{"id":24,"date":"2018-04-23T07:26:45","date_gmt":"2018-04-23T07:26:45","guid":{"rendered":"http:\/\/ogt.web.nitech.ac.jp\/?page_id=24"},"modified":"2024-06-14T02:13:27","modified_gmt":"2024-06-14T02:13:27","slug":"%e7%a0%94%e7%a9%b6%e5%86%85%e5%ae%b9","status":"publish","type":"page","link":"https:\/\/ogt.web.nitech.ac.jp\/?page_id=24","title":{"rendered":"\u7814\u7a76\u5185\u5bb9"},"content":{"rendered":"<p>\u3053\u3053\u3067\u306f\u6211\u3005\u304c\u884c\u306a\u3063\u3066\u3044\u308b\u7814\u7a76\u3092\u7d39\u4ecb\u3057\u307e\u3059\uff0e<br \/>\n( English \u2192 Please see\u00a0<b><a title=\"Research\" href=\"http:\/\/ogt.web.nitech.ac.jp\/?page_id=294\">Research<\/a><\/b>\u00a0page for details. )<\/p>\n<hr \/>\n<p>\u904e\u53bb\u306e\u8ad6\u6587\u3000\u3000\u3000\u2192\u3000<a href=\"http:\/\/ogt.web.nitech.ac.jp\/?page_id=183\">\u7814\u7a76\u6210\u679c<\/a><br \/>\n\u5352\u696d\u751f\u306e\u30c6\u30fc\u30de\u3000\u2192\u3000<a href=\"http:\/\/ogt.web.nitech.ac.jp\/?page_id=185\">\u4fee\u58eb\u8ad6\u6587<\/a>\uff0c<a href=\"http:\/\/ogt.web.nitech.ac.jp\/?page_id=187\">\u5352\u696d\u8ad6\u6587<\/a><\/p>\n<hr \/>\n<h2>\u91d1\u5c5e\u6a39\u8102\u9593\u306e\u63a5\u7740\u5f37\u5ea6\u306b\u53ca\u307c\u3059\u6c34\u5206\u52b9\u679c\u306b\u3064\u3044\u3066\u306e\u30cf\u30a4\u30d6\u30ea\u30c3\u30c9\u91cf\u5b50\u53e4\u5178\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3<\/h2>\n<p><span style=\"font-size: 12pt;\">\u3000<img loading=\"lazy\" decoding=\"async\" class=\"size-medium wp-image-662 alignleft\" src=\"http:\/\/ogt.web.nitech.ac.jp\/wp-content\/uploads\/2018\/08\/Al-epoxy-2-300x285.png\" alt=\"\" width=\"300\" height=\"285\" srcset=\"https:\/\/ogt.web.nitech.ac.jp\/wp-content\/uploads\/2018\/08\/Al-epoxy-2-300x285.png 300w, https:\/\/ogt.web.nitech.ac.jp\/wp-content\/uploads\/2018\/08\/Al-epoxy-2-644x612.png 644w, https:\/\/ogt.web.nitech.ac.jp\/wp-content\/uploads\/2018\/08\/Al-epoxy-2.png 650w\" sizes=\"auto, (max-width: 300px) 100vw, 300px\" \/>\u3082\u306e\u3065\u304f\u308a\u7523\u696d\u3092\u63a5\u7740\uff08\u5bc6\u7740\uff09\u3084\u5c01\u6b62\u306e\u7528\u9014\u3067\u652f\u3048\u3066\u3044\u308b\u30a8\u30dd\u30ad\u30b7\u7cfb\u63a5\u7740\u5264\u306f\uff0c\u81ea\u52d5\u8eca\u306e\u30de\u30eb\u30c1\u30de\u30c6\u30ea\u30a2\u30eb\u5316\u3084\u904e\u9177\u74b0\u5883\u3067\u306e\u9ad8\u4fe1\u983c\u5ea6\u306a\uff08\u5727\u529b\uff09\u30bb\u30f3\u30b5\u30fc\u7b49\u306e\u9700\u8981\u306e\u9ad8\u307e\u308a\u306b\u3088\u308a\uff0c\u3088\u308a\u4e00\u5c64\u306e\u6027\u80fd\u5411\u4e0a\u304c\u671f\u5f85\u3055\u308c\u3066\u3044\u308b\uff0e\u672c\u7814\u7a76\u3067\u306f\uff0c\u53e4\u304f\u304b\u3089\u77e5\u3089\u308c\u3066\u3044\u308b\u5927\u554f\u984c\u3067\u3042\u308b\u300c\u6c34\u5206\u306b\u3088\u308b\u63a5\u7740\u529b\u4f4e\u4e0b\u73fe\u8c61\u300d\u3092\uff0c\u96fb\u5b50\u30fb\u539f\u5b50\u30ec\u30d9\u30eb\u304b\u3089\u306e\u5927\u898f\u6a21\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u306b\u3088\u308a\u89e3\u660e\u3059\u308b\u3053\u3068\u306b\u6210\u529f\u3057\u305f\uff0e\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u306b\u969b\u3057\u3066\u306f\uff0c\u81ea\u7136\u9178\u5316\u819c\u3092\u6301\u3064\u91d1\u5c5eAl\u7cfb\u306b\uff0c\u30a8\u30dd\u30ad\u30b7\u6a39\u8102\u7cfb\u3092\u63a5\u89e6\u3055\u305b\uff0c\u305d\u306e\u63a5\u89e6\u90e8\u306b\u306f\u6c34\u5206\u5b50\u3092\u5c0e\u5165\u3057\u305f\uff0e\u307e\u305f\uff0c\u30a8\u30dd\u30ad\u30b7\u6a39\u8102\u306e\u30e2\u30c7\u30eb\u3068\u3057\u3066\uff0c\u30a8\u30dd\u30ad\u30b7\u57fa\u306e\u5b58\u5728\u3092\u5f37\u8abf\u3057\u305f\u30e2\u30c7\u30eb\u3068\uff0cOH\u57fa\u306e\u5b58\u5728\u3092\u5f37\u8abf\u3057\u305f\u30e2\u30c7\u30eb\u306e\uff12\u7a2e\u985e\u3092\u7528\u610f\u3057\u305f\uff0e\u63a5\u89e6\u90e8\u306b\u304a\u3051\u308b1500\u539f\u5b50\u7a0b\u5ea6\u306e\u9818\u57df\u3092\uff0cDC-RGDFT\u30b3\u30fc\u30c9\u306b\u3088\u308bDFT\u3067\u96fb\u5b50\u72b6\u614b\u304b\u3089\u8a08\u7b97\u3057\uff0c\u6b8b\u308a\u306e\u9818\u57df\u306f\u53e4\u5178\u539f\u5b50\u9593\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306b\u3088\u308a\u8a08\u7b97\u3057\u305f\uff0e\u7279\u306b\uff0cOH\u57fa\u306e\u5b58\u5728\u3092\u5f37\u8abf\u3057\u305f\u5206\u5b50\u30e2\u30c7\u30eb\u3092\u7528\u3044\u305f\u5834\u5408\u306b\uff0c\u5b9f\u9a13\u76f8\u5f53\u306e\u63a5\u7740\u5f37\u5ea6\u3092\uff0c\u6c34\u5206\u306b\u3088\u308b\u5f37\u5ea6\u4f4e\u4e0b\u3092\u542b\u3081\u3066\u518d\u73fe\u3059\u308b\u3053\u3068\u306b\u6210\u529f\u3057\u305f\uff0e\u3055\u3089\u306b\uff0c\u5b9f\u9a13\u6e2c\u5b9a\u304c\u96e3\u3057\u3044\u5316\u5b66\u53cd\u5fdc\u3092\u6570\u7a2e\u985e\u898b\u51fa\u3057\u305f\uff0e<\/span><\/p>\n<p><span style=\"font-size: 12pt;\">\u30ad\u30fc\u30ef\u30fc\u30c9\uff1a\u6709\u6a5f\u7121\u6a5f\u754c\u9762\uff0c\u30a8\u30dd\u30ad\u30b7\u6a39\u8102\uff0cAl\uff0c\u63a5\u7740\uff0c\u30cf\u30a4\u30d6\u30ea\u30c3\u30c9\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3<\/span><\/p>\n<hr \/>\n<h2>\u5927\u898f\u6a21\u7cfb\u306e\u96fb\u5b50\u72b6\u614b\u8a08\u7b97\u30b3\u30fc\u30c9\u306e\u958b\u767a<\/h2>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"size-medium wp-image-226 alignleft\" src=\"http:\/\/ogt.web.nitech.ac.jp\/wp-content\/uploads\/2018\/04\/ogata-graph-speed-300x209.png\" alt=\"\" width=\"300\" height=\"209\" srcset=\"https:\/\/ogt.web.nitech.ac.jp\/wp-content\/uploads\/2018\/04\/ogata-graph-speed-300x209.png 300w, https:\/\/ogt.web.nitech.ac.jp\/wp-content\/uploads\/2018\/04\/ogata-graph-speed-768x535.png 768w, https:\/\/ogt.web.nitech.ac.jp\/wp-content\/uploads\/2018\/04\/ogata-graph-speed.png 811w\" sizes=\"auto, (max-width: 300px) 100vw, 300px\" \/><span style=\"font-size: 12pt;\">\u3000\u6570\u5343\u539f\u5b50\u898f\u6a21\u306e\u5927\u898f\u6a21\u306a\u5bfe\u8c61\u7cfb\u306b\u3082\u9069\u7528\u3067\u304d\u308b\uff0c\u65b0\u3057\u3044\u96fb\u5b50\u72b6\u614b\u8a08\u7b97\u6cd5\u3068\u305d\u306e\u6c4e\u7528\u30b3\u30fc\u30c9\u3092\u7814\u7a76\u30fb\u958b\u767a\u3057\u3066\u3044\u308b\uff0eKohn-Sham\u306e\u5b9a\u5f0f\u5316\u306b\u57fa\u3065\u304f\u5bc6\u5ea6\u6c4e\u95a2\u6570\u6cd5\u306e\u30b3\u30fc\u30c9\u306f\uff0c\u96fb\u5b50\u8ecc\u9053\u3092\u591a\u6570\u306e\u5e73\u9762\u6ce2\u3092\u4f7f\u3063\u3066\u7c21\u4fbf\u306b\u8868\u73fe\u3057\u8a08\u7b97\u3059\u308b\u3053\u3068\u304c\u3057\u3070\u3057\u3070\u884c\u308f\u308c\u308b\uff0e\u3057\u304b\u3057\u305d\u306e\u7d50\u679c\uff0c\u30b9\u30d1\u30b3\u30f3\u306e\u591a\u6570\u306e\u30ce\u30fc\u30c9\u3092\u4f7f\u3063\u305f\u8a08\u7b97\u306e\u969b\u306b\u306f\u52b9\u7387\u304c\u826f\u304f\u306a\u3044\uff0e\u305d\u306e\u305f\u3081\uff0c\u539f\u5b50\u306e\u30c0\u30a4\u30ca\u30df\u30af\u30b9\u3092\u8abf\u3079\u308b\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u3067\u306f\uff0c\u539f\u5b50\u6570\u306f\u767e\u30aa\u30fc\u30c0\u30fc\u304c\u5b9f\u7528\u4e0a\u306e\u9650\u754c\u3067\u3042\u308b\uff0e\u3053\u308c\u306b\u5bfe\u3057\u3066\u6211\u3005\u306f\uff0c\u5b9f\u7a7a\u9593\u3067\u306e\u683c\u5b50\u70b9\u4e0a\u306e\u6570\u5024\u3068\u3057\u3066\u8ecc\u9053\u95a2\u6570\u3092\u8868\u73fe\u3059\u308b\u5b9f\u7a7a\u9593\u30b0\u30ea\u30c3\u30c9\u5bc6\u5ea6\u6c4e\u95a2\u6570\u30b3\u30fc\u30c9\uff08RGDFT\uff09\u3092\u958b\u767a\u3057\u305f\uff0e\u5b9f\u7a7a\u9593\u8868\u73fe\u3067\u3042\u308b\u3053\u3068\u304b\u3089\u5883\u754c\u6761\u4ef6\u3084\u5168\u96fb\u8377\u6570\u3092\u81ea\u7531\u306b\u8a2d\u5b9a\u3067\u304d\u308b\uff0e\u3053\u306e\u65b9\u6cd5\u3067\u306f\uff0c\u5168\u683c\u5b50\u70b9\u3092\u4eee\u60f3\u7684\u306b\u5206\u5272\u3057\u3066\u5404\u30ce\u30fc\u30c9\u304c\u62c5\u5f53\u3059\u308b\u683c\u5b50\u70b9\u6570\u3092\u5c11\u306a\u304f\u3059\u308b\u3053\u3068\u3067\uff0c\u30b9\u30d1\u30b3\u30f3\u306e\u591a\u6570\u306e\u30ce\u30fc\u30c9\u3092\u7528\u3044\u308b\u969b\u306b\u9ad8\u3044\u6027\u80fd\u304c\u5f97\u3089\u308c\u308b\uff0e\u6700\u8fd1\u3055\u3089\u306b\uff0c\u6570\u5343\u539f\u5b50\u898f\u6a21\u306e\u5bfe\u8c61\u7cfb\u3092\u6271\u3048\u308b\u3088\u3046\u306b\uff0c\u5bfe\u8c61\u7cfb\u81ea\u8eab\u3082\u4eee\u60f3\u7684\u306b\u30c9\u30e1\u30a4\u30f3\u306b\u5206\u5272\u3057\uff0c\u5404\u30c9\u30e1\u30a4\u30f3\u3067\u306e\u5b9f\u7a7a\u9593\u30b0\u30ea\u30c3\u30c9\u5bc6\u5ea6\u6c4e\u95a2\u6570\u8a08\u7b97\u306e\u7d50\u679c\u3092\u7d71\u5408\u3059\u308b\u65b0\u3057\u3044\u5b9a\u5f0f\u5316\u3082\u63d0\u6848\u3057\u30b3\u30fc\u30c9\u5316\uff08DC-RGDFT\uff09\u3057\u305f\uff0e\u3053\u306e\u65b9\u6cd5\u306b\u3088\u308b\u3068\uff0c\u5bfe\u8c61\u7cfb\u306e\u5168\u539f\u5b50\u306b\u50cd\u304f\u529b\u3092\u539f\u5b50\u6570\u306b\u6bd4\u4f8b\u3059\u308b\u8a08\u7b97\u91cf\u3067\u5f97\u308b\u3053\u3068\u304c\u3067\u304d\u308b\uff0eDC-RGDFT\u306f\uff0c\u30b9\u30d1\u30b3\u30f3\u4eac\u306e\u591a\u6570\u306e\u30ce\u30fc\u30c9\u3092\u7528\u3044\u305f\u6027\u80fd\u30c6\u30b9\u30c8\u3067\uff0c\u826f\u3044\u7d50\u679c\u3092\u793a\u3057\u3066\u3044\u308b\uff0e<\/span><\/p>\n<p><span style=\"font-size: 12pt;\">\u30ad\u30fc\u30ef\u30fc\u30c9\uff1a\u91cf\u5b50\u529b\u5b66\uff0c\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\uff0c\u30b9\u30fc\u30d1\u30fc\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf<\/span><\/p>\n<hr \/>\n<h2>Li\u30a4\u30aa\u30f3\u4e8c\u6b21\u96fb\u6c60\u306e\u8ca0\u6975SEI\u306e\u7b2c\u4e00\u539f\u7406\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3<\/h2>\n<p><img loading=\"lazy\" decoding=\"async\" class=\" wp-image-230 alignleft\" src=\"http:\/\/ogt.web.nitech.ac.jp\/wp-content\/uploads\/2018\/04\/ogata-SEI-DFT-261x300.png\" alt=\"\" width=\"248\" height=\"285\" srcset=\"https:\/\/ogt.web.nitech.ac.jp\/wp-content\/uploads\/2018\/04\/ogata-SEI-DFT-261x300.png 261w, https:\/\/ogt.web.nitech.ac.jp\/wp-content\/uploads\/2018\/04\/ogata-SEI-DFT.png 486w\" sizes=\"auto, (max-width: 248px) 100vw, 248px\" \/><span style=\"font-size: 12pt;\">\u3000Li\u30a4\u30aa\u30f3\u96fb\u6c60\u306f\uff0c\u69d8\u3005\u306a\u7a2e\u985e\u304c\u3042\u308b\u84c4\u96fb\u6c60\u306e\u4e2d\u3067\u3082\u96fb\u5727\u304c\u9ad8\u304f\uff0c\u591a\u6570\u56de\u306e\u7e70\u308a\u8fd4\u3057\u5229\u7528\u304c\u53ef\u80fd\u3067\u3042\u308a\uff0c\u30b3\u30f3\u30d1\u30af\u30c8\u3067\u3082\u3042\u308b\u305f\u3081\uff0c\u96fb\u5b50\u6a5f\u5668\u3092\u4e2d\u5fc3\u306b\u73fe\u5728\u6700\u3082\u4f7f\u308f\u308c\u3066\u3044\u308b\uff0e\u3057\u304b\u3057Li\u30a4\u30aa\u30f3\u96fb\u6c60\u3092\uff0c\u81ea\u52d5\u8eca\u7b49\u306e\u52d5\u529b\u3068\u3057\u3066\u5229\u7528\u3059\u308b\u306b\u306f\uff0c\u3055\u3089\u306b\u69d8\u3005\u306a\u9762\u3067\u306e\u6027\u80fd\u30a2\u30c3\u30d7\u304c\u5fc5\u8981\u3067\u3042\u308b\uff0eLi\u30a4\u30aa\u30f3\u96fb\u6c60\u306e\u5185\u90e8\u3067\u306f\uff0c\u521d\u56de\u5145\u96fb\u6642\uff0c\u305d\u306e\u8ca0\u6975\u3068\u96fb\u89e3\u8cea\u3068\u306e\u754c\u9762\u306b\uff0c\u56fa\u4f53\u96fb\u89e3\u8cea\u76ae\u819c\uff08SEI\uff09\u3068\u3088\u3070\u308c\u308b\u8584\u3044\u819c\u304c\u751f\u3058\u308b\uff0eLi\u30a4\u30aa\u30f3\u304cSEI\u3092\u901a\u904e\u3059\u308b\u969b\u306e\u30ec\u30fc\u30c8\u3092\u4e0a\u3052\u308b\u3053\u3068\u304c\uff0c\u96fb\u6c60\u306e\u51fa\u529b\u6027\u80fd\u3092\u5411\u4e0a\u3055\u305b\u308b\u70ba\u306b\u91cd\u8981\u3068\u306a\u3063\u3066\u3044\u308b\uff0e\u6211\u3005\u306f\uff0c\u72ec\u81ea\u306b\u958b\u767a\u3057\u305f\u96fb\u5b50\u72b6\u614b\u8a08\u7b97\u30b3\u30fc\u30c9DC-RGDFT\u3092\u7528\u3044\u3066\uff0cLi\u30a4\u30aa\u30f3\u96fb\u6c60\u306e\u30b0\u30e9\u30d5\u30a1\u30a4\u30eb\u8ca0\u6975\u306e\u8fd1\u508d\u306b\u751f\u6210\u3055\u308c\u308bSEI-\u96fb\u89e3\u6db2\u754c\u9762\u3092\u900f\u904e\u3059\u308bLi\u30a4\u30aa\u30f3\u7fa4\u306b\u95a2\u3057\u3066\uff0c\u3053\u308c\u307e\u3067\u306e\uff15\u500d\u3092\u8d85\u3048\u308b\u898f\u6a21\uff08\u7d042400\u539f\u5b50\uff09\u3067\u306e\u7b2c\u4e00\u539f\u7406\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u3092\u884c\u3046\u3053\u3068\u306b\u4e16\u754c\u3067\u521d\u3081\u3066\u6210\u529f\u3057\u305f\uff0e\u305d\u306e\u7d50\u679c\uff0c\u96fb\u89e3\u8cea\u306b\u6dfb\u52a0\u3059\u308b\u5869\u306b\u3088\u308bLi\u30a4\u30aa\u30f3\u900f\u904e\u7387\u306e\u5897\u5927\u52b9\u679c\u7b49\u3092\u767a\u898b\u3057\u305f\uff0e<br \/>\n<\/span><br \/>\n<span style=\"font-size: 12pt;\"> \u30ad\u30fc\u30ef\u30fc\u30c9\uff1a\u91cf\u5b50\u529b\u5b66\uff0c\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\uff0cLi\u30a4\u30aa\u30f3\u4e8c\u6b21\u96fb\u6c60\uff0c\u56fa\u4f53\u96fb\u89e3\u8cea\u76ae\u819c\uff08SEI)<\/span><\/p>\n<hr \/>\n<h2>\u56fa\u4f53\u96fb\u89e3\u8cea\u5185\u30a4\u30aa\u30f3\u4f1d\u5c0e\u6a5f\u69cb\u306e\u89e3\u660e<\/h2>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"size-medium wp-image-1013 alignleft\" src=\"http:\/\/ogt.web.nitech.ac.jp\/wp-content\/uploads\/2024\/06\/240613_ASSB_ion-flux-300x248.jpg\" alt=\"\" width=\"300\" height=\"248\" srcset=\"https:\/\/ogt.web.nitech.ac.jp\/wp-content\/uploads\/2024\/06\/240613_ASSB_ion-flux-300x248.jpg 300w, https:\/\/ogt.web.nitech.ac.jp\/wp-content\/uploads\/2024\/06\/240613_ASSB_ion-flux-644x532.jpg 644w, https:\/\/ogt.web.nitech.ac.jp\/wp-content\/uploads\/2024\/06\/240613_ASSB_ion-flux-768x635.jpg 768w, https:\/\/ogt.web.nitech.ac.jp\/wp-content\/uploads\/2024\/06\/240613_ASSB_ion-flux-1536x1269.jpg 1536w, https:\/\/ogt.web.nitech.ac.jp\/wp-content\/uploads\/2024\/06\/240613_ASSB_ion-flux-2048x1692.jpg 2048w\" sizes=\"auto, (max-width: 300px) 100vw, 300px\" \/>\u3000\u5b89\u5168\u6027\uff0c\u8010\u71b1\u6027\uff0c\u9ad8\u30a8\u30cd\u30eb\u30ae\u30fc\u5bc6\u5ea6\u306a\u3069\u306e\u89b3\u70b9\u304b\u3089\uff0c\u6b21\u4e16\u4ee3Li\u30a4\u30aa\u30f3\u4e8c\u6b21\u96fb\u6c60\u3068\u3057\u3066\u5168\u56fa\u4f53\u96fb\u6c60\u304c\u671f\u5f85\u3055\u308c\u3066\u3044\u307e\u3059\uff0e\u5168\u56fa\u4f53\u96fb\u6c60\u306b\u304a\u3044\u3066\u6b63\u6975\u3068\u8ca0\u6975\u3092\u9694\u3066\u308b\u56fa\u4f53\u96fb\u89e3\u8cea\u306f\uff0c\u9ad8\u30a4\u30aa\u30f3\u4f1d\u5c0e\uff0c\u5316\u5b66\u7684\u5b89\u5b9a\u6027\uff0cLi\u91d1\u5c5e\u30c7\u30f3\u30c9\u30e9\u30a4\u30c8\u8010\u6027\u306a\u3069\u306e\u7269\u6027\u304c\u8981\u6c42\u3055\u308c\u308b\u305f\u3081\uff0c\u591a\u304f\u306e\u6750\u6599\u7814\u7a76\u304c\u884c\u308f\u308c\u3066\u3044\u307e\u3059\uff0e\u3057\u304b\u3057\u306a\u304c\u3089\uff0c\u591a\u7d50\u6676\u4f53\u306e\u7d50\u6676\u7c92\u3092\u9694\u3066\u308b\u7c92\u754c\u306f\u30d0\u30eb\u30af\u3068\u306f\u7570\u306a\u308a\uff0c\u30a4\u30aa\u30f3\u4f1d\u5c0e\u62b5\u6297\u304c\u9ad8\u304f\uff0c\u96fb\u5b50\u4f1d\u5c0e\u5ea6\u304c\u9ad8\u304f\uff0c\u6a5f\u68b0\u7684\u5f37\u5ea6\u304c\u4f4e\u3044\u3053\u3068\u304c\u591a\u3044\u3067\u3059\uff0e\u7c92\u754c\u306b\u304a\u3051\u308b\u3053\u306e\u3088\u3046\u306a\u7269\u6027\u3092\u660e\u3089\u304b\u306b\u3057\u3066\uff0c\u305d\u308c\u3092\u5236\u5fa1\u3059\u308b\u3053\u3068\u304c\uff0c\u9ad8\u6027\u80fd\u306a\u5168\u56fa\u4f53\u96fb\u6c60\u5b9f\u73fe\u3078\u306e\u8ab2\u984c\u3068\u306a\u3063\u3066\u3044\u307e\u3059\uff0e\u5f53\u7814\u7a76\u5ba4\u3067\u306f\uff0c\u5206\u5b50\u52d5\u529b\u5b66\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u3092\u7528\u3044\u3066\uff0c\u56fa\u4f53\u96fb\u89e3\u8cea\u306e\u7c92\u754c\u3084\u7570\u76f8\u754c\u9762\u306b\u304a\u3051\u308b\u30a4\u30aa\u30f3\u4f1d\u5c0e\u62b5\u6297\u6a5f\u69cb\u3092\u89e3\u660e\u3059\u308b\u7814\u7a76\u3092\u884c\u3063\u3066\u3044\u307e\u3059\uff0e<\/p>\n<ul>\n<li><a href=\"https:\/\/doi.org\/10.1016\/j.actamat.2021.117596\">R. KOBAYASHI, et al., Acta Materialia, **226**, 117596 (2022).<\/a><\/li>\n<li><a href=\"https:\/\/doi.org\/10.1007\/s10008-024-05892-9\">R. Kobayashi, et al., Journal of Solid State Electrochemistry, (2024).<\/a><\/li>\n<\/ul>\n<p>\u30ad\u30fc\u30ef\u30fc\u30c9\uff1a\u5168\u56fa\u4f53\u96fb\u6c60\uff0c\u56fa\u4f53\u96fb\u89e3\u8cea\uff0c\u56fa\u4f53\u30a4\u30aa\u30cb\u30af\u30b9\uff0c\u7d50\u6676\u7c92\u754c<\/p>\n<hr \/>\n<h2>\u539f\u5b50\u9593\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u4f5c\u6210\u30c4\u30fc\u30eb\u958b\u767a<\/h2>\n<p><img loading=\"lazy\" decoding=\"async\" class=\" wp-image-605 alignleft\" src=\"http:\/\/ogt.web.nitech.ac.jp\/wp-content\/uploads\/2018\/05\/NN_pot-300x300.png\" alt=\"\" width=\"274\" height=\"274\" srcset=\"https:\/\/ogt.web.nitech.ac.jp\/wp-content\/uploads\/2018\/05\/NN_pot-300x300.png 300w, https:\/\/ogt.web.nitech.ac.jp\/wp-content\/uploads\/2018\/05\/NN_pot-150x150.png 150w, https:\/\/ogt.web.nitech.ac.jp\/wp-content\/uploads\/2018\/05\/NN_pot.png 629w\" sizes=\"auto, (max-width: 274px) 100vw, 274px\" \/><span style=\"font-size: 12pt;\">\u3000\u5206\u5b50\u52d5\u529b\u5b66(MD)\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u306f\u975e\u5e38\u306b\u5f37\u529b\u306a\u30c4\u30fc\u30eb\u3067\u3059\u304c\uff0c\u305d\u306e\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u304c\u73fe\u5b9f\u3092\u3088\u304f\u518d\u73fe\u3057\u3066\u3044\u308b\u304b\u3069\u3046\u304b\u306f\uff0c\u539f\u5b50\u9593\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb(\u539f\u5b50\u9593\u306e\u76f8\u4e92\u4f5c\u7528)\u306e\u7cbe\u5ea6\u306b\u5f37\u304f\u4f9d\u5b58\u3057\u307e\u3059\uff0e\u539f\u5b50\u9593\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306f\u305d\u306e\u95a2\u6570\u5f62\u3068\u542b\u307e\u308c\u308b\u30d1\u30e9\u30e1\u30fc\u30bf\u306b\u3088\u308a\u6c7a\u307e\u308a\u307e\u3059\uff0e\u672c\u7814\u7a76\u5ba4\u3067\u306f\uff0c\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u3092\u518d\u73fe\u3059\u308b\u3088\u3046\u306b\u30d1\u30e9\u30e1\u30fc\u30bf\u3092\u6700\u9069\u5316\u3059\u308b\u30c4\u30fc\u30eb\u3092\u958b\u767a\u3057\u3066\u3044\u307e\u3059\uff0e\u3053\u308c\u3092\u7528\u3044\u308b\u3053\u3068\u3067\uff0c\u3044\u304b\u306a\u308b\u6750\u6599\u3067\u3042\u3063\u3066\u3082\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u306e\u7d50\u679c\u3092\u518d\u73fe\u3059\u308b\u539f\u5b50\u9593\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u3092\u69cb\u7bc9\u3057\u3066MD\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u304c\u53ef\u80fd\u3068\u306a\u308a\u307e\u3059\uff0e\u307e\u305f\uff0c\u8fd1\u5e74\u6d3b\u767a\u306b\u958b\u767a\u3055\u308c\u308b\u3088\u3046\u306b\u306a\u3063\u3066\u304d\u3066\u3044\u308b\u6a5f\u68b0\u5b66\u7fd2\u578b(\u30cb\u30e5\u30fc\u30e9\u30eb\u30fb\u30cd\u30c3\u30c8\u30ef\u30fc\u30af(NN))\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u3082\u69cb\u7bc9\u3059\u308b\u3053\u3068\u304c\u3067\u304d\uff0c\u3053\u308c\u3092\u7528\u3044\u308b\u3053\u3068\u3067\u6570meV\/atom\u7cbe\u5ea6\u3067\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u7d50\u679c\u3092\u518d\u73fe\u3059\u308bMD\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u304c\u53ef\u80fd\u3068\u306a\u308a\u307e\u3059\uff0e<\/span><\/p>\n<ul>\n<li><a href=\"https:\/\/github.com\/ryokbys\/nap\">nap<\/a> &#8212; MD\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u30d7\u30ed\u30b0\u30e9\u30e0<\/li>\n<li><a href=\"https:\/\/github.com\/ryokbys\/optzer\">optzer<\/a>\u00a0&#8212; \u539f\u5b50\u9593\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u30fb\u30d1\u30e9\u30e1\u30fc\u30bf\u6700\u9069\u5316\u30d7\u30ed\u30b0\u30e9\u30e0<\/li>\n<li><a href=\"https:\/\/joss.theoj.org\/papers\/10.21105\/joss.02768\">R. KOBAYASHI, J. Open Source Software, **6**(57), 2768 (2021).<\/a><\/li>\n<li><a href=\"https:\/\/aip.scitation.org\/doi\/10.1063\/5.0015373\">R. KOBAYASHI, et al., APL Materials **8**, 081111 (2020).<\/a><\/li>\n<\/ul>\n<p><span style=\"font-size: 12pt;\">\u30ad\u30fc\u30ef\u30fc\u30c9\uff1a\u539f\u5b50\u9593\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\uff0c\u30cb\u30e5\u30fc\u30e9\u30eb\u30fb\u30cd\u30c3\u30c8\u30ef\u30fc\u30af\u30fb\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb<\/span><\/p>\n<hr \/>\n<h2>\u975e\u925b\u7cfb\u5f37\u8a98\u96fb\u4f53\u306b\u304a\u3051\u308b\u5206\u6975\u69cb\u9020\u306e\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3<\/h2>\n<p><span style=\"font-size: 12pt;\"><img loading=\"lazy\" decoding=\"async\" class=\"size-medium wp-image-662 alignleft\" src=\"http:\/\/ogt.web.nitech.ac.jp\/wp-content\/uploads\/2023\/04\/Ferroelec_DW.jpg\" alt=\"\" width=\"300\" height=\"285\" \/>\u3000\u5f37\u8a98\u96fb\u4f53\u6750\u6599\u306f\uff0c\u305d\u306e\u81ea\u767a\u5206\u6975\u3084\u5727\u96fb\u6027\u3092\u6d3b\u304b\u3057\u3066\uff0c\u4e0d\u63ee\u767a\u6027\u30e1\u30e2\u30ea\u3084\u5727\u96fb\u7d20\u5b50\u306a\u3069\u306e\u5e45\u5e83\u3044\u7528\u9014\u306b\u5229\u7528\u3055\u308c\u3066\u3044\u307e\u3059\uff0e\u8fd1\u5e74\u3067\u306f\uff0c\u74b0\u5883\u914d\u616e\u306e\u4e00\u74b0\u3068\u3057\u3066\u925b\u30d5\u30ea\u30fc\u306e\u6750\u6599\u304c\u671b\u307e\u308c\u3066\u3044\u308b\u3053\u3068\u3092\u80cc\u666f\u306b\uff0c\u6750\u6599\u5185\u306e\u683c\u5b50\u6b20\u9665\u306a\u3069\u306e\u30ca\u30ce\u69cb\u9020\u3092\u6d3b\u7528\u3057\u305f\u975e\u925b\u7cfb\u5f37\u8a98\u96fb\u4f53\u6750\u6599\u306e\u6027\u80fd\u6539\u5584\u304c\u6ce8\u76ee\u3055\u308c\u3066\u3044\u307e\u3059\uff0e\u672c\u7814\u7a76\u5ba4\u3067\u306f\uff0c\u975e\u925b\u7cfb\u5f37\u8a98\u96fb\u4f53\u6750\u6599\u306e\u4e00\u3064\u3067\u3042\u308b\u30c1\u30bf\u30f3\u9178\u30d0\u30ea\u30a6\u30e0\u3092\u4e3b\u306a\u30bf\u30fc\u30b2\u30c3\u30c8\u3068\u3057\u3066\uff0c\u683c\u5b50\u6b20\u9665\u304c\u5206\u6975\u53cd\u8ee2\u73fe\u8c61\u306b\u53ca\u307c\u3059\u5f71\u97ff\u3084\uff0c\u81ea\u767a\u5206\u6975\u306e\u5411\u304d\u304c\u5207\u308a\u66ff\u308f\u308b\u754c\u9762\u3067\u3042\u308b\u5206\u6975\u30c9\u30e1\u30a4\u30f3\u58c1\u306e\u6027\u8cea\u306a\u3069\u3092\uff0c\u539f\u5b50\u30b9\u30b1\u30fc\u30eb\u306e\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u306b\u3088\u3063\u3066\u7814\u7a76\u3057\u3066\u3044\u307e\u3059\uff0e\u3053\u308c\u307e\u3067\u306b\uff0c\u30c1\u30bf\u30f3\u9178\u30d0\u30ea\u30a6\u30e0\u5185\u306eBa-O\u3084Ti-O\u30da\u30a2\u6b20\u9665\u304c\uff0c\u5206\u6975\u53cd\u8ee2\u306b\u5fc5\u8981\u306a\u96fb\u5834\u3092\u5927\u304d\u304f\u6e1b\u5c11\u3055\u305b\u308b\u3053\u3068\u3092\u767a\u898b\u3057\u307e\u3057\u305f\uff0e\u3055\u3089\u306b\uff0c\u5206\u6975\u30c9\u30e1\u30a4\u30f3\u58c1\u306e\u4e00\u7a2e\u3067\u3042\u308b90\u00b0 \u30c9\u30e1\u30a4\u30f3\u58c1\u3092\uff0c\u30c1\u30bf\u30f3\u9178\u30d0\u30ea\u30a6\u30e0\u306b\u5bfe\u3059\u308b\u6709\u9650\u6e29\u5ea6\u306e\u5206\u5b50\u52d5\u529b\u5b66\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u3067\u521d\u3081\u3066\u518d\u73fe\u3057\u307e\u3057\u305f\uff0e<\/span><\/p>\n<p><span style=\"font-size: 12pt;\">\u30ad\u30fc\u30ef\u30fc\u30c9\uff1a\u5206\u5b50\u52d5\u529b\u5b66\uff0c\u5f37\u8a98\u96fb\u4f53\u6750\u6599\uff0c\u683c\u5b50\u6b20\u9665\uff0c\u5206\u6975\u30c9\u30e1\u30a4\u30f3\u58c1<\/span><\/p>\n<p><a href=\"http:\/\/ogt.web.nitech.ac.jp\/?page_id=1001\">\u4ee5\u524d\u306e\u7814\u7a76\u5185\u5bb9<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u3053\u3053\u3067\u306f\u6211\u3005\u304c\u884c\u306a\u3063\u3066\u3044\u308b\u7814\u7a76\u3092\u7d39\u4ecb\u3057\u307e\u3059\uff0e ( English \u2192 Please see\u00a0Research\u00a0page for details. ) \u904e\u53bb\u306e\u8ad6\u6587\u3000\u3000\u3000\u2192\u3000\u7814\u7a76\u6210\u679c \u5352\u696d\u751f\u306e\u30c6\u30fc\u30de\u3000\u2192\u3000\u4fee\u58eb\u8ad6\u6587\uff0c\u5352\u696d\u8ad6\u6587 &#8230;<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":36,"menu_order":1,"comment_status":"closed","ping_status":"closed","template":"page_fullwidth.php","meta":{"footnotes":""},"class_list":["post-24","page","type-page","status-publish","hentry"],"aioseo_notices":[],"aioseo_head":"\n\t\t<!-- All in One SEO 5.0.4 - aioseo.com -->\n\t<meta name=\"robots\" content=\"max-image-preview:large\" \/>\n\t<link rel=\"canonical\" href=\"https:\/\/ogt.web.nitech.ac.jp\/?page_id=24\" \/>\n\t\t<meta name=\"generator\" content=\"All in One SEO (AIOSEO) 5.0.4\" \/>\n\t\t<meta property=\"og:locale\" content=\"ja_JP\" \/>\n\t\t<meta property=\"og:site_name\" content=\"Ogata Lab. | Department of Physical Science and Engineering, Nagoya Institute of Technology\" \/>\n\t\t<meta property=\"og:type\" content=\"article\" \/>\n\t\t<meta property=\"og:title\" 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