Znn3bq.jpeg
²é¿´: 2425  |  »Ø¸´: 5
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£

liuying287

½ûÑÔ (ÕýʽдÊÖ)

±¾ÌûÄÚÈݱ»ÆÁ±Î

» ²ÂÄãϲ»¶

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

xujc1983

ľ³æ (ÖøÃûдÊÖ)

¿à±ÆÇཷһö

¡ï
suntao1982(½ð±Ò+1,VIP+0):лл½»Á÷!
²»Êǰ¡£¬Äã²»¶¼×Ô¼ºËµÁËÂҪÓÃ×ÜÄܼõÈ¥×ÔÓÉ̬ԭ×ÓµÄÄÜÁ¿²ÅÊǽáºÏÄÜÂï
¾Ù¸öÀý×Ó£º
CuZrºÏ½ð¾§ÌåµÄ½áºÏÄÜ£½¾§Ìå×ÜÄÜ-CuÔ­×ÓÄÜÁ¿×ܺÍ-ZrÔ­×ÓÄÜÁ¿×ܺÍ
2Â¥2008-07-16 16:33:52
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

jghe

½ð³æ (ÖøÃûдÊÖ)

¡ï
suntao1982(½ð±Ò+1,VIP+0):лл½»Á÷!
1. Ò»°ãÈ¡energy  without entropy
2. ͬÒâÂ¥ÉϵĹ۵ã
3Â¥2008-07-16 20:06:46
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wuxinxing1

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

¡ï ¡ï
suntao1982(½ð±Ò+2,VIP+0):лл½»Á÷!
ÎÊÌâ1£º

free  energy   TOTEN  = -53.707838 eV
energy  without entropy=-53.708370 eV

ºÃºÃµÄµ÷¼ÆËã²ÎÊý£¬Á½¸öÊýÖµ¿ÉÒÔµ÷µÄ·Ç³£½Ó½ü¡£

ÏñÄãÕâÖÖÇé¿ö£¬ÒѾ­ºÜºÃÁË£» ²î±ðºÜС£¬½ö 0.5 meV¡£ÓÃÆäÖÐÈκÎÒ»¸ö¼ÆËã½áºÏÄÜ£¬

²î±ð²»´ó¡£¹Ø¼üÊÇ£º¼ÆËã½áºÏÄܵÄʱºò£¬ÄÜÁ¿ÒªÃ´¶¼È¡ ¡°free  energy   TOTEN¡±£»

Ҫô¶¼È¡ ¡°energy  without entropy¡±£¬±£³ÖÒ»Ö¡£

ÎÊÌâ2£º

²»ÊÇ£¬ÄúµÄÀí½âÊÇ´íÎóµÄ£¡

¼ÆËãµ¥¸öÔ­×Ó£¬ÆäÄÜÁ¿ÊDz»µÈÓÚ¡° 0 ¡± µÄ£¡

POTCARÖÐEATOMµÄÖµ£¬Ö»ÊÇØÍÊÆ²úÉúµÄÏà¹ØÊýÖµ£¬²»ÊǷdz£×¼È·µÄÔ­×ÓÄÜÁ¿£¡

µ¥¸öÔ­×ÓµÄÄÜÁ¿£¬ÒªÁíÍâ¼ÆËã¡£

È»ºó£¬ÔÙ°´¡° 2 ¡±Â¥ ˵µÄ¹«Ê½¼ÆËã½áºÏÄÜ¡£
4Â¥2008-07-17 02:26:04
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

liuying287

½ûÑÔ (ÕýʽдÊÖ)

±¾ÌûÄÚÈݱ»ÆÁ±Î

5Â¥2008-07-23 10:00:18
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xiaomagh

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

¡ï
wuchenwf(½ð±Ò+1):»¶Ó­¹ýÀ´·ÖÏíÄãµÄѧϰ¾­Ñé 1-26 17:04
½ñÌì²Å¿´¼ûÕâ¸öÎÊÌâ¡£ÎÒÒª²¹³äÒ»µãµÄÊÇ£¬2Â¥µÄCuÔ­×ÓµÄ×ÜÄÜÁ¿Ö¸µÄÊǹÂÁ¢Ô­×ÓµÄÄÜÁ¿£¬¶ø²»ÊÇCuÅųÉÃæÐÄÁ¢·½µÄÄÜÁ¿¡£ÕâÑù¼ÆËã³öÀ´²Å½Ð½áºÏÄÜ¡£·ñÔò½ÐºÏ½ðÐγÉìÊ»òÕߺϽðÐγÉÈÈ¡£
6Â¥2008-08-03 13:08:46
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ liuying287 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ²ÄÁÏÀà284µ÷¼Á +21 Ïë»»ÊÖ»ú²»Ïë½âÊ 2026-04-08 25/1250 2026-04-09 07:49 by 5268321
[¿¼ÑÐ] 070300»¯Ñ§Ñ§Ë¶311·ÖÇóµ÷¼Á +17 Áº¸»¹óÏÕÖÐÇó 2026-04-04 18/900 2026-04-08 22:53 by may_ÐÂÓî
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤×¨Ë¶306·ÖÕÒºÏÊʵ÷¼Á +27 ²×º£ÇáÖÛe 2026-04-06 28/1400 2026-04-08 22:06 by wdyheheeh
[¿¼ÑÐ] Ò»Ö¾Ô¸Äϲý´óѧ£¬085600£¬344·ÖÇóµ÷¼Á +11 µ÷¼ÁÉϰ¶«^ 2026-04-05 12/600 2026-04-08 16:17 by luoyongfeng
[¿¼ÑÐ] Çóµ÷¼Á²ÄÁÏ¿ÆÑ§Ó빤³ÌÒ»Ö¾Ô¸985³õÊÔ365·Ö +3 ²Ä»¯Àî¿É 2026-04-08 3/150 2026-04-08 11:46 by zzucheup
[¿¼ÑÐ] ÉúÎïµ÷¼Á +5 ³È×Ó³È×Ó³È×Ó°¡ 2026-04-05 9/450 2026-04-07 15:31 by Éϰ¶¿ì¿ì
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +17 СÁõͬѧ߹߹ 2026-04-06 18/900 2026-04-07 11:41 by Ê«Óë×ÔÓÉ
[¿¼ÑÐ] 22408 331·ÖÇóµ÷¼Á +4 y__1 2026-04-06 4/200 2026-04-06 17:26 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] 362Çóµ÷¼ÁÒ»Ö¾Ô¸ÖйúʯÓÍ´óѧ +4 ÎÒÒª¿¼´ó 2026-04-06 6/300 2026-04-06 14:11 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 0857´óÀà»·¾³¹¤³ÌBÇøÇóµ÷¼Á +3 ¹¨ÓíÃú 2026-04-05 3/150 2026-04-06 10:22 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 288Çóµ÷¼Á Ò»Ö¾Ô¸¹þ¹¤´ó ²ÄÁÏÓ뻯¹¤ +13 ÂåÉñ¸ç¸ç 2026-04-03 13/650 2026-04-05 17:27 by zzx2138
[¿¼ÑÐ] 328·Öµ÷¼Á +6 ÃÅmen 2026-04-04 6/300 2026-04-05 13:40 by imissbao
[¿¼ÑÐ] 298·Ö 070300Çóµ÷¼Á +15 zwen03 2026-04-02 15/750 2026-04-05 12:52 by Hdyxbekcb
[¿¼ÑÐ] 313Çóµ÷¼Á +3 º£ÈÕº£ÈÕ 2026-04-04 3/150 2026-04-05 07:48 by 544594351
[¿¼ÑÐ] 295Çóµ÷¼Á +4 AÄãºÃÑо¿Éú 2026-04-04 5/250 2026-04-04 22:46 by yu221
[¿¼ÑÐ] 085600µ÷¼Á +4 1amJJ 2026-04-02 4/200 2026-04-04 21:53 by hemengdong
[¿¼ÑÐ] 283·ÖÇóµ÷¼Á +7 СÄô°®Ñ§Ï° 2026-04-03 7/350 2026-04-04 21:51 by hemengdong
[¿¼ÑÐ] 368Çóµ÷¼Á +5 ½ñ»ªÏ° 2026-04-03 7/350 2026-04-04 18:47 by imissbao
[¿¼ÑÐ] 268Çóµ÷¼Á +8 ÄãºÃtg 2026-04-03 9/450 2026-04-04 05:08 by gswylq
[¿¼ÑÐ] ±¾¿Æ985£¬×¨Òµ0812·Ö336Çóµ÷¼Á +4 ĪĪºÜÐÐ 2026-04-03 4/200 2026-04-03 21:31 by zhq0425
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û