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kbbb9ai银虫 (小有名气)
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[交流]
MS的forcite模块计算杨氏模量求助已有2人参与
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在做一个高聚物材料的杨氏模量计算，但是计算出来的结果小的可怜，材料真实杨氏模量为2.5Gpa，计算出的结果只有零点零几，图片附上参数设置和计算出来的刚性表，恳求各位老师帮忙看看问题出在哪里，先谢谢各位老师了 参数设置  计算结果 |
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kbbb9ai
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3楼2021-03-19 20:05:18
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2楼2021-03-14 16:11:41
kbbb9ai
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Forcite ------- Task : Mechanical Properties Version : 2018 Build date : Nov 21 2017 Host : localhost.localdomain Threads : Parallel 18 Operating system : linux Task started : Mon Mar 15 17:08:51 2021 ---- Mechanical properties parameters ---- Calculation method : Constant strain Number of strains : 6 Maximum strain : 3.000e-003 Pre-optimize structure : YES ---- Geometry optimization parameters ---- Algorithm : Smart Convergence tolerance: Energy : 2e-005 kcal/mol Force : 0.001 kcal/mol/A Stress : 0.001 GPa Displacement : 1e-005 A Maximum number of iterations : 1000 External pressure : 0 GPa Motion groups rigid : NO Optimize cell : NO ---- Energy parameters ---- Forcefield : COMPASS (Version 2.8) Charges : Forcefield assigned Electrostatic terms: Summation method : Ewald Accuracy : 0.0001 kcal/mol Buffer width : 0.5 A van der Waals terms: Summation method : Atom based Truncation method : Cubic spline Cutoff distance : 15.5 A Spline width : 1 A Long range correction : YES Buffer width : 0.5 A Energy contributors using automatic parameters: Bond Stretch : (o2e o2e) Angle Bend : (c3a o2e o2e) Torsion : (c3a o2e o2e c3a), (c3a c3a o2e o2e) ---- Geometry optimization ---- Energy units : kcal/mol Frame Converged Total Non-bond H-bond van der Waals Electrostatic 3-Body Diagonal Bond Angle Torsion Inversion Cross terms 1 No 12597.153 -3237.558 0.000 1070.820 -4297.728 0.000 18696.470 1505.426 678.518 16505.226 7.301 -2861.759 2 No 12428.673 -3459.637 0.000 868.495 -4317.054 0.000 18758.299 1511.841 681.593 16555.577 9.287 -2869.989 3 No 12181.749 -3737.291 0.000 590.638 -4316.602 0.000 18783.913 1509.308 683.576 16578.946 12.083 -2864.874 4 No 11926.650 -4000.744 0.000 355.140 -4344.306 0.000 18788.697 1508.029 690.029 16576.533 14.107 -2861.304 5 No 11729.432 -4227.427 0.000 130.532 -4346.133 0.000 18818.402 1507.643 690.803 16605.252 14.704 -2861.543 6 No 11605.433 -4360.121 0.000 -22.497 -4325.509 0.000 18825.732 1508.248 706.353 16595.598 15.533 -2860.177 7 No 11423.015 -4543.334 0.000 -158.718 -4372.125 0.000 18825.372 1507.882 700.825 16600.937 15.728 -2859.023 8 No 11279.289 -4712.905 0.000 -302.219 -4397.776 0.000 18850.386 1508.430 705.193 16618.769 17.995 -2858.191 9 No 11168.955 -4826.279 0.000 -416.381 -4396.417 0.000 18850.476 1506.557 707.736 16618.347 17.836 -2855.242 10 No 11022.287 -4978.102 0.000 -560.968 -4403.046 0.000 18855.842 1506.753 704.987 16626.227 17.876 -2855.454 11 No 10947.747 -5066.421 0.000 -658.193 -4393.649 0.000 18869.748 1507.896 706.855 16635.646 19.351 -2855.580 12 No 10848.806 -5175.808 0.000 -734.130 -4426.577 0.000 18882.104 1510.018 703.357 16649.562 19.167 -2857.491 13 No 10787.651 -5239.744 0.000 -802.082 -4422.022 0.000 18885.235 1509.596 708.387 16647.378 19.874 -2857.840 14 No 10726.966 -5308.868 0.000 -851.186 -4441.527 0.000 18891.797 1508.237 707.013 16656.261 20.286 -2855.963 15 No 10640.132 -5412.937 0.000 -919.047 -4476.955 0.000 18901.290 1504.770 714.816 16659.858 21.846 -2848.221 16 No 10606.973 -5446.945 0.000 -962.917 -4466.435 0.000 18907.783 1507.886 711.987 16663.926 23.984 -2853.864 17 No 10545.011 -5510.590 0.000 -1027.238 -4464.947 0.000 18911.162 1510.499 719.474 16658.578 22.611 -2855.561 18 No 10549.282 -5524.567 0.000 -1050.379 -4455.089 0.000 18924.374 1506.049 715.602 16675.981 26.742 -2850.525 19 No 10515.951 -5538.202 0.000 -1046.349 -4471.912 0.000 18904.807 1507.079 717.255 16658.302 22.171 -2850.654 20 No 10471.036 -5600.170 0.000 -1097.151 -4481.886 0.000 18923.505 1508.112 714.392 16678.235 22.766 -2852.299 21 No 10394.042 -5683.064 0.000 -1178.939 -4481.846 0.000 18930.856 1509.549 717.396 16681.460 22.451 -2853.750 22 No 10401.138 -5663.152 0.000 -1168.920 -4470.950 0.000 18919.055 1509.289 716.976 16671.772 21.018 -2854.764 23 No 10360.980 -5705.623 0.000 -1201.797 -4479.314 0.000 18919.897 1508.831 722.855 16665.920 22.291 -2853.294 24 No 10362.224 -5683.738 0.000 -1186.812 -4471.588 0.000 18907.608 1512.311 715.516 16658.969 20.811 -2861.645 25 No 10306.436 -5778.741 0.000 -1266.013 -4485.914 0.000 18935.697 1506.875 731.851 16673.159 23.812 -2850.520 26 No 10305.735 -5781.330 0.000 -1272.318 -4481.304 0.000 18938.311 1507.740 723.152 16681.775 25.644 -2851.246 27 No 10278.545 -5790.453 0.000 -1268.588 -4493.576 0.000 18921.223 1507.751 725.168 16664.116 24.188 -2852.224 28 No 10279.957 -5807.809 0.000 -1288.823 -4489.601 0.000 18941.927 1509.026 726.295 16681.696 24.910 -2854.161 29 No 10257.760 -5821.490 0.000 -1309.400 -4481.735 0.000 18929.713 1506.542 722.336 16674.828 26.008 -2850.463 30 No 10251.303 -5825.734 0.000 -1303.761 -4490.521 0.000 18928.628 1506.840 722.998 16673.687 25.103 -2851.591 31 No 10233.874 -5849.848 0.000 -1322.097 -4495.178 0.000 18936.753 1508.266 719.650 16684.105 24.733 -2853.032 32 No 10223.185 -5849.447 0.000 -1300.119 -4515.401 0.000 18927.632 1509.037 722.822 16673.790 21.984 -2855.000 33 No 10213.855 -5866.955 0.000 -1320.101 -4511.121 0.000 18934.950 1508.668 724.318 16679.983 21.980 -2854.139 34 No 10222.048 -5878.639 0.000 -1335.751 -4505.402 0.000 18952.895 1507.992 724.069 16695.975 24.858 -2852.208 35 No 10189.296 -5911.630 0.000 -1367.852 -4503.635 0.000 18955.189 1508.759 727.208 16694.773 24.448 -2854.263 36 No 10162.984 -5950.324 0.000 -1411.220 -4496.659 0.000 18965.895 1508.542 734.096 16696.392 26.865 -2852.588 37 No 10098.735 -6020.198 0.000 -1447.415 -4528.278 0.000 18972.968 1510.546 729.330 16706.803 26.290 -2854.035 38 No 10106.185 -5998.236 0.000 -1448.119 -4503.052 0.000 18960.278 1510.639 728.398 16694.902 26.340 -2855.857 39 No 10066.939 -6061.055 0.000 -1497.913 -4512.512 0.000 18982.787 1511.151 732.553 16711.054 28.028 -2854.793 40 No 10064.208 -6035.572 0.000 -1472.065 -4510.612 0.000 18955.456 1511.697 727.074 16690.676 26.009 -2855.676 41 No 10038.657 -6078.190 0.000 -1517.640 -4504.972 0.000 18972.032 1511.404 734.648 16698.533 27.446 -2855.186 42 No 9975.572 -6140.366 0.000 -1570.961 -4510.033 0.000 18966.981 1507.924 727.386 16704.928 26.742 -2851.043 43 No 9976.820 -6159.458 0.000 -1573.825 -4521.319 0.000 18994.689 1512.463 730.019 16725.592 26.615 -2858.410 ---- Mechanical properties ---- Independent elastic constants i j Cij (GPa) Error (GPa) 1 1 -0.0585 (+/- 0.0753) 1 2 0.1223 (+/- 0.0905) 1 3 0.0122 (+/- 0.0887) 1 4 0.0142 (+/- 0.0884) 1 5 0.0674 (+/- 0.0640) 1 6 -0.0654 (+/- 0.0583) 2 2 0.1317 (+/- 0.1203) 2 3 0.1068 (+/- 0.1145) 2 4 0.1001 (+/- 0.1100) 2 5 0.1093 (+/- 0.0783) 2 6 0.0203 (+/- 0.0705) 3 3 0.2749 (+/- 0.1123) 3 4 0.0291 (+/- 0.1083) 3 5 0.1546 (+/- 0.0769) 3 6 0.0455 (+/- 0.0685) 4 4 0.3517 (+/- 0.1140) 4 5 0.0284 (+/- 0.0749) 4 6 0.0917 (+/- 0.0662) 5 5 0.2369 (+/- 0.0640) 5 6 -0.0385 (+/- 0.0527) 6 6 -0.0351 (+/- 0.0599) Elastic stiffness constants Cij (GPa), Stress-i = Cij*Strain-j. -0.0585 0.1223 0.0122 0.0142 0.0674 -0.0654 0.1223 0.1317 0.1068 0.1001 0.1093 0.0203 0.0122 0.1068 0.2749 0.0291 0.1546 0.0455 0.0142 0.1001 0.0291 0.3517 0.0284 0.0917 0.0674 0.1093 0.1546 0.0284 0.2369 -0.0385 -0.0654 0.0203 0.0455 0.0917 -0.0385 -0.0351 Elastic compliance constants Sij (1/TPa), Strain-i = Sij*Stress-j. -4291.0018 7654.6438 -3048.8885 -2318.2046 293.7224 2083.3073 7654.6438 5096.6728 1799.0517 -498.9792 -6207.3845 -3484.7890 -3048.8885 1799.0517 2688.3975 -2014.9825 -572.6148 5564.6051 -2318.2046 -498.9792 -2014.9825 2027.2977 2589.4290 3871.3794 293.7224 -6207.3845 -572.6148 2589.4290 6259.1846 -4962.3819 2083.3073 -3484.7890 5564.6051 3871.3794 -4962.3819 -11601.9292 Reuss Voigt Hill Bulk modulus (GPa) = 0.0613 0.0923 0.0768 Shear modulus (GPa) = 0.0000 0.1178 0.0589 Compressibility (1/TPa) = 16303.6825 Young Modulus (GPa) Poisson Ratios X = -0.2330 Exy = 1.7839 Exz = -0.7105 Y = 0.1962 Eyx = -1.5019 Eyz = -0.3530 Z = 0.3720 Ezx = 1.1341 Ezy = -0.6692 Velocities of sound (Km/s) X1 = 0.6787 X2 = 0.0878 X3 = 1.0195 Y1 = 0.4716 Y2 = 0.6129 Y3 = 1.2780 Z1 = 0.6317 Z2 = 1.1490 Z3 = 1.3123 Lame constants (GPa) (assuming material is isotropic) Lambda = -0.2530 Mu = 0.1845 Task terminated : Wed Mar 17 07:51:36 2021 Total CPU time used by Forcite: 38:42:37 hours (139357s) Termination status : Normal |
4楼2021-03-19 20:06:42
kbbb9ai
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5楼2021-03-19 20:07:33
