169 lines
7.6 KiB
Groff
169 lines
7.6 KiB
Groff
LAMMPS (1 Oct 2006)
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# 2d indenter simulation
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dimension 2
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boundary p s p
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atom_style atomic
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neighbor 0.3 bin
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neigh_modify delay 5
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# create geometry
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lattice hex 0.9
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region box block 0 20 0 10 -0.25 0.25
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create_box 2 box
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Created box = (0 0 -0.283174) to (22.6539 19.6189 0.283174)
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1 by 1 by 1 processor grid
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create_atoms 1
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Created 420 atoms
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mass 1 1.0
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mass 2 1.0
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# LJ potentials
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pair_style lj/cut 2.5
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pair_coeff * * 1.0 1.0 2.5
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# define groups
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region 1 block INF INF INF 1.25 INF INF
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group lower region 1
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60 atoms in group lower
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group mobile subtract all lower
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360 atoms in group mobile
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set lower atom 2
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60 settings made
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# initial velocities
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temperature new mobile full
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velocity mobile create 0.2 482748 temp new
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fix 1 all nve
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fix 2 lower setforce 0.0 0.0 0.0
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fix 3 all temp/rescale 100 0.1 0.1 0.01 1.0
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# indenter
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fix 4 all indent 1000.0 sphere 10 13 0 5.0 vel 0.0 -0.02 0.0
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fix 5 all enforce2d
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# Run with indenter
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timestep 0.003
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thermo 1000
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thermo_modify temp new
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dump 1 all atom 250 dump.indent
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run 30000
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Memory usage per processor = 1.45035 Mbytes
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Step Temp E_pair E_mol TotEng Press Volume
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0 0.2 -3.1727576 0 -3.0020433 -1.6911656 251.71282
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1000 0.11979027 -3.0878285 0 -2.9855789 -0.043690155 249.58001
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2000 0.12095292 -3.0888211 0 -2.9855791 -0.46999358 251.6098
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3000 0.1167364 -3.0841547 0 -2.9845118 -0.41054969 250.8041
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4000 0.12249143 -3.1004175 0 -2.9958623 -0.060853986 248.47717
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5000 0.10957873 -3.0886367 0 -2.9951034 -0.57642649 251.31708
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6000 0.12346008 -3.0985964 0 -2.9932144 -0.072968634 250.46216
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7000 0.10994736 -3.0850721 0 -2.9912241 -0.20324168 251.37979
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8000 0.11557891 -3.086042 0 -2.9873871 0.22717975 249.49714
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9000 0.12016755 -3.084536 0 -2.9819645 0.33218396 248.89256
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10000 0.12659552 -3.0852403 0 -2.977182 0.40666454 249.67836
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11000 0.12524777 -3.0736607 0 -2.9667528 0.77561215 248.69926
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12000 0.11844672 -3.0571177 0 -2.9560149 0.77334207 249.761
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13000 0.12031569 -3.0583679 0 -2.9556699 1.2700141 247.59077
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14000 0.1167364 -3.0548463 0 -2.9552034 1.0859393 250.18904
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15000 0.1167364 -3.0549235 0 -2.9552806 1.2995978 251.78491
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16000 0.12471788 -3.052462 0 -2.9460064 1.6452635 249.66328
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17000 0.12078161 -3.0356476 0 -2.9325519 1.9172373 248.00711
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18000 0.11737985 -3.0294795 0 -2.9292874 1.9843046 254.0314
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19000 0.12273219 -3.0164914 0 -2.9117307 1.9954937 251.85839
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20000 0.12550051 -3.0011844 0 -2.8940608 1.779848 260.26132
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21000 0.12036751 -2.9934276 0 -2.8906853 1.3693509 269.07657
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22000 0.12307091 -3.0182302 0 -2.9131804 0.94154126 269.78997
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23000 0.11949164 -3.0176126 0 -2.9156179 1.19816 265.98797
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24000 0.1167364 -3.020151 0 -2.9205082 0.95639973 266.25197
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25000 0.12252115 -3.0162117 0 -2.9116312 1.5771822 264.20779
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26000 0.11367117 -3.0238072 0 -2.9267808 0.71311555 265.96581
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27000 0.12007686 -3.0147427 0 -2.9122485 1.185271 266.21643
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28000 0.11526199 -3.0019986 0 -2.9036143 1.2838023 267.44914
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29000 0.12754217 -3.0122896 0 -2.9034233 1.3382791 269.93381
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30000 0.12108464 -2.9981686 0 -2.8948142 1.0638866 269.70142
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Loop time of 16.0381 on 1 procs for 30000 steps with 420 atoms
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Pair time (%) = 12.7017 (79.1969)
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Neigh time (%) = 0.325385 (2.02882)
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Comm time (%) = 0.319287 (1.9908)
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Outpt time (%) = 0.343728 (2.14319)
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Other time (%) = 2.34803 (14.6403)
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Nlocal: 420 ave 420 max 420 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 111 ave 111 max 111 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 3647 ave 3647 max 3647 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 3647
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Ave neighs/atom = 8.68333
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Neighbor list builds = 621
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Dangerous builds = 0
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# Run without indenter
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unfix 4
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run 30000
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Memory usage per processor = 1.45035 Mbytes
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Step Temp E_pair E_mol TotEng Press Volume
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30000 0.12108464 -2.9981686 0 -2.8948142 1.0650921 269.39617
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31000 0.10657868 -3.0036168 0 -2.9126443 -0.0032557036 272.44965
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32000 0.1167364 -3.0371073 0 -2.9374644 -0.35201197 275.67834
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33000 0.11914647 -3.0500345 0 -2.9483345 0.061830594 274.41844
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34000 0.11331538 -3.062714 0 -2.9659912 -0.45332011 275.96007
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35000 0.11038437 -3.0765417 0 -2.9823208 -0.36244079 275.11931
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36000 0.11892267 -3.0721585 0 -2.9706495 -0.29991556 275.37903
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37000 0.11275568 -3.0668928 0 -2.9706478 -0.48726288 275.34035
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38000 0.1208952 -3.0738053 0 -2.9706126 -0.29578963 278.34451
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39000 0.10944817 -3.0773595 0 -2.9839377 -0.37875952 274.00319
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40000 0.11332842 -3.080676 0 -2.9839421 -0.45568111 275.74499
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41000 0.12031253 -3.0762241 0 -2.9735288 -0.21242519 276.03968
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42000 0.12031396 -3.0762248 0 -2.9735282 -0.34222153 274.86604
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43000 0.11012454 -3.0675234 0 -2.9735242 -0.38191996 274.79485
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44000 0.11896309 -3.0750688 0 -2.9735254 -0.39778513 275.34531
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45000 0.11416813 -3.070974 0 -2.9735234 -0.43325648 275.80725
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46000 0.11899053 -3.0750933 0 -2.9735264 -0.35449325 275.10793
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47000 0.11629126 -3.0727892 0 -2.9735263 -0.30843482 274.0454
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48000 0.1167364 -3.0847916 0 -2.9851487 -0.50651671 275.70527
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49000 0.11521427 -3.0729187 0 -2.9745751 -0.22466242 275.84873
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50000 0.11128506 -3.0695232 0 -2.9745335 -0.24912645 275.25969
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51000 0.11019914 -3.0694308 0 -2.975368 -0.31599349 275.27739
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52000 0.11953699 -3.0773655 0 -2.9753322 -0.26602137 275.2982
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53000 0.11403111 -3.0727022 0 -2.9753685 -0.51238084 276.07268
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54000 0.11607222 -3.0744423 0 -2.9753664 -0.44949735 276.40633
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55000 0.1169534 -3.0751976 0 -2.9753695 -0.25155291 275.66943
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56000 0.11200164 -3.0709683 0 -2.9753669 -0.49059346 275.98698
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57000 0.11837073 -3.0764076 0 -2.9753698 -0.36710375 274.96496
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58000 0.11241958 -3.0713261 0 -2.9753679 -0.35883352 273.98621
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59000 0.11701473 -3.0752489 0 -2.9753684 -0.37410362 275.64889
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60000 0.11038413 -3.0695887 0 -2.975368 -0.17138902 275.08559
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Loop time of 15.4958 on 1 procs for 30000 steps with 420 atoms
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Pair time (%) = 12.5699 (81.1182)
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Neigh time (%) = 0.328618 (2.12069)
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Comm time (%) = 0.33072 (2.13426)
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Outpt time (%) = 0.25356 (1.63632)
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Other time (%) = 2.01299 (12.9906)
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Nlocal: 420 ave 420 max 420 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 110 ave 110 max 110 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 3560 ave 3560 max 3560 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 3560
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Ave neighs/atom = 8.47619
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Neighbor list builds = 635
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Dangerous builds = 0
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