CNT-exp metal
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stress linear
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modulus 0.00025
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possions_ratio 0.25
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end
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electric_field linear
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permittivity 1.0
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end
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electron_density interpolation
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scale 1.
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number_of_points 101
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0. 4.36668307825e-08 1.68910652168e-06
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0.030038331567317274 1.39563824966e-07 5.39856368588e-06
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0.06007666313463455 4.46060794658e-07 1.72543824184e-05
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0.09011499470195182 1.42565763428e-06 5.51468371893e-05
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0.1201533262692691 4.55655308539e-06 0.000176255143663
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|
0.15019165783658636 1.45632271878e-05 0.000563330142782
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|
0.18022998940390364 4.65456194953e-05 0.00180046291513
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0.21026832097122092 0.00014876473918 0.00575447053613
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|
0.2403066525385382 0.000475467892858 0.0183918984795
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0.27034498410585545 0.00151964584071 0.0587824592301
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|
0.3003833156731727 0.00485694936687 0.187874977507
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0.33042164724049 0.0155233255805 0.600468364804
|
|
0.3604599788078073 0.049614195841 1.9191606137
|
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0.39049831037512456 0.158572234808 6.13384097659
|
|
0.42053664194244184 0.506813689626 19.6044066648
|
|
0.4505749735097591 1.6198303335 62.6577640578
|
|
0.4806133050770764 5.17714963709 200.260862971
|
|
0.5106516366443936 16.5467196227 640.054969098
|
|
0.5406899682117109 52.8850717993 2045.68360183
|
|
0.5707282997790282 169.026301466 6538.22187286
|
|
0.6007666313463454 540.225996016 20896.8509209
|
|
0.6308049629136627 1726.61961033 66788.5530504
|
|
0.66084329448098 5518.45949797 213463.302937
|
|
0.6908816260482973 17637.5821568 682251.368232
|
|
0.7209199576156146 56371.5842171 2180547.77121
|
|
0.7509582891829318 180169.565131 6969262.06955
|
|
0.7809966207502491 575841.049177 22274501.1301
|
|
0.8110349523175664 1840449.09958 71191669.3109
|
|
0.8410732838848837 5882270.62486 227536129.751
|
|
0.871111615452201 18800361.1248 727229616.091
|
|
0.9011499470195182 60087949.1893 2324303024.31
|
|
0.9311882785868355 192047461.951 7428719113.32
|
|
0.9612266101541528 613804067.858 23742974598.2
|
|
0.9912649417214701 1961782935.8 75885066344.4
|
|
1.0213032732887872 6270066440.97 242536724718.0
|
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1.0513416048561046 20039797704.8 775173109422.0
|
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1.0813799364234218 64049320023.9 2.47753551661e+12
|
|
1.1114182679907392 204708423506.0 7.91846641924e+12
|
|
1.1414565995580563 654269844529.0 2.53082589583e+13
|
|
1.1714949311253737 2.09111585214e+12 8.08878812624e+13
|
|
1.201533262692691 6.683428166e+12 2.58526252079e+14
|
|
1.2315715942600083 2.13609456426e+13 8.26277335624e+14
|
|
1.2616099258273255 6.82718490291e+13 2.64087004657e+15
|
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1.2916482573946428 2.18204074288e+14 8.44050090954e+15
|
|
1.32168658896196 6.97403376544e+14 2.69767365859e+16
|
|
1.3517249205292774 2.22897519766e+15 8.62205128138e+16
|
|
1.3817632520965946 7.12404126345e+15 2.75569908398e+17
|
|
1.411801583663912 2.27691918585e+16 8.80750669841e+17
|
|
1.4418399152312291 7.27727533738e+16 2.81497260326e+18
|
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1.4718782467985465 2.32589442195e+17 8.99695115594e+18
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1.5019165783658637 7.43380538904e+17 2.87552106221e+19
|
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1.531954909933181 2.37592308751e+18 9.19047045595e+19
|
|
1.5619932415004982 7.59370231306e+18 2.93737188406e+20
|
|
1.5920315730678156 2.4270278412e+19 9.388152246e+20
|
|
1.6220699046351328 7.75703852892e+19 3.0005530819e+21
|
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1.6521082362024502 2.47923182906e+20 9.59008605886e+21
|
|
1.6821465677697673 7.92388801385e+20 3.06509327135e+22
|
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1.7121848993370847 2.532558695e+21 9.79636335314e+22
|
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1.742223230904402 8.09432633626e+21 3.13102168355e+23
|
|
1.7722615624717193 2.58703259148e+22 1.00070775546e+24
|
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1.8022998940390365 8.26843069001e+22 3.19836817838e+24
|
|
1.8323382256063538 2.64267819048e+23 1.02223240987e+25
|
|
1.862376557173671 8.44627992934e+23 3.26716325799e+25
|
|
1.8924148887409884 2.69952069464e+24 1.04422004735e+26
|
|
1.9224532203083056 8.6279546046e+24 3.33743808063e+26
|
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1.9524915518756227 2.75758584873e+25 1.0666806264e+27
|
|
1.9825298834429401 8.81353699876e+25 3.40922447471e+27
|
|
2.0125682150102575 2.81689995125e+26 1.08962431972e+28
|
|
2.0426065465775745 9.00311116462e+26 3.48255495328e+28
|
|
2.072644878144892 2.87748986636e+27 1.11306151883e+29
|
|
2.1026832097122092 9.19676296292e+27 3.55746272871e+29
|
|
2.1327215412795266 2.93938303606e+28 1.13700283876e+30
|
|
2.1627598728468436 9.3945801012e+28 3.63398172778e+30
|
|
2.192798204414161 3.00260749263e+29 1.16145912285e+31
|
|
2.2228365359814783 9.59665217358e+29 3.71214660697e+31
|
|
2.2528748675487957 3.06719187129e+30 1.1864414477e+32
|
|
2.2829131991161127 9.80307070124e+30 3.79199276824e+32
|
|
2.31295153068343 3.13316542318e+31 1.21196112815e+33
|
|
2.3429898622507475 1.0013929174e+32 3.87355637501e+33
|
|
2.373028193818065 3.20055802863e+32 1.2380297224e+34
|
|
2.403066525385382 1.02293230925e+33 3.95687436855e+34
|
|
2.433104856952699 3.26940021068e+33 1.26465903728e+35
|
|
2.4631431885200166 1.04493500116e+34 4.04198448471e+35
|
|
2.493181520087334 3.33972314889e+34 1.29186113356e+36
|
|
2.523219851654651 1.06741095846e+35 4.12892527105e+36
|
|
2.5532581832219683 3.41155869349e+35 1.31964833147e+37
|
|
2.5832965147892857 1.09037036081e+36 4.21773610424e+37
|
|
2.613334846356603 3.48493937977e+36 1.34803321618e+38
|
|
2.64337317792392 1.11382360684e+37 4.30845720791e+38
|
|
2.6734115094912374 3.55989844287e+37 1.37702864362e+39
|
|
2.703449841058555 1.13778131885e+38 4.4011296709e+39
|
|
2.733488172625872 3.63646983276e+38 1.4066477462e+40
|
|
2.763526504193189 1.16225434761e+39 4.49579546583e+40
|
|
2.7935648357605065 3.71468822968e+39 1.43690393883e+41
|
|
2.823603167327824 1.18725377729e+40 4.59249746815e+41
|
|
2.8536414988951413 3.79458905981e+40 1.46781092494e+42
|
|
2.8836798304624582 1.21279093048e+41 4.69127947552e+42
|
|
2.9137181620297756 3.87620851133e+41 1.49938270274e+43
|
|
2.943756493597093 1.23887737331e+42 4.79218622766e+43
|
|
2.97379482516441 3.9595835508e+42 1.53163357151e+44
|
|
3.0038331567317273 1.26552492067e+43 4.89526342661e+44
|
|
end
|
|
mass_density
|
|
end
|
|
##################################
|
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material CNT metal
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stress linear
|
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modulus 0.00025
|
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possions_ratio 0.25
|
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end
|
|
electric_field linear
|
|
permittivity 1.0
|
|
end
|
|
electron_density interpolation
|
|
number_of_points 101
|
|
0. 0.0 0.
|
|
0.030038331567317274 3.11120004598e-11 1.653539615826348e-9
|
|
0.06007666313463455 1.305493941e-10 5.284895465301664e-9
|
|
0.09011499470195182 4.48362287864e-10 1.6891109141345755e-8
|
|
0.1201533262692691 1.46412724329e-09 5.398583679640549e-8
|
|
0.15019165783658636 4.71062211991e-09 1.725445299282907e-7
|
|
0.18022998940390364 1.50867550699e-08 5.514695781296472e-7
|
|
0.21026832097122092 4.82497791595e-08 1.7625390400121588e-6
|
|
0.2403066525385382 1.54239969101e-07 5.633078117225061e-6
|
|
0.27034498410585545 4.9297074045e-07 0.000018001982245924085
|
|
0.3003833156731727 1.57533042898e-06 0.00005751633031555344
|
|
0.33042164724049 5.03200451177e-06 0.00018362454070094286
|
|
0.3604599788078073 1.60527544839e-05 0.0005848087383794375
|
|
0.39049831037512456 5.10015191986e-05 0.001848182804252438
|
|
0.42053664194244184 0.000159980098431 0.005701709526869267
|
|
0.4505749735097591 0.000482998925326 0.01637137074969214
|
|
0.4806133050770764 0.00131817051187 0.038992806229375045
|
|
0.5106516366443936 0.00294115621754 0.06503000194530548
|
|
0.5406899682117109 0.00508015869414 0.0729008158810893
|
|
0.5707282997790282 0.00716611932164 0.06556259551897992
|
|
0.6007666313463454 0.00898052123192 0.05645439053328073
|
|
0.6308049629136627 0.0105601501036 0.049815865268590394
|
|
0.66084329448098 0.0119790088765 0.04539080713540087
|
|
0.6908816260482973 0.0132900295865 0.042379220237637426
|
|
0.7209199576156146 0.0145258424758 0.04022837894268366
|
|
0.7509582891829318 0.0157065564731 0.03861749581632619
|
|
0.7809966207502491 0.0168451122156 0.037363034057976294
|
|
0.8110349523175664 0.0179502855403 0.03635621108851509
|
|
0.8410732838848837 0.0190283197381 0.03552919162573923
|
|
0.871111615452201 0.0200838365834 0.03483744837884741
|
|
0.9011499470195182 0.0211203674156 0.03425039534541387
|
|
0.9311882785868355 0.022140679143 0.033746211470478314
|
|
0.9612266101541528 0.0231469841021 0.03330883967685784
|
|
0.9912649417214701 0.024141080912 0.03292616176270962
|
|
1.0213032732887872 0.0251244525324 0.032588838918191185
|
|
1.0513416048561046 0.0260983358092 0.03228954667947372
|
|
1.0813799364234218 0.0270637737182 0.03202245296113592
|
|
1.1114182679907392 0.0280216533134 0.03178285439410583
|
|
1.1414565995580563 0.0289727352102 0.03156691301611754
|
|
1.1714949311253737 0.0299176762968 0.0313714657866148
|
|
1.201533262692691 0.0308570475735 0.031193889937014527
|
|
1.2315715942600083 0.031791348178 0.031031956238005542
|
|
1.2616099258273255 0.0327210169728 0.030883825000442396
|
|
1.2916482573946428 0.0336464415009 0.0307479039432362
|
|
1.32168658896196 0.0345679656224 0.030622844039848298
|
|
1.3517249205292774 0.0354858956854 0.030507458341606366
|
|
1.3817632520965946 0.0364005056623 0.030400757869583617
|
|
1.411801583663912 0.0373120414469 0.030301858586828184
|
|
1.4418399152312291 0.0382207244655 0.030209994496624752
|
|
1.4718782467985465 0.0391267547317 0.030124494098011878
|
|
1.5019165783658637 0.0400303134452 0.03004476581705612
|
|
1.531954909933181 0.0409315650787 0.029970288219074822
|
|
1.5619932415004982 0.0418306601507 0.02990059963079603
|
|
1.5920315730678156 0.0427277349489 0.029835293438077386
|
|
1.6220699046351328 0.0436229151745 0.029774019076532144
|
|
1.6521082362024502 0.044516317751 0.029716407552826403
|
|
1.6821465677697673 0.0454080530287 0.029662626707643885
|
|
1.7121848993370847 0.0462982385279 0.02961298412021584
|
|
1.742223230904402 0.0471870347146 0.029569635475972557
|
|
1.7722615624717193 0.0480747703788 0.029541516649641473
|
|
1.8022998940390365 0.0489621704702 0.029552288942061123
|
|
1.8323382256063538 0.0498515467322 0.02968333340734747
|
|
1.862376557173671 0.0507500435582 0.030191802757367894
|
|
1.8924148887409884 0.0516801340684 0.031886183539018474
|
|
1.9224532203083056 0.0527113897679 0.03720666766981422
|
|
1.9524915518756227 0.0540460509974 0.052636610570960266
|
|
1.9825298834429401 0.0561682150091 0.08923741142871283
|
|
2.0125682150102575 0.0597297874893 0.1425588610287404
|
|
2.0426065465775745 0.0645822638456 0.17026333300247892
|
|
2.072644878144892 0.0695819913742 0.1596429163642311
|
|
2.1026832097122092 0.0740333501649 0.13897007646057605
|
|
2.1327215412795266 0.0779218308956 0.12252787313331283
|
|
2.1627598728468436 0.0814052197727 0.11124641325073001
|
|
2.192798204414161 0.0846113651798 0.10344940236257551
|
|
2.2228365359814783 0.0876213445276 0.09779979020403731
|
|
2.2528748675487957 0.0904853576471 0.09349798645662644
|
|
2.2829131991161127 0.0932356933741 0.09008535179206456
|
|
2.31295153068343 0.0958942586999 0.08729158588923548
|
|
2.3429898622507475 0.0984766912378 0.08494928093549334
|
|
2.373028193818065 0.10099463785 0.08294910708132988
|
|
2.403066525385382 0.103457071974 0.08121614575760047
|
|
2.433104856952699 0.105871094893 0.0796969422795216
|
|
2.4631431885200166 0.108242447924 0.07835207140401185
|
|
2.493181520087334 0.110575854601 0.07715166173867499
|
|
2.523219851654651 0.112875257712 0.07607257305277502
|
|
2.5532581832219683 0.115143989975 0.07509654087469685
|
|
2.5832965147892857 0.117384897246 0.07420893120995713
|
|
2.613334846356603 0.119600432924 0.07339783734291801
|
|
2.64337317792392 0.12179272919 0.07265347444221401
|
|
2.6734115094912374 0.123963652516 0.07196770785664322
|
|
2.703449841058555 0.126114847379 0.07133371221308255
|
|
2.733488172625872 0.128247771152 0.07074571261683255
|
|
2.763526504193189 0.130363722241 0.07019878575403907
|
|
2.7935648357605065 0.132463862975 0.06968869545443726
|
|
2.823603167327824 0.134549238605 0.06921181782011286
|
|
2.8536414988951413 0.136620792638 0.06876495220802538
|
|
2.8836798304624582 0.138679380186 0.06834533574022583
|
|
2.9137181620297756 0.140725778795 0.06795053531526343
|
|
2.943756493597093 0.142760697785 0.067578405226939
|
|
2.97379482516441 0.144784786147 0.06722704301294175
|
|
3.0038331567317273 0.146798639354 0.06689476057276483
|
|
end
|
|
mass_density
|
|
end
|
|
##################################
|
|
material CNTx metal
|
|
stress linear
|
|
modulus 0.00025
|
|
possions_ratio 0.25
|
|
end
|
|
electric_field linear
|
|
permittivity 1.0
|
|
end
|
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electron_density interpolation
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scale -1.
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number_of_points 1001
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|
2.8956951630893855 0.139499361143 0.06818456383459855
|
|
2.898698996246117 0.139704057275 0.06814497392021064
|
|
2.901702829402849 0.139908635197 0.06810562088125449
|
|
2.9047066625595805 0.140113095614 0.068066502590014
|
|
2.9077104957163122 0.140317439226 0.06802761694496864
|
|
2.910714328873044 0.140521666724 0.06798896187018356
|
|
2.9137181620297756 0.140725778795 0.06795053531526343
|
|
2.9167219951865073 0.140929776119 0.06791233525477029
|
|
2.919725828343239 0.141133659371 0.06787435968872252
|
|
2.9227296614999707 0.141337429219 0.06783660664266879
|
|
2.9257334946567024 0.141541086326 0.06779907416745701
|
|
2.928737327813434 0.141744631349 0.06776176034016759
|
|
2.931741160970166 0.141948064938 0.06772466326294001
|
|
2.934744994126898 0.142151387739 0.06768778106154051
|
|
2.9377488272836296 0.142354600419 0.06765112110179695
|
|
2.9407526604403613 0.142557703531 0.06761464466233671
|
|
2.943756493597093 0.142760697785 0.067578405226939
|
|
2.9467603267538247 0.142963583773 0.06754236227849171
|
|
2.9497641599105564 0.143166362119 0.06750652768951963
|
|
2.952767993067288 0.143369033434 0.06747089607595515
|
|
2.95577182622402 0.143571598324 0.06743546671092951
|
|
2.9587756593807515 0.143774057394 0.06740023787839872
|
|
2.961779492537483 0.143976411239 0.06736520788202773
|
|
2.964783325694215 0.144178660452 0.06733037504526448
|
|
2.9677871588509466 0.14438080562 0.06729573771061917
|
|
2.9707909920076783 0.144582847326 0.06726129423971962
|
|
2.97379482516441 0.144784786147 0.06722704301294175
|
|
2.976798658321142 0.144986622652 0.06719298150888776
|
|
2.979802491477874 0.145188357418 0.06715911146930756
|
|
2.9828063246346055 0.145389990979 0.06712541939727514
|
|
2.985810157791337 0.145591523963 0.06709193683812592
|
|
2.988813990948069 0.145792956855 0.06705861520305391
|
|
2.9918178241048006 0.145994290227 0.06702548435918848
|
|
2.9948216572615323 0.146195524625 0.06699253495579996
|
|
2.997825490418264 0.146396660589 0.06695976550237548
|
|
3.0008293235749957 0.146597698655 0.0669271745261616
|
|
3.0038331567317273 0.146798639354 0.06689476057276483
|
|
end
|
|
mass_density
|
|
body_force
|
|
end
|