| 查看: 654 | 回复: 0 | |||
Han19910102银虫 (初入文坛)
|
[求助]
stress------strain 曲线
|
|
做stress------strain 曲线 compute s all stress/atom这一步出错，求大神们给改一下 units metal boundary p s p atom_style atomic lattice fcc 3.61 orient x 1 0 0 orient y 0 1 1 orient z 0 -1 1 origin 0.5 0 0 region box block 0 10 0 10 0 5 create_box 3 box create_atoms 1 box pair_style eam pair_coeff * * Cu_u3.eam neighbor 0.3 bin neigh_modify every 5 delay 0 check yes region lower block INF INF INF 0.9 INF INF region upper block INF INF INF INF 8.9 INF group lower region lower group upper region upper group boundary union lower upper group mobile subtract all boundary set group lower type 2 set group upper type 3 velocity lower set 0.0 0.0 0.0 compute new3d mobile temp compute new2d mobile temp/partial 1 0 1 compute cna all cna/atom 3.0 compute s all stress/atom compute stressx all reduce sum c_stress compute stressy all reduce sum c_stress compute stressz all reduce sum c_stress # equilibrate velocity mobile create 300.0 85277 temp new3d fix 1 all nve fix 2 upper setforce 0.0 0.0 0.0 fix 4 lower setforce 0.0 0.0 0.0 fix 3 mobile temp/rescale 10 300.0 300.0 10.0 1.0 fix_modify 3 temp new3d thermo 50 thermo_modify temp new3d timestep 0.001 run 100 variable tmp equal "ly" variable L0 equal ${tmp} variable strain equal "(ly-v_L0)/ly" # shear velocity upper set 0 0.1 0 velocity mobile ramp vy 0 0.1 y 0.9 8.9 sum yes unfix 3 fix 3 mobile temp/rescale 10 300.0 300.0 10.0 1.0 fix_modify 3 temp new2d variable p1 equal "v_strain" variable p2 equal –{pzz/(3.165^3/2)}/10000 variable p3 equal –{pzz/(3.165^3/2)}/10000 variable p4 equal –{pzz/(3.165^3/2)}/10000 variable pm equal "" –{(pxx+pyy+pzz0/(3.165^3/2)}/10000 variable st equal "step" fix def1 all print 100 "${st} ${p1} ${pm} ${p2} ${p3} ${p4}" file tensile_d.txt screen no dump 1 all cfg 100 tensile_*.cfg mass type xs ys zs c_cna c_stress c_stress c_stress thermo 100 thermo_modify temp new2d reset_timestep 0 run 100000 |
回复此楼» 猜你喜欢
求标准粉末衍射卡号 ICDD 01-076-1802
已经有0人回复
-
新西兰Robinson研究所招收全奖PhD
已经有0人回复
-
物理学I论文润色/翻译怎么收费?
已经有261人回复
-
石墨烯转移--二氧化硅衬底石墨烯
已经有0人回复
-
笼目材料中量子自旋液体基态的证据
已经有0人回复
-
数学教学论硕士可以读数学物理博士吗？
已经有0人回复
-
德国亥姆霍兹Hereon中心汉堡分部招镁合金腐蚀裂变SCC课题方向2026公派博士生
已经有4人回复
-
澳门大学 应用物理及材料工程研究院 潘晖教授课题组诚招博士后
已经有11人回复
-
求助NH4V4O10晶体的CIF文件
已经有0人回复
-
英国全奖博士招聘-深度学习与量子物理
已经有0人回复
-
间接带隙半导体有效质量求助
已经有0人回复