| 13 | 1/1 | 返回列表 |
| 查看: 2570 | 回復(fù): 12 | |||
[交流]
有人做裂紋模擬的嗎?看看我這個(gè)裂紋的in文件有什么問題
|
|
# 3d Morse crack simulation units metal boundary s s p atom_style atomic # create geometry lattice fcc 4.05 orient x 1 0 0 orient y 0 1 0 orient z 0 0 1 region box block 0 60 0 40 -0.25 0.25 create_box 5 box create_atoms 1 box mass 1 1.0 mass 2 1.0 mass 3 1.0 mass 4 1.0 mass 5 1.0 # Morse potentials pair_style morse 2.5 pair_coeff * * 1.0 1.0 2.5 neighbor 0.3 bin neigh_modify every 5 delay 0 check yes # define groups region 1 block INF INF INF 2 INF INF group lower region 1 region 2 block INF INF 38 INF INF INF group upper region 2 group boundary union lower upper group mobile subtract all boundary region leftupper block INF 20 20 INF INF INF region leftlower block INF 20 INF 20 INF INF region bonds block INF 20 19.75 20.25 -0.25 0.25 delete_atoms region bonds group leftupper region leftupper group leftlower region leftlower group halfupper1 region halfupper1 group halfupper2 region halfupper2 set group leftupper type 3 set group leftlower type 4 set group lower type 1 set group upper type 2 neigh_modify exclude type 3 4 neigh_modify exclude type 1 2 # 能量最小化 min_style sd minimize 1.0e-12 1.0e-12 10000 10000 # initial velocities 弛豫 compute new mobile temp velocity mobile create 0.001 887723 temp new timestep 0.001 thermo 200 run 10000 velocity upper set 0.0 0.01 0.0 velocity lower set 0.0 -0.01 0.0 velocity mobile ramp vy 0.01 0.01 y 20 38 sum yes # fixes fix 1 all nve fix 2 lower setforce 0.0 NULL 0.0 fix 3 upper setforce 0.0 NULL 0.0 # run thermo 200 thermo_modify temp new dump 1 all atom 1000 dump.crack.lammpstrj run 300000 |
» 搶金幣啦!回帖就可以得到:
+3/1685
+1/83
+1/83
+2/70
+2/50
+2/48
+1/46
+1/45
+1/38
+1/34
+2/34
+1/33
+1/32
+1/14
+1/10
+1/9
+1/4
+1/3
+1/3
+1/1
榮譽(yù)版主 (職業(yè)作家)
|
# 3d Morse crack simulation units metal boundary s s p atom_style atomic # create geometry lattice fcc 4.05 orient x 1 0 0 orient y 0 1 0 orient z 0 0 1 region box block 0 60 0 40 -0.25 0.25 create_box 5 box create_atoms 1 box mass 1 1.0 mass 2 1.0 mass 3 1.0 mass 4 1.0 mass 5 1.0 # Morse potentials pair_style morse 2.5 pair_coeff * * 1.0 1.0 2.5 neighbor 0.3 bin neigh_modify every 5 delay 0 check yes # define groups region 1 block INF INF INF 2 INF INF group lower region 1 region 2 block INF INF 38 INF INF INF group upper region 2 group boundary union lower upper group mobile subtract all boundary region leftupper block INF 20 20 INF INF INF region leftlower block INF 20 INF 20 INF INF region bonds block INF 20 19.75 20.25 -0.25 0.25 delete_atoms region bonds group leftupper region leftupper group leftlower region leftlower group halfupper1 region halfupper1 group halfupper2 region halfupper2 set group leftupper type 3 set group leftlower type 4 set group lower type 1 set group upper type 2 neigh_modify exclude type 3 4 neigh_modify exclude type 1 2 # 能量最小化 min_style sd minimize 1.0e-12 1.0e-12 10000 10000 # initial velocities 弛豫 compute new mobile temp velocity mobile create 0.001 887723 temp new timestep 0.001 thermo 200 run 10000 velocity upper set 0.0 0.01 0.0 velocity lower set 0.0 -0.01 0.0 velocity mobile ramp vy 0.01 0.01 y 20 38 sum yes # fixes fix 1 all nve fix 2 lower setforce 0.0 NULL 0.0 fix 3 upper setforce 0.0 NULL 0.0 # run thermo 200 thermo_modify temp new dump 1 all atom 1000 dump.crack.lammpstrj run 300000 |
禁蟲 (初入文壇)
|
本帖內(nèi)容被屏蔽 |
| 13 | 1/1 | 返回列表 |
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[考研] 材料求調(diào)劑 一志愿哈工大總分298分,前三科223分 +5 | dongfang59 2026-03-27 | 5/250 |
|
|---|---|---|---|---|
|
[考研] 求調(diào)劑 +4 | 零八# 2026-03-27 | 4/200 |
|
|
[考研] 一志愿北化085600材料專碩275|有文章專利|求調(diào)劑 +3 | Micky11223 2026-03-25 | 3/150 |
|
|
[考研] 考研調(diào)劑 +9 | 小蠟新筆 2026-03-26 | 9/450 |
|
|
[考研] 一志愿吉大071010,316分求調(diào)劑 +3 | xgbiknn 2026-03-27 | 3/150 |
|
|
[考研] 276求調(diào)劑。有半年電池和半年高分子實(shí)習(xí)經(jīng)歷 +10 | 材料學(xué)257求調(diào)劑 2026-03-23 | 11/550 |
|
|
[考研] 材料調(diào)劑 +8 | 匹克i 2026-03-23 | 8/400 |
|
|
[考研] 071000生物學(xué)求調(diào)劑,初試成績(jī)343 +6 | 小小甜面團(tuán) 2026-03-25 | 6/300 |
|
|
[考研] 329求調(diào)劑 +5 | 1() 2026-03-22 | 5/250 |
|
|
[考研] 324求調(diào)劑 +4 | wysyjs25 2026-03-21 | 4/200 |
|
|
[考研] 【雙一流院校新能源、環(huán)境材料,材料加工與模擬招收大量調(diào)劑】 +4 | Higraduate 2026-03-22 | 8/400 |
|
|
[考研] 生物學(xué) 296 求調(diào)劑 +4 | 朵朵- 2026-03-26 | 6/300 |
|
|
[考研] 中國(guó)科學(xué)院深圳先進(jìn)技術(shù)研究院-光纖傳感課題組招生-中國(guó)科學(xué)院大學(xué)、深圳理工大學(xué)聯(lián)培 +5 | YangTyu1 2026-03-26 | 5/250 |
|
|
[考研] 總分293求調(diào)劑 +6 | 加一一九 2026-03-25 | 8/400 |
|
|
[考研] 一志愿哈工大,085400,320,求調(diào)劑 +4 | gdlf9999 2026-03-24 | 4/200 |
|
|
[考研] 一志愿中南大學(xué)化學(xué)學(xué)碩0703總分337求調(diào)劑 +7 | niko- 2026-03-22 | 7/350 |
|
|
[考研] 307求調(diào)劑 +3 | 余意卿 2026-03-21 | 6/300 |
|
|
[考研] 335求調(diào)劑 +4 | yuyu宇 2026-03-23 | 5/250 |
|
|
[考研] 275求調(diào)劑 +6 | shansx 2026-03-22 | 8/400 |
|
|
[考研] 求調(diào)劑 +4 | 要好好無聊 2026-03-21 | 4/200 |
|