| 3 | 1/1 | 返回列表 |
| 查看: 788 | 回復(fù): 2 | |||
[交流]
計算出來的石墨烯彈性模量比理論值偏小 已有1人參與
|
| 大家好,我使用velocity來拉伸石墨烯,然后根據(jù)應(yīng)力應(yīng)變曲線計算出來的彈性模量只有150GPa左右,請問大家遇到過這種問題嗎? |
新蟲 (小有名氣)
|
你好!下面是我的腳本 # ------------------------ initialization ---------------------------- units metal boundary s s p atom_style full # ----------------- atom definition and force fields ----------------- read_data data.0429graphene pair_style airebo 3.0 pair_coeff * * ch.airebo c region upper block inf inf 77 inf inf inf units box region lower block inf inf inf -26 inf inf units box group upper region upper group lower region lower group boundary union lower upper group middle subtract all boundary variable yc equal ly variable l0 equal ${yc} variable strain equal "(ly - v_l0)/v_l0" variable strain1 equal "v_strain" variable stressz equal "-pyy/10000" # ----------------------------settings ------------------------------- timestep 0.001 thermo_style custom step time etotal pe ke temp lx ly lz press pxx pyy pzz density velocity middle create 298.15 53244 dist gaussian mom yes rot yes fix s1 boundary setforce 0 0 0 minimize 1.0e-10 1.0e-10 5000 10000 thermo 1 fix 222 all npt temp 298.15 298.15 1 z 0 0 0.1 dump 1 all atom 100 relax.g run 1000 unfix 222 undump 1 reset_timestep 0 velocity upper set 0.0 1 0.0 velocity middle ramp vy 0.0 1 y -26 77 sum yes fix 666 all nvt temp 298.15 298.15 0.001 thermo 1 thermo_modify lost ignore dump 888 all atom 100 tension.g run 150000 |
| 3 | 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328求調(diào)劑 +6 | 一個蘿卜02 2026-03-03 | 6/300 |
|
|---|---|---|---|---|
|
[考研] 295求調(diào)劑 +5 | 等春來, 2026-03-04 | 5/250 |
|
|
[考研] 化學(xué) 0703求調(diào)劑 總分293 一志愿211 +7 | 土土小蟲 2026-03-03 | 7/350 |
|
|
[考博] 26申博 +5 | north, 2026-02-28 | 5/250 |
|
|
[考研] 289求調(diào)劑 +8 | yang婷 2026-03-02 | 10/500 |
|
|
[考研] 環(huán)境工程學(xué)碩288求助調(diào)劑 +7 | 多吃億口芝士 2026-03-02 | 7/350 |
|
|
[考研] 085600材料與化工調(diào)劑 280分 +10 | yyqqhh 2026-03-03 | 10/500 |
|
|
[考研] 085600材料與化工 298 調(diào)劑 +3 | 小西笑嘻嘻 2026-03-03 | 3/150 |
|
|
[考研] 環(huán)境調(diào)劑 +5 | 柒槿levana 2026-03-01 | 5/250 |
|
|
[考研] 268求調(diào)劑 +10 | 簡單點0 2026-03-02 | 14/700 |
|
|
[考研] 281電子信息求調(diào)劑 +3 | jhtfeybgj 2026-03-02 | 6/300 |
|
|
[考研]
材料工程專碩283求調(diào)劑
5+8
|
,? 2026-03-02 | 10/500 |
|
|
[考研] 324求調(diào)劑 +4 | wxz2 2026-03-03 | 5/250 |
|
|
[考研] 化工京區(qū)271求調(diào)劑 +7 | 11ing 2026-03-02 | 7/350 |
|
|
[考研] 288求調(diào)劑 +3 | 少71.8 2026-03-02 | 5/250 |
|
|
[考研] 材料化工調(diào)劑 +13 | 今夏不夏 2026-03-01 | 16/800 |
|
|
[考研] 材料工程274求調(diào)劑 +5 | Lilithan 2026-03-01 | 5/250 |
|
|
[考研] 261求調(diào)劑 +3 | 陸lh 2026-03-01 | 3/150 |
|
|
[考研] 275求調(diào)劑 +3 | L-xin? 2026-03-01 | 6/300 |
|
|
[考研] 311求調(diào)劑 +9 | 南迦720 2026-02-28 | 10/500 |
|