| ²é¿´: 2245 | »Ø¸´: 1 | ||
ɽ½§ÇåȪHCгæ (³õÈëÎÄ̳)
|
[ÇóÖú]
BNÈçºÎ½¨Ä£
|
|
ÈçºÎÓÃlammps½¨Á¢Áù·½½á¹¹µÄµª»¯Åð£¨h-BN)µÄÄ£ÐÍ£¿Ë³±ã°ïæ¿´Ò»ÏÂÎÒÕâÑù½¨Ä£µÄÎÊÌâ¡£¸½¼þÊÇh-BNµÄ¾§Ìå½á¹¹¡£ # ------------------------ INITIALIZATION ---------------------------- units metal#µ¥Î»£¿ dimension 3 boundary p p p atom_style atomic #neighbor 2.0 bin #neigh_modify one 5 lattice hcp 2.5 # ----------------------- ATOM DEFINITION ---------------------------- lattice custom 2.5 a1 0.23 0.0 0.0 a2 0.0 0.39 0.0 a3 0.0 0.0 0.38 & basis 0.5 0.0 0.0 basis 0.0 0.5 0.0 basis 0.5 0.0 0.5 & basis 0.0 0.5 0.5 region whole block 0 5 0 5 0 5 create_box 2 whole create_atoms 2 box basis 1 1 basis 2 2 basis 3 1 basis 4 2 # ------------------------ FORCE FIELDS ------------------------------ # Tersoff Potentials pair_style tersoff pair_coeff * * BNC.tersoff B N mass 1 10 mass 2 14 ###################################### write_data data.BN # EQUILIBRATION reset_timestep 0 timestep 0.001 velocity all create 300 12345 mom yes rot no fix 1 all npt temp 300 300 1 iso 0 0 1 drag 1 # Use cfg for Ovito #dump 1 all custom 10 dump.comp.* id type xs ys zs c_csym c_eng c_strs[1]& c_strs[2] c_strs[3] #dump_modify 1 element B N # Set thermo output thermo 1000 thermo_style custom step lx ly lz press pxx pyy pzz pe temp # Run for at least 10 picosecond (assuming 1 fs timestep) run 20000 unfix 1 # Store final cell length for strain calculations variable tmp equal "lx" variable L0 equal ${tmp} print "Initial Length, L0: ${L0}" ###################################### # SIMULATION DONE print "All done" 75X]CK@5]Y8QCUUYZ)W@KBO.png |
» ²ÂÄãϲ»¶
¼ÃÄÏ´óѧ¹ú¼ÒÓÅÇà¿ÎÌâ×é 2026 µ÷¼ÁÕÐÉúÀ´À²
ÒѾÓÐ0È˻ظ´
Î人·ÄÖ¯´óѧ_»¯Ñ§Ôº¹Ù·½µ÷¼ÁȺ-ԺʿÍŶÓÕÐÉú-ѧÉú×ÔÓɶȸ߷¢Õ¹ºÃ-»¶Ó¸÷λͬѧ
ÒѾÓÐ0È˻ظ´
ÎÞ»ú»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ103È˻ظ´
Î÷»ª´óѧ »¯Ñ§ µ÷¼ÁÓÐÃû¶î
ÒѾÓÐ0È˻ظ´
ÉϺ£Ó¦Óü¼Êõ´óѧÕÐÉúµ÷¼ÁÑо¿Éú
ÒѾÓÐ8È˻ظ´
ÄϾ©ÏþׯѧԺÂÌÉ«ÄÜÔ´²ÄÁÏÍŶÓÕÐÉú
ÒѾÓÐ0È˻ظ´
ÄϾ©ÏþׯѧԺÂÌÉ«ÄÜÔ´²ÄÁÏÍŶÓÕÐÉú
ÒѾÓÐ0È˻ظ´
±±·½¹¤Òµ´óѧ´¢Äܼ¼Êõ-02µç»¯Ñ§´¢ÄÜÓëÇâÄÜ·½ÏòÕÐÊÕ2026¼¶¶þ´Îµ÷¼ÁѧÉú
ÒѾÓÐ0È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
µ¥²ã¶þÁò»¯îâµÃµ½·ÇÖ±½Ó´øÏ¶
ÒѾÓÐ26È˻ظ´
ÈçºÎʵÏÖ¸ÃÎÄÏ×ÖÐTiO2(101)ÄÉÃ׹ܵĽ¨Ä£
ÒѾÓÐ13È˻ظ´
MS½¨Ä£Ê±¶ÔÄ£ÐͽṹÓÅ»¯µÄÄ¿µÄÒÔ¼°²ÎÊýÈçºÎÉèÖÃ
ÒѾÓÐ5È˻ظ´
ÇóÖúÁ´Ìõ¯´²²ã½¨Ä£ÖЯÅÅתËÙÈçºÎ½¨Ä£ÎÊÌ⣿
ÒѾÓÐ9È˻ظ´
ÇóÖúlammps¾§½ç½¨Ä£ÈçºÎ±£³ÖboxµÄÖÜÆÚÐÔ~~
ÒѾÓÐ11È˻ظ´
Ansys ½¨Ä£ ÈçºÎ»ÍÖÔ²£¿
ÒѾÓÐ8È˻ظ´
¹ØÓÚvasp³¬°ûÖÐLREALÈçºÎÉèÖÃ
ÒѾÓÐ7È˻ظ´
ÈçºÎÓÃChem3D½¨Ä£³ÉƬʯīϩ
ÒѾÓÐ3È˻ظ´
ÔÚʯīϩ±íÃæÎü¸½Ë®·Ö×ÓMS¸ÃÈçºÎ½¨Ä£
ÒѾÓÐ7È˻ظ´
[ÒÑÍê½á]¹ØÓÚsolidworks½¨Ä£ÈçºÎµ¼ÈëICEM»Íø¸ñµÄÎÊÌ⣿£¿£¿
ÒѾÓÐ14È˻ظ´
ansys workbenchÀïÃæ½¨Ä£Ê±ÈçºÎʹÓÃÕóÁÐ
ÒѾÓÐ10È˻ظ´
ÇëÎÊÈýάºþ²´ÒªÈçºÎ½¨Ä££¿Òªµ¼ÈëGambit»Íø¸ñµÄ
ÒѾÓÐ18È˻ظ´
ʯīϩÄÉÃ×´ø vasp½¨Ä£ ±ßÔµÈçºÎ¼ÓÇâ
ÒѾÓÐ28È˻ظ´
¡¾½¨Ä£¡¿msÖÐÈçºÎ½¨Á¢Ì¼ÄÉÃ×¹ÜÄ£ÐÍ
ÒѾÓÐ6È˻ظ´
Çóh-BNµÄÔ×ÓλÖÃÒÔ¼°µ¥²ã½á¹¹ÔõôÓÃMS½¨Á¢£¿
ÒѾÓÐ9È˻ظ´
ÓйØMSÖеķ¶µÂ»ªÁ¦
ÒѾÓÐ4È˻ظ´
¡¾ÆäËû¡¿Õ÷¼¯µÚÒ»ÐÔÔÀí¼ÆËã·½ÃæÅ£È˵ÄÖ÷Ò³¡¾»î¶¯½áÊø¡¿
ÒѾÓÐ80È˻ظ´
¡¾ÇóÖú¡¿MS¾§Ì彨ģÀïµÄ·ÖÊý×ø±êÈçºÎÈ·¶¨£¿
ÒѾÓÐ11È˻ظ´
¡¾ÇóÖú¡¿ÈçºÎÓÃABAQUS¶Ôµ¥±Ú̼ÄÉÃ׹ܽøÐн¨Ä£ÄØ
ÒѾÓÐ6È˻ظ´
¡¾ÇóÖúÍê±Ï¡¿ÈçºÎ½«MSµÄxtd½á¹ûÎļþÖÐһϵÁеĽṹ²ÎÊýÈ¡³ö£¿
ÒѾÓÐ9È˻ظ´
ɽ½§ÇåȪHC
гæ (³õÈëÎÄ̳)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 32
- Ìû×Ó: 41
- ÔÚÏß: 97.2Сʱ
- ³æºÅ: 2790551
- ×¢²á: 2013-11-10
- ÐÔ±ð: GG
- רҵ: ¹ÌÌåÁ¦Ñ§
2Â¥2015-03-31 10:06:24














»Ø¸´´ËÂ¥