²é¿´: 577  |  »Ø¸´: 1

yyfdemajia

½ð³æ (ÕýʽдÊÖ)

[ÇóÖú] lammps Á÷ówÖÐÒÆ„ӵĆ–î} ÒÑÓÐ1È˲ÎÓë

ÎÒ„‚½ÓÓ|lammps°ë‚€Ô£¬ÏëҪģ”M¿×ÔÚÁ÷ów×÷ÓÃϼôÇÐÅòÛµÄß^³Ì£¬Í¨ß^ƒÉ‰KƽÐеĹÌówÆ½ÃæµÄ´¹Ö±ÒÆ„Ó?íÄ£”M¿×µÄÅòÛß^³Ì¡£ÎÒ…¢¿¼ÁËlammpsÖÐcouette flow µÄÀý×Ó£¬ÔOÖÃÁËÒÆ„ÓµÄËÙ¶È£¬†–î}ÊÇßMÐÐÄ£”M•r£¬ÉÏÆ½Ãæ…sŸo·¨ÒƄӡ£ÎÒ°ÑlammpsµÄ´ú´aÙNÔÚÏÂÃæ£¬Õˆ†–ÎÒÊÇÄÄÑY³ö¬FµÄ†–î}£¿£¿£¿

boundary  p p p
dimension  3
units  lj

atom_style  atomic
lattice fcc 1.6
region box block 0 16 1 13.8 0 16.8

create_box 2 box

region   upper block 10 11.6 1 13.8 2 14.8
region   lower block 4.4 6 1 13.8 2 14.8

#create_atoms 1 random 80 1 box
create_atoms 1 region box
delete_atoms region upper
delete_atoms region lower
create_atoms 2 region upper
create_atoms 2 region lower

group  upper region upper
group  lower region lower
group  mobile region box
group  solid union lower upper
group  fluid subtract all solid

pair_style   lj/cut 3.5
pair_coeff   * * 1 1 3.5

mass   1 1.0
mass   2 1.0

set group upper type 2
set group lower type 2
set group fluid type 1

compute             mobile fluid temp
velocity     fluid create 1.0 482748 temp mobile
velocity     lower set 0.0 0.0 0.0
velocity     upper set 2.0 0.0 0.0


fix 1 fluid gcmc 1 10 11440 1 1234 1 -2.5 0.01
#fix 2 upper move linear NULL NULL NULL
#fix 3 lower move linear NULL NULL NULL
#fix 4 solid rigid/nvt group 2 upper lower temp 1 1 0.1

thermo 10
thermo_style multi temp etotal ethalpy
compute 11 upper stress/atom NULL

minimize 0.0 1.0e-8 1000 100000
dump box all xyz 1 sample.xyz

timestep        0.01
run                300

дºÓä¿ì¡«
»Ø¸´´ËÂ¥
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

abinitio

°æÖ÷ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
ÔÂÖ»À¶: ½ð±Ò+10, ¹ÄÀø½»Á÷£¡´º½Ú¿ìÀÖ£¡ 2015-02-19 23:30:00
yyfdemajia(ÔÂÖ»À¶´ú·¢): ½ð±Ò+5, ¸Ðлָµ¼ 2015-02-20 09:14:39
ÊDz»ÊÇboundary³öÁËÎÊÌ⣿°Ñz·½ÏòÉϸÄΪ·ÇÖÜÆÚÐԱ߽çÌõ¼þs£¬ÈçºÎ£¿Ð´º¿ìÀÖ£¡

[ ·¢×ÔСľ³æ¿Í»§¶Ë ]
2Â¥2015-02-19 20:10:12
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ yyfdemajia µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 071000ÉúÎïѧÇóµ÷¼Á£¬³õÊԳɼ¨343 +3 ССÌðÃæÍÅ 2026-03-25 3/150 2026-03-26 19:24 by macy2011
[¿¼ÑÐ] 0703»¯Ñ§338Çóµ÷¼Á£¡ +4 Zuhui0306 2026-03-26 4/200 2026-03-26 19:07 by macy2011
[¿¼ÑÐ] ²ÄÁÏ¿ÆÑ§Ó빤³Ì 317Çóµ÷¼Á +4 JKSOIID 2026-03-26 4/200 2026-03-26 15:58 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] ²ÄÁÏѧ˶297ÒѹýËÄÁù¼¶Çóµ÷¼ÁÍÆ¼ö +13 adaie 2026-03-19 13/650 2026-03-26 14:05 by ССÂóƬ
[¿¼ÑÐ] 263Çóµ÷¼Á +6 yqdszhdap£­ 2026-03-22 10/500 2026-03-26 13:11 by ¹«èªåÐÒ£
[¿¼ÑÐ] 085600 ²ÄÁÏÓ뻯¹¤ 329·ÖÇóµ÷¼Á +9 Mr. Z 2026-03-25 9/450 2026-03-26 10:36 by baoball
[¿¼ÑÐ] ²ÄÁÏר˶ 335 ·ÖÇóµ÷¼Á +4 ¾Ü¾øÀ䱩Á¦ 2026-03-25 4/200 2026-03-25 18:45 by haxia
[¿¼ÑÐ] 26¿¼ÑÐ-291·Ö-ÏÃÃÅ´óѧ£¨085601£©-ÈáÐÔµç×ÓѧԺ²ÄÁϹ¤³ÌרҵÇóµ÷¼Á +3 min3 2026-03-24 4/200 2026-03-25 18:22 by xcjcqu
[¿¼ÑÐ] 0854AI CV·½ÏòÕÐÊÕµ÷¼Á +4 ÕÂСÓã567 2026-03-23 4/200 2026-03-25 17:04 by CoderLoser
[¿¼ÑÐ] 289²ÄÁÏÓ뻯¹¤£¨085600£©BÇøÇóµ÷¼Á +4 ÕâôÃû×ÖÕ¦Ñù 2026-03-22 5/250 2026-03-25 08:20 by mx.yue
[¿¼ÑÐ] µ÷¼Á +4 13853210211 2026-03-24 4/200 2026-03-24 19:44 by ms629
[¿¼ÑÐ] 085404µç×ÓÐÅÏ¢284·ÖÇóµ÷¼Á +4 13659058978 2026-03-24 4/200 2026-03-24 12:15 by syl20081243
[¿¼ÑÐ] »·¾³Ñ§Ë¶288Çóµ÷¼Á +8 ƤƤƤ123456 2026-03-22 8/400 2026-03-23 23:47 by ÈÈÇéɳĮ
[¿¼ÑÐ] 361Çóµ÷¼Á +3 Glack 2026-03-22 3/150 2026-03-23 22:03 by fuyu_
[¿¼ÑÐ] 333Çóµ÷¼Á +3 ALULU4408 2026-03-23 3/150 2026-03-23 19:04 by macy2011
[¿¼ÑÐ] ½ÓÊÕ2026˶ʿµ÷¼Á(ѧ˶+ר˶) +4 allen-yin 2026-03-23 6/300 2026-03-23 15:04 by Íô£¡£¿£¡
[¿¼ÑÐ] 319Çóµ÷¼Á +4 СÁ¦Æøçæçæ 2026-03-20 4/200 2026-03-22 15:53 by ColorlessPI
[¿¼ÑÐ] 275Çóµ÷¼Á +6 shansx 2026-03-22 8/400 2026-03-22 15:27 by barlinike
[¿¼ÑÐ] Ò»Ö¾Ô¸¶«»ª´óѧ¿ØÖÆÑ§Ë¶320Çóµ÷¼Á +3 Grand777 2026-03-21 3/150 2026-03-21 19:23 by ¼òÖ®-
[¿¼ÑÐ] Äϲý´óѧ²ÄÁÏר˶311·ÖÇóµ÷¼Á +6 77chaselx 2026-03-20 6/300 2026-03-21 07:24 by JourneyLucky
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û