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stone1979

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[½»Á÷] vasp ¹ØÓÚrandom solid solution modelµÄÎÊÌâ¡£

1/ÇëÎÊÔÚVASPÖÐÔõÑù¹¹Ôìrandom solid solution model£¿
2/¹ØÓÚrandom solid solution modelµÄԭʼÎÄÏ×ÓÐÄÇЩ£¿
3/random solid solution modelÓëSQSÄ£Ð͵ÄÇø±ðÓëÁªÏµ¡£
4/ÈôÓгæ×ÓÓùýrandom solid solution model£¬Çë²»ÁߴͽÌ
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stone1979(½ð±Ò+2): лл²ÎÓë
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1. ???X???????? AIRSS (ab initio random structure searching) ??????????
http://www.cmmp.ucl.ac.uk/~ajm/airss/airss.html
???c????...... random structure


2. ?????? solid solution ???????¨©I???@?
http://link.springer.com/article/10.1007%2FBF02751483

random solid solution ?? solid solution ????N
?P? solid solution
??????@????
Impurity Scattering in Metallic Alloys ???? Joginder Singh Galsin
?e??? 2.5.1.  Solid Solutions

3. ?]??^ SQS

4. ?]???^ random solid solution
    ???^?????^ AIRSS
40Â¥2015-10-01 00:05:33
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melody

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9Â¥2015-09-30 22:33:21
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melody

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11Â¥2015-09-30 22:33:32
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xiaofeishen

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31Â¥2015-09-30 23:28:21
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stone1979

Òø³æ (СÓÐÃûÆø)


ÒýÓûØÌû:
40Â¥: Originally posted by jpchou at 2015-10-01 00:05:33
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1. ÎÒÓXµÃ×ö·¨¸ú AIRSS (ab initio random structure searching) ¾«ÉñÊÇÒ»˜ÓµÄ
http://www.cmmp.ucl.ac.uk/~ajm/airss/airss.html
ÖØüc¾ÍÊÇ...... random structure


2. ×·µ½Õ„µ½ solid solution ·Ö ...

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