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[求助]
热导率计算时得到的log文件中的温度一直在上升是怎么回事？ 已有2人参与
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我做的是纳米碳化硅的热导率，设定的温度是300K,在nve条件下得到的log文件中的温度一直在上升是怎么回事？下面是截的log文件中NVE下一部分 Step Temp TotEng Volume KinEng 200001 300.37892 -153289.31 282858.87 1120.5091 201000 301.15112 -153289.31 282858.87 1123.3896 202000 300.91712 -153289.31 282858.87 1122.5167 203000 302.22215 -153289.31 282858.87 1127.3849 204000 300.4727 -153289.31 282858.87 1120.8589 205000 301.19263 -153289.31 282858.87 1123.5445 206000 300.79558 -153289.31 282858.87 1122.0633 207000 301.16912 -153289.31 282858.87 1123.4567 208000 300.83605 -153289.31 282858.87 1122.2143 209000 300.33341 -153289.31 282858.87 1120.3393 210000 302.72808 -153289.31 282858.87 1129.2721 211000 300.74372 -153289.31 282858.87 1121.8699 212000 299.98261 -153289.31 282858.87 1119.0307 213000 301.78479 -153289.31 282858.87 1125.7534 214000 302.11694 -153289.31 282858.87 1126.9924 215000 302.77404 -153289.31 282858.87 1129.4436 216000 302.43235 -153289.31 282858.87 1128.169 217000 302.45205 -153289.31 282858.87 1128.2425 218000 303.72764 -153289.31 282858.87 1133.0008 219000 304.18021 -153289.31 282858.87 1134.6891 220000 302.03542 -153289.31 282858.87 1126.6883 221000 301.55726 -153289.31 282858.87 1124.9046 222000 303.50464 -153289.3 282858.87 1132.169 223000 304.33178 -153289.31 282858.87 1135.2545 224000 305.33669 -153289.31 282858.87 1139.0031 225000 303.10021 -153289.3 282858.87 1130.6603 226000 303.44528 -153289.3 282858.87 1131.9475 227000 305.43154 -153289.3 282858.87 1139.3569 228000 304.0588 -153289.3 282858.87 1134.2362 229000 305.64068 -153289.3 282858.87 1140.1371 230000 305.73942 -153289.3 282858.87 1140.5054 231000 305.78949 -153289.3 282858.87 1140.6922 232000 306.30556 -153289.3 282858.87 1142.6173 233000 306.38541 -153289.3 282858.87 1142.9152 234000 306.36718 -153289.3 282858.87 1142.8472 235000 306.22244 -153289.3 282858.87 1142.3072 236000 305.48913 -153289.3 282858.87 1139.5718 237000 303.89248 -153289.3 282858.87 1133.6157 238000 307.14254 -153289.3 282858.87 1145.7395 239000 306.55785 -153289.3 282858.87 1143.5584 240000 304.97127 -153289.3 282858.87 1137.64 241000 305.04083 -153289.3 282858.87 1137.8994 242000 303.52264 -153289.3 282858.87 1132.2361 243000 306.00386 -153289.3 282858.87 1141.4919 244000 307.64665 -153289.3 282858.87 1147.62 245000 306.24365 -153289.3 282858.87 1142.3864 246000 308.60659 -153289.3 282858.87 1151.2009 247000 306.66593 -153289.3 282858.87 1143.9616 248000 310.07304 -153289.3 282858.87 1156.6712 249000 308.04275 -153289.3 282858.87 1149.0976 250000 308.10668 -153289.3 282858.87 1149.3361 251000 309.08255 -153289.3 282858.87 1152.9764 252000 308.03249 -153289.3 282858.87 1149.0593 253000 308.97758 -153289.3 282858.87 1152.5848 254000 309.88813 -153289.3 282858.87 1155.9814 255000 309.32759 -153289.3 282858.87 1153.8904 256000 308.36578 -153289.3 282858.87 1150.3026 257000 308.53519 -153289.3 282858.87 1150.9345 258000 308.9681 -153289.3 282858.87 1152.5494 259000 310.89674 -153289.3 282858.87 1159.7439 260000 310.63347 -153289.3 282858.87 1158.7618 261000 311.11084 -153289.3 282858.87 1160.5425 262000 307.73715 -153289.3 282858.87 1147.9576 263000 309.15678 -153289.3 282858.87 1153.2533 264000 310.58464 -153289.3 282858.87 1158.5796 265000 309.73292 -153289.3 282858.87 1155.4024 266000 308.9308 -153289.3 282858.87 1152.4103 267000 309.13367 -153289.3 282858.87 1153.1671 268000 312.02975 -153289.3 282858.87 1163.9704 269000 308.21301 -153289.3 282858.87 1149.7327 270000 311.67782 -153289.3 282858.87 1162.6575 271000 310.56525 -153289.3 282858.87 1158.5073 272000 311.46201 -153289.3 282858.87 1161.8525 273000 311.0587 -153289.3 282858.87 1160.348 274000 311.71608 -153289.3 282858.87 1162.8003 275000 311.17422 -153289.3 282858.87 1160.779 276000 309.40283 -153289.3 282858.87 1154.1711 277000 311.4306 -153289.3 282858.87 1161.7353 278000 312.86202 -153289.3 282858.87 1167.075 279000 311.18918 -153289.3 282858.87 1160.8348 280000 312.29169 -153289.3 282858.87 1164.9475 281000 311.11751 -153289.3 282858.87 1160.5674 282000 310.08747 -153289.3 282858.87 1156.725 283000 313.02229 -153289.3 282858.87 1167.6728 284000 312.99118 -153289.3 282858.87 1167.5568 285000 314.73919 -153289.3 282858.87 1174.0774 286000 314.7873 -153289.3 282858.87 1174.2569 287000 313.99914 -153289.3 282858.87 1171.3168 288000 314.5485 -153289.3 282858.87 1173.3661 289000 315.35273 -153289.3 282858.87 1176.3661 290000 316.49571 -153289.3 282858.87 1180.6298 291000 314.20446 -153289.3 282858.87 1172.0827 292000 313.76398 -153289.3 282858.87 1170.4396 293000 315.99681 -153289.3 282858.87 1178.7687 294000 316.13316 -153289.3 282858.87 1179.2774 295000 315.6502 -153289.3 282858.87 1177.4758 296000 312.34716 -153289.3 282858.87 1165.1544 297000 315.11238 -153289.3 282858.87 1175.4695 298000 314.76879 -153289.3 282858.87 1174.1878 299000 315.59331 -153289.3 282858.87 1177.2636 300000 315.83138 -153289.3 282858.87 1178.1517 301000 315.2677 -153289.3 282858.87 1176.0489 302000 313.77249 -153289.3 282858.87 1170.4713 303000 315.72905 -153289.3 282858.87 1177.7699 304000 315.78663 -153289.3 282858.87 1177.9847 305000 318.70801 -153289.3 282858.87 1188.8824 306000 318.3048 -153289.3 282858.87 1187.3783 307000 317.78214 -153289.3 282858.87 1185.4286 308000 319.00902 -153289.3 282858.87 1190.0053 309000 316.59822 -153289.3 282858.87 1181.0122 310000 316.40852 -153289.3 282858.87 1180.3046 311000 316.63905 -153289.3 282858.87 1181.1645 312000 316.55563 -153289.29 282858.87 1180.8533 313000 314.72219 -153289.29 282858.87 1174.014 314000 316.87316 -153289.29 282858.87 1182.0378 315000 317.24913 -153289.3 282858.87 1183.4403 316000 318.45988 -153289.3 282858.87 1187.9568 317000 317.78712 -153289.3 282858.87 1185.4472 318000 317.87589 -153289.3 282858.87 1185.7783 319000 320.19946 -153289.3 282858.87 1194.446 320000 316.34417 -153289.29 282858.87 1180.0645 321000 317.43928 -153289.29 282858.87 1184.1496 322000 316.80629 -153289.29 282858.87 1181.7884 323000 318.32539 -153289.29 282858.87 1187.4551 324000 319.946 -153289.29 282858.87 1193.5005 325000 319.64603 -153289.29 282858.87 1192.3815 326000 318.5826 -153289.29 282858.87 1188.4146 327000 319.98046 -153289.29 282858.87 1193.629 328000 319.59069 -153289.29 282858.87 1192.1751 329000 317.45833 -153289.29 282858.87 1184.2207 330000 320.46775 -153289.29 282858.87 1195.4468 331000 319.02403 -153289.29 282858.87 1190.0612 332000 322.18002 -153289.3 282858.87 1201.8341 333000 320.504 -153289.3 282858.87 1195.582 334000 319.81391 -153289.3 282858.87 1193.0077 335000 319.42209 -153289.3 282858.87 1191.5461 336000 320.18904 -153289.3 282858.87 1194.4071 337000 321.90934 -153289.3 282858.87 1200.8244 338000 322.94234 -153289.3 282858.87 1204.6778 339000 321.00226 -153289.29 282858.87 1197.4407 340000 320.34445 -153289.29 282858.87 1194.9868 341000 321.05425 -153289.29 282858.87 1197.6346 342000 321.76189 -153289.3 282858.87 1200.2743 343000 323.28013 -153289.29 282858.87 1205.9379 344000 322.95981 -153289.29 282858.87 1204.7429 345000 323.79453 -153289.3 282858.87 1207.8567 346000 320.50015 -153289.3 282858.87 1195.5677 347000 323.18167 -153289.3 282858.87 1205.5706 348000 319.91777 -153289.29 282858.87 1193.3952 349000 322.87304 -153289.3 282858.87 1204.4193 350000 324.5488 -153289.3 282858.87 1210.6704 351000 323.19425 -153289.29 282858.87 1205.6175 352000 323.07029 -153289.3 282858.87 1205.1551 353000 325.40801 -153289.3 282858.87 1213.8755 354000 324.04442 -153289.3 282858.87 1208.7889 355000 323.77152 -153289.3 282858.87 1207.7709 356000 323.01493 -153289.29 282858.87 1204.9486 357000 324.12313 -153289.29 282858.87 1209.0825 358000 323.11645 -153289.3 282858.87 1205.3273 359000 323.32344 -153289.3 282858.87 1206.0994 360000 324.22517 -153289.3 282858.87 1209.4632 361000 323.23615 -153289.3 282858.87 1205.7738 362000 323.67844 -153289.3 282858.87 1207.4237 363000 323.25535 -153289.29 282858.87 1205.8454 364000 322.79322 -153289.3 282858.87 1204.1215 365000 325.78284 -153289.3 282858.87 1215.2738 366000 324.57264 -153289.3 282858.87 1210.7593 367000 325.51285 -153289.3 282858.87 1214.2666 368000 325.42747 -153289.3 282858.87 1213.9481 369000 324.98642 -153289.29 282858.87 1212.3029 370000 325.80469 -153289.3 282858.87 1215.3553 371000 325.57232 -153289.3 282858.87 1214.4884 372000 327.1738 -153289.3 282858.87 1220.4625 373000 326.83262 -153289.3 282858.87 1219.1898 374000 327.90652 -153289.3 282858.87 1223.1958 375000 326.55122 -153289.3 282858.87 1218.1401 376000 328.99724 -153289.3 282858.87 1227.2645 377000 326.54498 -153289.3 282858.87 1218.1168 378000 326.80203 -153289.3 282858.87 1219.0757 379000 328.24591 -153289.3 282858.87 1224.4618 380000 327.88804 -153289.3 282858.87 1223.1268 381000 327.56513 -153289.3 282858.87 1221.9223 382000 324.94846 -153289.3 282858.87 1212.1613 383000 327.35087 -153289.3 282858.87 1221.123 384000 328.2409 -153289.3 282858.87 1224.4431 385000 329.34867 -153289.3 282858.87 1228.5755 386000 329.44746 -153289.3 282858.87 1228.944 387000 326.93071 -153289.3 282858.87 1219.5557 388000 326.84288 -153289.3 282858.87 1219.228 389000 328.07394 -153289.3 282858.87 1223.8203 390000 327.13103 -153289.3 282858.87 1220.3029 391000 328.99871 -153289.3 282858.87 1227.27 392000 329.32186 -153289.3 282858.87 1228.4754 393000 330.26772 -153289.3 282858.87 1232.0038 394000 329.59824 -153289.3 282858.87 1229.5064 395000 330.23253 -153289.3 282858.87 1231.8725 396000 328.3613 -153289.3 282858.87 1224.8922 397000 330.99972 -153289.3 282858.87 1234.7344 398000 330.00557 -153289.3 282858.87 1231.0259 399000 329.50093 -153289.3 282858.87 1229.1434 400000 330.37161 -153289.3 282858.87 1232.3913 401000 333.67329 -153289.3 282858.87 1244.7077 402000 330.15536 -153289.3 282858.87 1231.5846 403000 331.89449 -153289.3 282858.87 1238.0721 404000 331.04172 -153289.3 282858.87 1234.8911 405000 329.84552 -153289.3 282858.87 1230.4289 406000 331.92047 -153289.3 282858.87 1238.1691 407000 332.41679 -153289.3 282858.87 1240.0205 408000 332.17067 -153289.3 282858.87 1239.1024 409000 333.4135 -153289.3 282858.87 1243.7385 410000 333.32503 -153289.3 282858.87 1243.4085 411000 331.07284 -153289.3 282858.87 1235.0072 412000 333.99691 -153289.3 282858.87 1245.9148 413000 333.60745 -153289.3 282858.87 1244.462 414000 332.64208 -153289.3 282858.87 1240.8609 415000 332.25326 -153289.3 282858.87 1239.4105 416000 334.39567 -153289.3 282858.87 1247.4024 417000 333.36545 -153289.3 282858.87 1243.5593 418000 332.96689 -153289.3 282858.87 1242.0725 419000 332.85321 -153289.3 282858.87 1241.6485 420000 332.64107 -153289.3 282858.87 1240.8571 421000 332.15716 -153289.3 282858.87 1239.052 422000 334.89316 -153289.3 282858.87 1249.2582 423000 331.475 -153289.3 282858.87 1236.5073 424000 334.43437 -153289.3 282858.87 1247.5467 425000 333.11008 -153289.3 282858.87 1242.6067 426000 334.75715 -153289.3 282858.87 1248.7508 427000 335.32277 -153289.3 282858.87 1250.8608 428000 332.69451 -153289.3 282858.87 1241.0565 429000 334.44832 -153289.3 282858.87 1247.5988 430000 334.18149 -153289.3 282858.87 1246.6034 431000 334.29686 -153289.3 282858.87 1247.0338 432000 335.23389 -153289.3 282858.87 1250.5292 433000 335.59924 -153289.3 282858.87 1251.8921 434000 337.06487 -153289.3 282858.87 1257.3593 435000 336.83431 -153289.3 282858.87 1256.4993 436000 334.72506 -153289.3 282858.87 1248.6311 437000 334.21242 -153289.3 282858.87 1246.7188 438000 335.50973 -153289.3 282858.87 1251.5582 439000 336.39375 -153289.3 282858.87 1254.8558 440000 335.1972 -153289.3 282858.87 1250.3923 441000 336.90143 -153289.3 282858.87 1256.7496 442000 335.8904 -153289.3 282858.87 1252.9782 443000 337.3918 -153289.3 282858.87 1258.5789 444000 337.72171 -153289.3 282858.87 1259.8095 445000 335.95703 -153289.3 282858.87 1253.2267 446000 336.98854 -153289.3 282858.87 1257.0746 447000 339.22737 -153289.3 282858.87 1265.4262 448000 338.02565 -153289.3 282858.87 1260.9433 449000 336.15108 -153289.3 282858.87 1253.9506 450000 338.6376 -153289.3 282858.87 1263.2261 451000 338.67702 -153289.3 282858.87 1263.3732 452000 336.67117 -153289.3 282858.87 1255.8907 453000 337.37302 -153289.3 282858.87 1258.5088 454000 337.00425 -153289.3 282858.87 1257.1332 455000 339.42415 -153289.31 282858.87 1266.1602 456000 338.83739 -153289.3 282858.87 1263.9714 457000 336.61102 -153289.3 282858.87 1255.6663 458000 338.84467 -153289.31 282858.87 1263.9986 459000 340.2881 -153289.31 282858.87 1269.383 460000 340.00908 -153289.31 282858.87 1268.3422 461000 337.57525 -153289.31 282858.87 1259.2632 462000 342.55023 -153289.31 282858.87 1277.8215 463000 339.15943 -153289.31 282858.87 1265.1727 464000 342.17948 -153289.31 282858.87 1276.4385 465000 341.99044 -153289.3 282858.87 1275.7333 466000 341.53151 -153289.3 282858.87 1274.0213 467000 341.6599 -153289.31 282858.87 1274.5002 468000 341.38584 -153289.31 282858.87 1273.4779 469000 342.18182 -153289.31 282858.87 1276.4472 470000 340.96245 -153289.31 282858.87 1271.8985 471000 342.49706 -153289.31 282858.87 1277.6231 472000 344.06764 -153289.31 282858.87 1283.4819 473000 339.22757 -153289.31 282858.87 1265.4269 474000 341.12857 -153289.3 282858.87 1272.5182 475000 342.74674 -153289.31 282858.87 1278.5545 476000 341.12485 -153289.31 282858.87 1272.5043 477000 342.42363 -153289.31 282858.87 1277.3492 478000 341.71116 -153289.31 282858.87 1274.6915 479000 341.96435 -153289.31 282858.87 1275.636 480000 341.95396 -153289.31 282858.87 1275.5972 481000 342.47525 -153289.31 282858.87 1277.5418 482000 343.21798 -153289.31 282858.87 1280.3124 483000 344.25116 -153289.31 282858.87 1284.1665 484000 342.72595 -153289.31 282858.87 1278.477 485000 342.71191 -153289.31 282858.87 1278.4246 486000 342.63593 -153289.31 282858.87 1278.1411 487000 343.91099 -153289.31 282858.87 1282.8975 488000 343.65558 -153289.31 282858.87 1281.9448 489000 343.1319 -153289.31 282858.87 1279.9913 490000 344.07626 -153289.31 282858.87 1283.514 491000 345.37951 -153289.3 282858.87 1288.3756 492000 344.7326 -153289.3 282858.87 1285.9624 493000 345.83617 -153289.3 282858.87 1290.0791 494000 344.7264 -153289.31 282858.87 1285.9393 495000 343.20339 -153289.31 282858.87 1280.258 496000 344.06836 -153289.31 282858.87 1283.4846 497000 344.90692 -153289.31 282858.87 1286.6127 498000 345.94376 -153289.31 282858.87 1290.4804 499000 345.0716 -153289.31 282858.87 1287.227 500000 346.82283 -153289.31 282858.87 1293.7596 501000 346.11212 -153289.31 282858.87 1291.1085 502000 347.16658 -153289.31 282858.87 1295.0419 503000 346.56913 -153289.31 282858.87 1292.8132 504000 345.64312 -153289.31 282858.87 1289.3589 505000 346.67117 -153289.31 282858.87 1293.1939 506000 345.33789 -153289.3 282858.87 1288.2203 507000 346.72371 -153289.3 282858.87 1293.3899 508000 347.25945 -153289.3 282858.87 1295.3884 509000 347.58863 -153289.3 282858.87 1296.6163 510000 346.57339 -153289.3 282858.87 1292.8291 511000 345.70683 -153289.3 282858.87 1289.5966 512000 346.18142 -153289.3 282858.87 1291.367 513000 348.08041 -153289.3 282858.87 1298.4508 514000 348.41465 -153289.3 282858.87 1299.6976 515000 348.31769 -153289.3 282858.87 1299.3359 516000 346.26726 -153289.3 282858.87 1291.6872 517000 347.80358 -153289.3 282858.87 1297.4181 518000 345.33458 -153289.3 282858.87 1288.208 519000 347.45142 -153289.3 282858.87 1296.1045 520000 348.15148 -153289.3 282858.87 1298.7159 521000 348.60111 -153289.3 282858.87 1300.3932 522000 347.98394 -153289.3 282858.87 1298.0909 523000 347.35285 -153289.31 282858.87 1295.7368 524000 350.21016 -153289.31 282858.87 1306.3954 525000 347.49481 -153289.31 282858.87 1296.2663 526000 350.27159 -153289.31 282858.87 1306.6246 527000 348.23065 -153289.3 282858.87 1299.0112 528000 349.74376 -153289.3 282858.87 1304.6556 529000 347.74515 -153289.31 282858.87 1297.2002 530000 350.94299 -153289.31 282858.87 1309.1291 531000 350.10512 -153289.31 282858.87 1306.0036 532000 350.26296 -153289.31 282858.87 1306.5924 533000 351.817 -153289.31 282858.87 1312.3895 534000 349.99468 -153289.31 282858.87 1305.5916 535000 351.22486 -153289.31 282858.87 1310.1806 536000 353.02202 -153289.31 282858.87 1316.8846 537000 352.80282 -153289.31 282858.87 1316.0669 538000 353.22051 -153289.31 282858.87 1317.625 539000 352.53004 -153289.31 282858.87 1315.0493 540000 351.70465 -153289.31 282858.87 1311.9704 541000 350.96101 -153289.31 282858.87 1309.1964 542000 353.48319 -153289.31 282858.87 1318.6049 543000 355.2155 -153289.32 282858.87 1325.067 544000 354.91578 -153289.32 282858.87 1323.9489 545000 353.28804 -153289.32 282858.87 1317.8769 546000 354.40501 -153289.32 282858.87 1322.0436 547000 352.9086 -153289.32 282858.87 1316.4615 548000 355.82606 -153289.32 282858.87 1327.3445 549000 355.77636 -153289.32 282858.87 1327.1591 550000 354.76752 -153289.32 282858.87 1323.3959 551000 354.2315 -153289.31 282858.87 1321.3963 552000 355.12257 -153289.31 282858.87 1324.7203 553000 355.82314 -153289.31 282858.87 1327.3336 554000 356.74452 -153289.31 282858.87 1330.7707 555000 355.92958 -153289.31 282858.87 1327.7307 556000 359.10275 -153289.31 282858.87 1339.5676 557000 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