²é¿´: 2231  |  »Ø¸´: 7
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

06022043

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

[ÇóÖú] ÎÄÕÂÖеÄphase diagram£¨Ïàͼ£©ÊÇÔõô×öµÃ£¿

ÎÒÏëÖªµÀ£¬¸½¼þÖеÄÏàͼÊÇÔõô×öµ½µÄ¡£ÎÒÓÃVASP+phonpy£¬Ëã³öÁËÌØ¶¨Ñ¹Ç¿Ï£¬×ÔÓÉÄÜËæÎ¶ȵı仯£¬µ«ÊÇÔõÑùµÃµ½Ñ¹Ç¿ºÍζȵĹØÏµÄØ£¿
»Ø¸´´ËÂ¥

» ±¾Ìû¸½¼þ×ÊÔ´Áбí

  • »¶Ó­¼à¶½ºÍ·´À¡£ºÐ¡Ä¾³æ½öÌṩ½»Á÷ƽ̨£¬²»¶Ô¸ÃÄÚÈݸºÔð¡£
    ±¾ÄÚÈÝÓÉÓû§×ÔÖ÷·¢²¼£¬Èç¹ûÆäÄÚÈÝÉæ¼°µ½ÖªÊ¶²úȨÎÊÌ⣬ÆäÔðÈÎÔÚÓÚÓû§±¾ÈË£¬Èç¶Ô°æÈ¨ÓÐÒìÒ飬ÇëÁªÏµÓÊÏ䣺xiaomuchong@tal.com
  • ¸½¼þ 1 : PhysRevLett.101.049602.pdf
  • 2012-10-30 18:17:42, 73.77 K

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

ѧϰ

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

Lathander

гæ (СÓÐÃûÆø)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï
fzx2008: ½ð±Ò+1, ллָ½Ì£¡ 2012-11-03 12:24:09
ÒýÓûØÌû:
7Â¥: Originally posted by Ye123 at 2012-11-01 16:30:48
ÇëÎÊEOSÊÇʲô£¿×îÉÏÃæµÄ¹«Ê½ÊÇÓëentropy and enthalpyÓйØÂð£¿ÇóÖ¸µ¼...

equation of states
8Â¥2012-11-03 11:50:47
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 8 ¸ö»Ø´ð

wzbhit

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
fzx2008: ½ð±Ò+1, ¹ÄÀø½»Á÷ÌÖÂÛ 2012-10-30 23:49:59
06022043: ½ð±Ò+5, ¡ïÓаïÖú, ¶àлÌáʾ 2012-10-31 07:45:00
ͬÇ󣡣¡£¡ÖªµÀµ½Óà ab initio thermodynamicÀ´×ö£¬¾ßÌå²Ù×÷²»Ì«Çå³þ
Äã¿ÉÒÔËÑÒ»ÏÂMatthias SchefflerµÄ¹ØÓÚab initio thermodynamicÎÄÕ£¬»òÐí»á¸øÄãµãÆô·¢
´ÓÃ÷Ì쿪ʼ¼á³Ö³ÔÔ緹ѽ£¡
2Â¥2012-10-30 23:36:33
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Lathander

гæ (СÓÐÃûÆø)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
06022043: ½ð±Ò+10, ¡ï¡ï¡ïºÜÓаïÖú, ·Ç³£¸Ðл 2012-10-31 11:17:09
fzx2008: ½ð±Ò+1, ллָ½Ì£¡ 2012-11-03 12:24:33
H=E+kTlog(S)
EÓÃEOSË㣬SÓÃphononËã
ÕâÑù¶Ô²»Í¬Ï࣬ÿ¸öT,PÏ£¬¶¼ÓÐÒ»¸öH£¬±È½ÏH´óС£¬¾ÍÄܵõ½ÄǸöT,PÏÂʲô×îÎȶ¨
H1=H2¶ÔÓ¦µÄT,PÇúÏß¾ÍÊÇphase 1ºÍphase2ƽºâÏß
3Â¥2012-10-31 07:56:55
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhoufeng1982

ľ³æ (ÖøÃûдÊÖ)

ÖªµÀÁ˰¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡°¡
4Â¥2012-10-31 08:46:18
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤304ÇóBÇøµ÷¼Á +3 Çñgl 2026-03-26 3/150 2026-03-26 09:42 by ÍõЦÓîÒ»¶¨ÊÇÑо
[¿¼ÑÐ] ÕÐ08¿¼Êýѧ +8 laoshidan 2026-03-20 17/850 2026-03-25 17:52 by Ò»¸öºìÌ«Ñô
[¿¼ÑÐ] 318Çóµ÷¼Á +5 plumÀî×Ó 2026-03-21 8/400 2026-03-25 09:26 by aa331100
[¿¼ÑÐ] µ÷¼Á +4 13853210211 2026-03-24 4/200 2026-03-24 19:44 by ms629
[¿¼ÑÐ] 292Çóµ÷¼Á +4 ¶ì¶ì¶ì¶î¶î¶î¶î¶ 2026-03-24 4/200 2026-03-24 16:41 by peike
[¿¼ÑÐ] ²ÄÁÏר˶331Çóµ÷¼Á +4 Ïʵ±Å£ 2026-03-24 4/200 2026-03-24 15:58 by JourneyLucky
[¿¼ÑÐ] Çóµ÷¼ÁÒ»Ö¾Ô¸Î人Àí¹¤´óѧ²ÄÁϹ¤³Ì£¨085601£© +5 WW.' 2026-03-23 7/350 2026-03-24 14:50 by sprinining
[¿¼ÑÐ] 335Çóµ÷¼Á +4 yuyuÓî 2026-03-23 5/250 2026-03-23 23:49 by Txy@872106
[¿¼ÑÐ] Ò»Ö¾Ô¸ÎäÀí²ÄÁϹ¤³Ì348Çóµ÷¼Á +6 £þ^£þ©bº¹ 2026-03-19 9/450 2026-03-23 19:53 by pswait
[¿¼ÑÐ] 350Çóµ÷¼Á +6 weudhdk 2026-03-19 6/300 2026-03-23 15:47 by tangyuan0840221
[¿¼ÑÐ] 260Çóµ÷¼Á +3 ÖìÜÆÁÕ 2026-03-20 4/200 2026-03-22 15:12 by ÖìÜÆÁÕ
[¿¼ÑÐ] 269ר˶Çóµ÷¼Á +6 ½ð¶÷±´ 2026-03-21 6/300 2026-03-22 14:31 by ColorlessPI
[¿¼ÑÐ] Çóµ÷¼Á +7 Auroracx 2026-03-22 7/350 2026-03-22 12:38 by ËØÑÕÇã³Ç1988
[¿¼ÑÐ] 265Çóµ÷¼Á +12 ÁºÁºÐ£Ð£ 2026-03-19 14/700 2026-03-21 13:38 by lature00
[¿¼ÑÐ] 332Çóµ÷¼Á +3 ·ï»ËÔº¶¡Õæ 2026-03-20 3/150 2026-03-21 10:27 by luoyongfeng
[¿¼ÑÐ] Ò»Ö¾Ô¸ Î÷±±´óѧ £¬070300»¯Ñ§Ñ§Ë¶£¬×Ü·Ö287£¬Ë«·ÇÒ»±¾£¬Çóµ÷¼Á¡£ +4 ³¿»èÏßÓëÐǺ£ 2026-03-19 4/200 2026-03-20 22:15 by JourneyLucky
[¿¼ÑÐ] 329Çóµ÷¼Á +9 ÏëÉÏѧ߹߹ 2026-03-19 9/450 2026-03-20 22:01 by luoyongfeng
[¿¼ÑÐ] ÖÐÄÏ´óѧ»¯Ñ§Ñ§Ë¶337Çóµ÷¼Á +3 niko- 2026-03-19 6/300 2026-03-20 21:58 by luoyongfeng
[¿¼ÑÐ] 295²ÄÁÏÇóµ÷¼Á£¬Ò»Ö¾Ô¸Î人Àí¹¤085601ר˶ +5 Charlieyq 2026-03-19 5/250 2026-03-20 20:35 by JourneyLucky
[¿¼ÑÐ] 0856µ÷¼Á£¬ÊÇѧУ¾ÍÈ¥ +8 sllhht 2026-03-19 9/450 2026-03-20 14:25 by ÎÞи¿É»÷111
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û