Dear lammps-users
I want to ask you a question.
In the manue,we know enthalpy = etotal + pressvol and etotal= pe +ke,
So I output these values,but I find a strange phenomenon :enthalpy doesn’t equal etotal + pressvol. Why? Can somebody explain it.
Looking forwarding your reply. Thanks. Jack zhuang
My log:
Step Temp KinEng PotEng TotEng Press Volume Enthalpy
0 477.31342 2559.5824 -13469.161 -10909.579 -61049882 27000 -24050357
100 266.194 1427.4593 -11232.276 -9804.8162 6480.3502 27000 -7253.0662
200 182.22443 977.17439 -10728.642 -9751.4674 8841.6481 27000 -6269.9155
300 179.18587 960.88018 -10634.908 -9674.0275 9877.6708 27000 -5784.5237
400 212.00624 1136.8786 -10745.622 -9608.7429 9922.377 27000 -5701.6353
500 218.91128 1173.9068 -10728.879 -9554.9722 9958.4366 27000 -5633.6655
600 217.02122 1163.7714 -10664.671 -9500.9 9747.7796 27000 -5662.5431
700 222.52718 1193.2969 -10641.25 -9447.9533 9082.7987 27000 -5871.4442
800 225.15994 1207.4151 -10605.056 -9397.6407 8271.2068 27000 -6140.7099
900 229.2228 1229.202 -10577.655 -9348.453 7402.3766 27000 -6433.6391
1000 237.70684 1274.6975 -10577.752 -9303.054 6520.7493 27000 -6735.3962
1100 240.83792 1291.4879 -10552.765 -9261.2776 5846.28 27000 -6959.2036
1200 240.87031 1291.6616 -10511.194 -9219.5324 5362.9141 27000 -7107.7922
1300 245.01573 1313.8913 -10492.727 -9178.8355 4893.3512 27000 -7251.9938
1400 246.45412 1321.6046 -10461.942 -9140.3377 4495.3736 27000 -7370.2066