{"id":130,"date":"2012-06-22T17:13:45","date_gmt":"2012-06-22T08:13:45","guid":{"rendered":""},"modified":"2013-10-26T06:12:03","modified_gmt":"2013-10-25T21:12:03","slug":"si%e3%81%ab%e3%81%8a%e3%81%91%e3%82%8binterstitial-defect%e3%81%ae%e6%8b%a1%e6%95%a3%e8%a7%a3%e6%9e%90-neb_si_interstitial_difuusion","status":"publish","type":"post","link":"https:\/\/www.cenav.org\/kdb\/?p=130","title":{"rendered":"Si\u306b\u304a\u3051\u308binterstitial defect\u306e\u62e1\u6563\u89e3\u6790 NEB_Si_interstitial_difuusion"},"content":{"rendered":"

\u6982\u8981<\/h3>\n

\u534a\u5c0e\u4f53\u306b\u306f\u69d8\u3005\u306a\u6b20\u9665\u69cb\u9020\u304c\u5b58\u5728\u3059\u308b\u304c\u3001\u305d\u306e\u3046\u3061\u306e\u4e00\u3064\u304cinterstital\u3067\u3042\u308b\u3002\u3059\u306a\u308f\u3061\u3001\u7d50\u6676\u4f4d\u7f6e\u306b\u306a\u3044\u539f\u5b50\u304c\u4f59\u8a08\u306b\u5b58\u5728\u3059\u308b\u30bf\u30a4\u30d7\u306e\u6b20\u9665\u3067\u3042\u308b\u3002\u3053\u306e\u89e3\u6790\u3067\u306f\u3001Si\u7d50\u6676\u4e2d\u306einterstitial\u304c\u3069\u306e\u3088\u3046\u306b\u62e1\u6563\u3059\u308b\u304b\u3092NEB\u3092\u5229\u7528\u3057\u3066\u89e3\u6790\u3059\u308b\u3002<\/p>\n

\u63a1\u7528\u3059\u308b\u59cb\u72b6\u614b\u30fb\u7d42\u72b6\u614b\u306f\u4e0b\u8a18\u306e\u3088\u3046\u306a\u3082\u306e\u3067\u3042\u308b\u3002<\/p>\n

\"\" \"\"<\/p>\n

\u56f3\u4e2d\u3067\u306f\u3001\u901a\u5e38\u306eSi\u539f\u5b50\u306f\u808c\u8272\u3001\u5927\u304d\u304f\u52d5\u304fSi\u539f\u5b50\u3092\u7dd1\u8272\u3067\u8868\u793a\u3057\u3066\u3044\u308b\u3002\u4eee\u5b9a\u3057\u3066\u3044\u308b\u62e1\u6563\u904e\u7a0b\u306f\u3001interstitial\u4f4d\u7f6e\u306b\u5b58\u5728\u3059\u308b\u539f\u5b50\u304c\u7d50\u6676\u4f4d\u7f6e\u306b\u5b58\u5728\u3059\u308b\u539f\u5b50\u3092\u8ffd\u3044\u51fa\u3057\u3001\u65b0\u305f\u306ainterstitial\u304c\u767a\u751f\u3059\u308b\u3001\u3068\u3044\u3046\u62e1\u6563\u4eee\u5b9a\u3067\u3042\u308b\u3002<\/p>\n

\u5b9f\u884c\u74b0\u5883<\/h3>\n

CPU: Intel Xeon 5450 3 GHz<\/p>\n

GPU:<\/p>\n

Memory:<\/p>\n

HDD:<\/p>\n

\u8a73\u7d30\u8aac\u660e<\/h3>\n\n\n\n\n\t<\/colgroup>\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n\t\t\t\t\u9805\u76ee<\/th>\n\n\t\t\t\t\u8aac\u660e<\/th>\n<\/tr>\n<\/thead>\n
\n\t\t\t\t\u5229\u7528\u6a5f\u80fd<\/th>\n\n\t\t\t\tNEB\u8a08\u7b97\u6a5f\u80fd<\/td>\n<\/tr>\n
\n\t\t\t\t\u8a08\u7b97\u30bf\u30a4\u30d7<\/th>\n\n\t\t\t\t1\u56de\u306e\u8a08\u7b97<\/td>\n<\/tr>\n
\n\t\t\t\t\u4e26\u5217\u6570<\/th>\n\n\t\t\t\t6\u30d0\u30f3\u30c9\u4e26\u5217<\/td>\n<\/tr>\n
\n\t\t\t\t\u53c2\u7167\u8a08\u7b97\u6642\u9593<\/th>\n\n\t\t\t\tNEB 1\u30b9\u30c6\u30c3\u30d7\u3042\u305f\u308a1,400\u79d2\u7a0b\u5ea6<\/td>\n<\/tr>\n
\n\t\t\t\t\u7cfb\u306e\u7a2e\u985e<\/th>\n\n\t\t\t\t\u534a\u5c0e\u4f53<\/td>\n<\/tr>\n
\n\t\t\t\t\u5468\u671f\u6027<\/th>\n\n\t\t\t\t3\u6b21\u5143<\/td>\n<\/tr>\n
\n\t\t\t\t\u7d44\u6210<\/th>\n\n\t\t\t\tSi 65\u500b<\/td>\n<\/tr>\n
\n\t\t\t\t\u683c\u5b50\u5b9a\u6570<\/th>\n\n\t\t\t\ta = 10.855 Å<\/td>\n<\/tr>\n
\n\t\t\t\t\u30d6\u30e9\u30d9\u30fc\u683c\u5b50<\/th>\n\n\t\t\t\t\u7acb\u65b9<\/td>\n<\/tr>\n
\n\t\t\t\t\u64ec\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u30d5\u30a1\u30a4\u30eb<\/th>\n\n\t\t\t\tSi_ggapbe_nc_01.pp<\/td>\n<\/tr>\n
\n\t\t\t\t\u78c1\u6027<\/th>\n\n\t\t\t\t\u306a\u3057<\/td>\n<\/tr>\n
\n\t\t\t\t\u30ab\u30c3\u30c8\u30aa\u30d5\u30a8\u30cd\u30eb\u30ae\u30fc<\/th>\n\n\t\t\t\t16 Rydberg<\/td>\n<\/tr>\n
\n\t\t\t\tk\u70b9\u30b5\u30f3\u30d7\u30ea\u30f3\u30b0<\/th>\n\n\t\t\t\tΓ\u70b9\u306e\u307f<\/td>\n<\/tr>\n
\n\t\t\t\t\u6ce2\u52d5\u95a2\u6570\u30bd\u30eb\u30d0\u30fc<\/th>\n\n\t\t\t\tDavidson→rmm<\/td>\n<\/tr>\n
\n\t\t\t\t\u96fb\u8377\u5bc6\u5ea6\u6df7\u5408\u6cd5<\/th>\n\n\t\t\t\tpulay, amix 0.3<\/td>\n<\/tr>\n
\n\t\t\t\t\u53ce\u675f\u5224\u5b9a<\/th>\n\n\t\t\t\t1e-9 2\u56de<\/td>\n<\/tr>\n
\n\t\t\t\t\u305d\u306e\u307b\u304b\u306e\u8a2d\u5b9a<\/th>\n\n\t\t\t\tNEB\u306e\u8a2d\u5b9a<\/td>\n<\/tr>\n
\n\t\t\t\t\u3000\u6700\u9069\u5316\u624b\u6cd5\uff1aquench<\/td>\n<\/tr>\n
\n\t\t\t\t  \u3070\u306d\u5b9a\u6570\uff1a0.03<\/td>\n<\/tr>\n
\n\t\t\t\t  \u521d\u671f\u30ec\u30d7\u30ea\u30ab\u306e\u6c7a\u3081\u65b9\uff1a\u7dda\u5f62\u88dc\u9593<\/td>\n<\/tr>\n
\n\t\t\t\t  \u4e21\u7aef\u3092\u9664\u3044\u305f\u30ec\u30d7\u30ea\u30ab\u6570\uff1a8<\/td>\n<\/tr>\n
\n\t\t\t\t\u4f5c\u696d\u30c7\u30a3\u30ec\u30af\u30c8\u30ea\u30fc<\/th>\n\n\t\t\t\tchemical_reaction\/Si_diffusion_NEB<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n

 <\/p>\n