| 3 | 1/1 | 返回列表 |
| 查看: 789 | 回復(fù): 2 | |||
湯圓喵銀蟲 (小有名氣)
|
[交流]
計(jì)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(jì)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)
銀蟲 (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] 304分材料專碩求調(diào)劑 +8 | qiuzhigril 2026-03-03 | 10/500 |
|
|---|---|---|---|---|
|
[考研] 281求調(diào)劑 +3 | Y?l?h 2026-03-04 | 3/150 |
|
|
[考研] 中國科學(xué)技術(shù)大學(xué)材料與化工281求調(diào)劑,有科研和獲獎(jiǎng)經(jīng)歷 +9 | wsxw 2026-03-02 | 10/500 |
|
|
[考研] 接收調(diào)劑 +15 | 津萌津萌 2026-03-02 | 23/1150 |
|
|
[考研] 298求調(diào)劑 +3 | 人間唯你是清歡 2026-03-03 | 4/200 |
|
|
[考研] 289求調(diào)劑 +7 | BrightLL 2026-03-02 | 9/450 |
|
|
[考研] 283求調(diào)劑 +9 | 鹿沫笙 2026-03-02 | 9/450 |
|
|
[考研] 0805總分292,求調(diào)劑 +12 | 幻想之殤 2026-03-01 | 12/600 |
|
|
[考研] 一志愿華中科技大學(xué),化學(xué)專業(yè)344分,求調(diào)劑 +6 | 邢xing1 2026-03-02 | 6/300 |
|
|
[考研] 材料學(xué)碩318求調(diào)劑 +15 | February_Feb 2026-03-01 | 17/850 |
|
|
[考研] 26考研報(bào)考西工大材料308分求調(diào)劑 +4 | weizhong123 2026-03-01 | 5/250 |
|
|
[考研] 材料類考研調(diào)劑 +6 | gemmgemm 2026-03-01 | 7/350 |
|
|
[考研] 考研復(fù)試調(diào)劑,過國家線的同學(xué)都可報(bào)名 +7 | 黑!在干嘛 2026-02-28 | 8/400 |
|
|
[考研] 338求調(diào)劑 +5 | 18162027187 2026-03-02 | 6/300 |
|
|
[考研] 化工京區(qū)271求調(diào)劑 +7 | 11ing 2026-03-02 | 7/350 |
|
|
[考研] 298求調(diào)劑 +10 | 人間唯你是清歡 2026-02-28 | 14/700 |
|
|
[考研] 285求調(diào)劑 +9 | 滿頭大汗的學(xué)生 2026-02-28 | 9/450 |
|
|
[考研] 材料學(xué)調(diào)劑 +10 | 提神豆沙包 2026-02-28 | 12/600 |
|
|
[考研] 272求調(diào)劑 +6 | 田智友 2026-02-28 | 6/300 |
|
|
[考博] 26申博 +4 | 想申博! 2026-02-26 | 6/300 |
|