Znn3bq.jpeg
²é¿´: 2289  |  »Ø¸´: 3
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

cmhrbeu

Í­³æ (³õÈëÎÄ̳)

[ÇóÖú] lammps³ÚÔ¥½×¶ÎÒ»Ö±ÎÞ·¨ÔÚÉ趨µÄζÈÉÏϲ¨¶¯£¬²ÄÁϵķøÕÕËðÉË

# 3d UO2 crash simulation

units metal
dimension        3
boundary        p p p
atom_style        charge
read_data uo2.lammps

# hybrid/overlay born/coul/long potentials

group u type 1
group o type 2
set group o charge -1.1104
set group u charge 2.2208
pair_style hybrid/overlay born/coul/long 10.4 morse 10.4
pair_coeff 1 1 born/coul/long 187.03 0.3422 0 0 0
pair_coeff 1 2 born/coul/long 432.18 0.3422 0 0 0
pair_coeff 2 2 born/coul/long 883.12 0.3422 0 3.996 0

pair_coeff 1 2 morse 0.5055 1.864 2.378

kspace_style pppm 1e-4

# fixes

min_style sd
minimize 1.0e-6 1.0e-6 10000 10000
velocity all create 500.0  50000 rot yes dist gaussian
fix         1 all nvt temp 300.0 300.0 3.0 drag 1

# run

timestep        0.001
thermo                100
thermo_style custom step temp pe ke

#neigh_modify         every 1 delay 0 check yes page 10000

compute    1 all pe/atom
compute    2 all ke/atom
dump                1 all custom 1000 cm.crash id type x y z c_1 c_2

run                50000

unfix 1
write_restart cm.rs

ÒÔÉÏÊÇinÎļþ£¬É趨µÄζÈÊÇ300K
СµÜ³õѧlammps£¬±ÏÒµÉè¼Æ½øÐÐÖУ¬Íû´óÉñ¸øÁ¦¡£

lammps³ÚÔ¥½×¶ÎÒ»Ö±ÎÞ·¨ÔÚÉ趨µÄζÈÉÏϲ¨¶¯£¬²ÄÁϵķøÕÕËðÉË
lammps.jpg
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

¿ÆÑм¼ÇÉ

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

feng0603

гæ (СÓÐÃûÆø)

¿ÉÒÔÒ»·ÝinÎļþѧϰһÏÂÂð£¿Ð»Ð»£¡
3Â¥2016-10-22 14:57:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 4 ¸ö»Ø´ð

djl315

Í­³æ (СÓÐÃûÆø)

ÕâÊDZ¾¿Æ±ÏÒµÉè¼ÆÂ𣿺ÃÇ¿
4Â¥2017-01-05 09:12:48
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 288Çóµ÷¼Á£¬Ò»Ö¾Ô¸»ªÄÏÀí¹¤´óѧ071005 +19 ioodiiij 2026-04-08 19/950 2026-04-13 13:03 by ·çÓêÎÞÇç
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϿƴóÉúÎïѧ297·Ö£¬Çóµ÷¼ÁÍÆ¼ö +10 Y-yyusx 2026-04-06 11/550 2026-04-13 09:30 by mfyue2000
[¿¼ÑÐ] 0854µ÷¼Á +12 ³¤¹­°Á 2026-04-09 13/650 2026-04-12 09:56 by ÄæË®³Ë·ç
[¿¼ÑÐ] 316Çóµ÷¼Á +5 Ïë¶ÁÑо¿Éú( ?¡ß 2026-04-07 5/250 2026-04-12 00:43 by À¶ÔÆË¼Óê
[¿¼ÑÐ] µ÷¼Á +10 Ö»ÐðÀë±ð´Ç 2026-04-09 12/600 2026-04-11 20:57 by ÄæË®³Ë·ç
[¿¼ÑÐ] 296Çóµ÷¼Á +14 Íô£¡£¿£¡ 2026-04-08 15/750 2026-04-11 20:28 by dongdian1
[¿¼ÑÐ] µ÷¼Á +5 ÎĵÀÐÇ̨ 2026-04-11 5/250 2026-04-11 15:01 by ¿­¿­Òª±ä˧
[¿¼ÑÐ] 346£¬¹¤¿ÆÇóµ÷¼Á +3 moser233 2026-04-09 3/150 2026-04-11 10:04 by zhq0425
[¿¼ÑÐ] 311Çóµ÷¼Á +13 xypÏë¶ÁÊé 2026-04-10 14/700 2026-04-11 09:41 by Öí»á·É
[¿¼ÑÐ] Ò»Ö¾Ô¸¶«±±´óѧ¿ØÖƹ¤³Ì085406Êý¶þÓ¢¶þ385£¬Çóµ÷¼Á +8 Ezra_Zhang 2026-04-09 8/400 2026-04-11 09:15 by Öí»á·É
[¿¼ÑÐ] ²ÄÁÏÀà284µ÷¼Á +40 Ïë»»ÊÖ»ú²»Ïë½âÊ 2026-04-08 48/2400 2026-04-10 23:28 by 314126402
[¿¼ÑÐ] 368Çóµ÷¼Á +3 17385968172 2026-04-10 3/150 2026-04-10 20:12 by µç×Ӱµ±ë
[¿¼ÑÐ] 273Çóµ÷¼Á +51 ÂóС¶£µ± 2026-04-06 58/2900 2026-04-10 15:54 by jiajinhpu
[¿¼ÑÐ] Ò»Ö¾Ô¸»¦9£¬326ÉúÎïѧÇóÏà¹Ø×¨Òµµ÷¼Á +4 Áõīī 2026-04-09 4/200 2026-04-10 12:07 by pengliang8036
[¿¼ÑÐ] 347²ÄÁÏר˶Çóµ÷¼Á +19 zj8215216 2026-04-06 19/950 2026-04-10 09:36 by 690616278
[¿¼ÑÐ] ³õÊÔ·Ö332£¬Ò»Ö¾Ô¸±¨¿¼Î÷±±¹¤Òµ´óѧ£¬ +11 ¹ÊÈË?? 2026-04-09 11/550 2026-04-09 21:54 by JineShine
[¿¼ÑÐ] Çóµ÷¼Á +13 Æâluck 2026-04-07 13/650 2026-04-08 22:46 by Öí»á·É
[¿¼ÑÐ] Ò»Ö¾Ô¸»ª¶«Àí¹¤085601²ÄÁϹ¤³Ì303·ÖÇóµ÷¼Á +15 a1708 2026-04-06 15/750 2026-04-08 16:23 by luoyongfeng
[¿¼ÑÐ] 11408 325·Ö +3 jgtxuxgkx 2026-04-07 3/150 2026-04-07 23:10 by lbsjt
[¿¼ÑÐ] 22408 331·ÖÇóµ÷¼Á +4 y__1 2026-04-06 4/200 2026-04-06 17:26 by ÍÁľ˶ʿÕÐÉú
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û