{"id":7013,"date":"2026-07-13T14:43:16","date_gmt":"2026-07-13T05:43:16","guid":{"rendered":"https:\/\/matlantis.com\/ja\/?post_type=calculation&#038;p=7013"},"modified":"2026-07-13T14:43:17","modified_gmt":"2026-07-13T05:43:17","slug":"interfacial-thermal-resistance-calculation-at-a-metalpolymer-interface","status":"publish","type":"calculation","link":"https:\/\/matlantis.com\/ja\/calculation\/interfacial-thermal-resistance-calculation-at-a-metalpolymer-interface\/","title":{"rendered":"\u91d1\u5c5e-\u30dd\u30ea\u30de\u30fc\u63a5\u5408\u69cb\u9020\u306b\u304a\u3051\u308b\u754c\u9762\u71b1\u62b5\u6297\u8a08\u7b97"},"content":{"rendered":"\n<h2 class=\"wp-block-heading\">\u30c6\u30fc\u30de\u6982\u8981\uff08\u80cc\u666f\uff09<\/h2>\n\n\n\n<p>\u754c\u9762\u71b1\u62b5\u6297\u306f\u3001\u534a\u5c0e\u4f53\u3001\u30d1\u30ef\u30fc\u30a8\u30ec\u30af\u30c8\u30ed\u30cb\u30af\u30b9\u3001\u4e8c\u6b21\u96fb\u6c60\u306a\u3069\u69d8\u3005\u306a\u5206\u91ce\u3067\u91cd\u8981\u3068\u306a\u308b\u7269\u6027\u3067\u3059\u3002\u91d1\u5c5e-\u91d1\u5c5e\u754c\u9762\u3001\u91d1\u5c5e-\u30dd\u30ea\u30de\u30fc\u754c\u9762\u306a\u3069\u6750\u6599\u7a2e\u306e\u7d44\u307f\u5408\u308f\u305b\u306f\u591a\u5c90\u306b\u308f\u305f\u308a\u307e\u3059\u304c\u3001\u7279\u306b\u8fd1\u5e74\u306f\u3001\u534a\u5c0e\u4f53\u7523\u696d\u306e\u5f8c\u5de5\u7a0b\uff08\u30d1\u30c3\u30b1\u30fc\u30b8\u30f3\u30b0\uff09\u306b\u304a\u3051\u308b\u30b5\u30fc\u30de\u30eb\u30de\u30cd\u30b8\u30e1\u30f3\u30c8\u306e\u91cd\u8981\u6027\u304c\u9ad8\u307e\u308b\u4e2d\u3067\u3001\u57fa\u677f\u4e0a\u306e\u30dd\u30ea\u30de\u30fc\u306e\u71b1\u7269\u6027\u3092\u6b63\u78ba\u306b\u628a\u63e1\u3059\u308b\u89b3\u70b9\u304b\u3089\u95a2\u5fc3\u3092\u96c6\u3081\u3066\u3044\u307e\u3059\u3002<\/p>\n\n\n\n<p>\u5f93\u6765\u3001\u754c\u9762\u71b1\u62b5\u6297\u306e\u8a55\u4fa1\u306b\u306f\u53e4\u5178\u529b\u5834\u304c\u7528\u3044\u3089\u308c\u3066\u304d\u307e\u3057\u305f\u304c\u3001\u7570\u7a2e\u6750\u6599\u754c\u9762\u306b\u304a\u3051\u308b\u8907\u96d1\u306a\u5316\u5b66\u7d50\u5408\u3092\u6b63\u78ba\u306b\u8a18\u8ff0\u3059\u308b\u3053\u3068\u304c\u56f0\u96e3\u3067\u3042\u308a\u3001\u4e88\u6e2c\u7cbe\u5ea6\u306b\u306f\u9650\u754c\u304c\u3042\u308a\u307e\u3057\u305f\u3002Matlantis\u3092\u7528\u3044\u308b\u3068\u3001\u5143\u7d20\u7a2e\u3092\u554f\u308f\u305a\u3001\u754c\u9762\u306e\u63a5\u7740\u6027\u3092\u8003\u616e\u3057\u305f\u3046\u3048\u3067\u8a08\u7b97\u3092\u5b9f\u884c\u3067\u304d\u307e\u3059\u3002\u672c\u4e8b\u4f8b\u3067\u306f\u3001\uff12\u7a2e\u985e\u306e\u91d1\u5c5e\u57fa\u677f\uff08Au, Ni\uff09\u3068PMMA\u306e\u63a5\u7740\u754c\u9762\u306e\u30e2\u30c7\u30ea\u30f3\u30b0\u65b9\u6cd5\u3068\u3001\u754c\u9762\u71b1\u62b5\u6297\u306e\u691c\u8a3c\u7d50\u679c\u3092\u5831\u544a\u3057\u307e\u3059\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"485\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2026\/07\/interfacial-thermal-resistance-calculation-at-a-metalpolymer-interface-1-1024x485.png\" alt=\"\" class=\"wp-image-7016\"\/><\/figure>\n\n\n\n<h2 class=\"wp-block-heading\">\u8a08\u7b97\u30e2\u30c7\u30eb\u3068\u8a08\u7b97\u65b9\u6cd5<\/h2>\n\n\n\n<div class=\"wp-block-columns is-layout-flex wp-container-core-columns-is-layout-28f84493 wp-block-columns-is-layout-flex\">\n<div class=\"wp-block-column is-layout-flow wp-block-column-is-layout-flow\" style=\"flex-basis:33.33%\">\n<figure class=\"wp-block-image aligncenter size-full\"><img loading=\"lazy\" decoding=\"async\" width=\"261\" height=\"480\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2026\/07\/interfacial-thermal-resistance-calculation-at-a-metalpolymer-interface-2.gif\" alt=\"\" class=\"wp-image-7017\"\/><figcaption class=\"wp-element-caption\">\u56f31. PFP\u3068\u53e4\u5178\u529b\u5834\u3092\u7d44\u307f\u5408\u308f\u305b\u305f\u63a5\u7740\u69cb\u9020\u306e\u9ad8\u901f\u306a\u30e2\u30c7\u30ea\u30f3\u30b0<\/figcaption><\/figure>\n<\/div>\n\n\n\n<div class=\"wp-block-column is-layout-flow wp-block-column-is-layout-flow\" style=\"flex-basis:66.66%\">\n<p>\u672c\u8a08\u7b97\u3067\u306f\u3001\u63a5\u7740\u69cb\u9020\u306e\u30e2\u30c7\u30ea\u30f3\u30b0\u3092\u9ad8\u901f\u5316\u3059\u308b\u305f\u3081\u306b\u3001\u5206\u5b50\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u30bd\u30d5\u30c8\u30a6\u30a7\u30a2OpenMM\u306b\u5b9f\u88c5\u3055\u308c\u3066\u3044\u308b\u53e4\u5178\u529b\u5834\u3068ASECalculator\u306e\u9023\u643a\u6a5f\u80fd\u3092\u7528\u3044\u307e\u3057\u305f\u3002\u4ee5\u4e0b\u306e\u624b\u9806\u306b\u5f93\u3044\u3001\u91d1\u5c5e\u306e\u30b9\u30e9\u30d6\u30e2\u30c7\u30eb\u3068\u30dd\u30ea\u30de\u30fc(PMMA, 5\u91cf\u4f53)\u306e\u63a5\u5408\u30e2\u30c7\u30eb\u3092\u4f5c\u6210\u3057\u307e\u3057\u305f\u3002<\/p>\n\n\n\n<ol class=\"wp-block-list\">\n<li>\u30dd\u30ea\u30de\u30fc\u306e\u76ee\u6a19\u5bc6\u5ea6\u306e80%\u306b\u5230\u9054\u3059\u308b\u307e\u3067\u3001\u53e4\u5178\u529b\u5834\u3067MD\u8a08\u7b97\u3092\u5b9f\u884c\u3057\u307e\u3057\u305f(\u30dd\u30ea\u30de\u30fc\u306fGAFF2\u529b\u5834\u3001\u91d1\u5c5e\u539f\u5b50\u306f\u56fa\u5b9a\u3057\u3001\u30dd\u30ea\u30de\u30fc\u30fb\u91d1\u5c5e\u9593\u306fLJ\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u3092\u9069\u7528\uff09\u3002<\/li>\n\n\n\n<li>\u754c\u9762\u3067\u306e\u63a5\u7740\u6027\u3092\u9ad8\u7cbe\u5ea6\u306b\u8a08\u7b97\u3059\u308b\u305f\u3081\u3001\u6b8b\u308a20%\u306e\u5727\u7e2e\u306fPFP\/MM\u624b\u6cd5\u306b\u5207\u308a\u66ff\u3048\u307e\u3057\u305f\u3002PFP\u9818\u57df\u306f\u754c\u9762\u8fd1\u508d\u3001MM\u9818\u57df\u306f\u305d\u308c\u4ee5\u5916\u306e\u9818\u57df\u3067\u3059\u3002<\/li>\n<\/ol>\n\n\n\n<p>PFP\/MM\u5883\u754c\u3067\u306fPFP\u306e\u8996\u70b9\u3067\u306f\u5916\u5074\u304c\u771f\u7a7a\u306b\u898b\u3048\u308b\u305f\u3081\u3001\uff12\u3064\u306e\u5de5\u592b\u3092\u5165\u308c\u307e\u3057\u305f\u3002\u30dd\u30ea\u30de\u30fc\u5074\u306f\u5883\u754c\u304c\u5171\u6709\u7d50\u5408\u3092\u5207\u65ad\u3059\u308b\u305f\u3081\u3001Link Atom\u6cd5\u3067\u5207\u65ad\u7d50\u5408\u306e\u5148\u306b\u4eee\u60f3\u6c34\u7d20\u3092\u4ed8\u52a0\u3057\u3001PFP\u306b\u59a5\u5f53\u306a\u7d50\u5408\u74b0\u5883\u3092\u898b\u305b\u307e\u3059\u3002\u3053\u306e\u539f\u5b50\u306fMD\u306e\u66f4\u65b0\u306b\u306f\u5229\u7528\u3055\u308c\u307e\u305b\u3093\u3002\u91d1\u5c5e\u5074\u306fPFP\u9818\u57df\u306e\u5916\u5074\u306bPFP\u306b\u306f\u898b\u3048\u308b\u304c\u52d5\u304b\u3055\u306a\u3044\u30d0\u30c3\u30d5\u30a1\u5c64\u3092\u8a2d\u3051\u3001\u5883\u754c\u306e\u539f\u5b50\u304c\u30d0\u30eb\u30af\u91d1\u5c5e\u3092\u898b\u3066\u81ea\u7136\u306a\u529b\u304c\u52a0\u308f\u308b\u3088\u3046\u306b\u3057\u307e\u3057\u305f\u3002\u53e4\u5178\u8a08\u7b97\u306e\u6bb5\u968e\u3067\u306f\u30dd\u30ea\u30de\u30fc\u30fb\u91d1\u5c5e\u9593\u306b\u5316\u5b66\u7d50\u5408\u306f\u5f62\u6210\u3055\u308c\u307e\u305b\u3093\u304c\u3001PFP\/MM \u306b\u5207\u308a\u66ff\u308f\u308b\u3068\u4e21\u8005\u304c\u63a5\u7740\u3057\u307e\u3059\uff08\u56f31\u53c2\u7167\uff09\u3002<\/p>\n\n\n\n<p>\u8a08\u7b97\u306f\u3001Matlantis\u4e0a\u3067\u8a66\u9a13\u7684\u306b\u5b9f\u88c5\u3055\u308c\u3066\u3044\u308bGPU\u30ce\u30fc\u30c8\u30d6\u30c3\u30af\u30a4\u30f3\u30b9\u30bf\u30f3\u30b9\u3067\u5b9f\u884c\u3057\u307e\u3057\u305f\u3002\u3053\u308c\u306b\u3088\u308a\u3001\u53e4\u5178\u529b\u5834\u306e\u8a08\u7b97\u3092GPU\u3067\u9ad8\u901f\u5316\u3057\u3001\u6642\u9593\u306e\u304b\u304b\u308bPFP\u9818\u57df\u306e\u8a08\u7b97\u3092\u30b5\u30a4\u30ba\u524a\u6e1b\u306b\u3088\u308a\u77ed\u7e2e\u3067\u304d\u308b\u305f\u3081\u3001PFP\u5358\u72ec\u3067\u306f\u6570\u65e5\u8981\u3059\u308b\u3053\u3068\u3082\u3042\u3063\u305f\u5727\u7e2e\u8a08\u7b97\u309230\u5206\u7a0b\u5ea6\u3067\u5b8c\u4e86\u3059\u308b\u3053\u3068\u304c\u3067\u304d\u307e\u3057\u305f\u3002\u3053\u306e\u624b\u6cd5\u3092\u7528\u3044\u3066\u30013000\u539f\u5b50\u7a0b\u5ea6\u306eAu, Ni\/PMMA\u30e2\u30c7\u30eb\u304a\u3088\u3073\u65ad\u9762\u7a4d\u306e\u5927\u304d\u30447000\u539f\u5b50\u7a0b\u5ea6\u306eAu,Ni\/PMMA\u30e2\u30c7\u30eb\u306e\u8a084\u901a\u308a\u306e\u30e2\u30c7\u30eb\u3092\u9ad8\u901f\u306b\u4f5c\u6210\u3057\u307e\u3057\u305f\u3002<\/p>\n<\/div>\n<\/div>\n\n\n\n<h2 class=\"wp-block-heading\">\u8a08\u7b97\u7d50\u679c\u3068\u5c55\u671b \u2460<\/h2>\n\n\n\n<p>\u5f97\u3089\u308c\u305f\u63a5\u7740\u69cb\u9020\u306b\u5bfe\u3057\u3001Matlantis-LAMMPS\u30a4\u30f3\u30bf\u30fc\u30d5\u30a7\u30fc\u30b9\u3092\u7528\u3044\u3066\u3001\u69cb\u9020\u6700\u9069\u5316\u2192NPT\u2192NVT\u8a08\u7b97\u306b\u3088\u308b\u5e73\u8861\u5316\u51e6\u7406\u3092\u65bd\u3057\u305f\u5f8c\u3001\u91d1\u5c5e\u5074\u306b\u9ad8\u6e29\u71b1\u6d74\uff08350K\uff09\u3001\u30dd\u30ea\u30de\u30fc\u5074\u306b\u4f4e\u6e29\u71b1\u6d74\uff08250K\uff09\u3092\u8a2d\u5b9a\u3057\u3066500ps\u306e\u975e\u5e73\u8861\u5206\u5b50\u52d5\u529b\u5b66\uff08NEMD\uff09\u8a08\u7b97\u3092\u5b9f\u884c\u3057\u307e\u3057\u305f\u3002NEMD\u8a08\u7b97\u3067\u306f\u5168\u539f\u5b50\u306bPFP\u3092\u5272\u308a\u5f53\u3066\u307e\u3057\u305f\u3002\u5f97\u3089\u308c\u305f\u30b9\u30ca\u30c3\u30d7\u30b7\u30e7\u30c3\u30c8\u306b\u5bfe\u3057\u3001\u7cfb\u3092\u71b1\u6d41\u65b9\u5411\u306b\u6cbf\u3063\u3066\u591a\u6570\u306e\u30b9\u30e9\u30d6\u306b\u533a\u5207\u308a\u3001\u5404\u30b9\u30e9\u30d6\u5185\u306e\u904b\u52d5\u30a8\u30cd\u30eb\u30ae\u30fc\u304b\u3089\u5b9a\u7fa9\u3057\u305f\u5e73\u5747\u6e29\u5ea6\u3092\u65ad\u9762\u6e29\u5ea6\u3068\u3057\u307e\u3057\u305f\u3002\u71b1\u6d74\u9818\u57df\u3092\u9664\u3044\u305f\u91d1\u5c5e\u5074\u30fb\u30dd\u30ea\u30de\u30fc\u5074\u305d\u308c\u305e\u308c\u306e\u30d0\u30eb\u30af\u71b1\u4f1d\u5c0e\u9818\u57df\u3092\u7dda\u5f62\u30d5\u30a3\u30c3\u30c8\u3057\u3001\u754c\u9762\u4f4d\u7f6e\u3078\u5916\u633f\u3057\u305f\u4e0d\u9023\u7d9a\u5206\u3092\u754c\u9762\u6e29\u5ea6\u30b8\u30e3\u30f3\u30d7\u0394T\u3068\u5b9a\u7fa9\u3057\u307e\u3057\u305f\u3002\u7d50\u679c\u304c\u56f32\u3067\u3059\u3002\u3053\u306e\u7d50\u679c\u304b\u3089\u4ee5\u4e0b\u304c\u8aad\u307f\u53d6\u308c\u307e\u3059\uff1a<\/p>\n\n\n\n<p>&#8211;<strong>Ni\u306b\u6bd4\u3079Au\u306e\u6e29\u5ea6\u30b8\u30e3\u30f3\u30d7\u306f\u5927\u304d\u3044<\/strong>\uff08Au ~ 22K\u306b\u5bfe\u3057Ni ~ 10-13K\uff09\u3002\u3053\u308c\u306fPMMA\u3068\u91d1\u5c5e\u306e\u63a5\u5408\u6027\u306e\u9055\u3044\u3092\u793a\u5506\u3057\u3066\u3044\u307e\u3059\u3002\u5b9f\u969b\u3001Au\u306f\u4e3b\u306b\u5206\u6563\u529b\u76f8\u4e92\u4f5c\u7528\u3067\u5438\u7740\u3057\u3066\u304a\u308a\u3001\u754c\u9762\u306e\u71b1\u8f38\u9001\u304c\u5236\u9650\u3055\u308c\u308b\u3053\u3068\u304c\u3053\u306e\u5dee\u306b\u53cd\u6620\u3055\u308c\u3066\u3044\u308b\u3068\u89e3\u91c8\u3067\u304d\u307e\u3059\u3002<\/p>\n\n\n\n<p>&#8211;<strong>\u5c0f\u578b\u30e2\u30c7\u30eb\u3068\u5927\u578b\u30e2\u30c7\u30eb\u3067\u307b\u307c\u540c\u7b49\u306e\u6e29\u5ea6\u30b8\u30e3\u30f3\u30d7\u304c\u5f97\u3089\u308c\u307e\u3057\u305f<\/strong>\uff08Au:21.9 vs 22.6K\u3001Ni:10.3 vs 12.6K\uff09\u3002\u754c\u9762\u7269\u6027\u304c\u6a2a\u65ad\u9762\u30b5\u30a4\u30ba\u306b\u5bfe\u3057\u3066\u53ce\u675f\u3057\u3066\u3044\u308b\u3053\u3068\u3092\u610f\u5473\u3057\u3001\u8a08\u7b97\u6642\u9593\u3092\u7bc0\u7d04\u3057\u305f\u3044\u5834\u5408\u306f\u5c0f\u578b\u30e2\u30c7\u30eb\u3067\u3082\u59a5\u5f53\u306a\u63a8\u5b9a\u306b\u6d3b\u7528\u3067\u304d\u308b\u3053\u3068\u3092\u793a\u5506\u3057\u307e\u3059\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image aligncenter size-full\"><img loading=\"lazy\" decoding=\"async\" width=\"1320\" height=\"1080\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2026\/07\/interfacial-thermal-resistance-calculation-at-a-metalpolymer-interface-3.png\" alt=\"\" class=\"wp-image-7018\"\/><figcaption class=\"wp-element-caption\">\u56f32. Au\/PMMA\u3068Ni\/PMMA\u306e\u6e29\u5ea6\u5206\u5e03\u3068\u754c\u9762\u6e29\u5ea6\u30b8\u30e3\u30f3\u30d7<\/figcaption><\/figure>\n\n\n\n<h2 class=\"wp-block-heading\">\u8a08\u7b97\u7d50\u679c\u3068\u5c55\u671b \u2461<\/h2>\n\n\n\n<p>\u307e\u305f\u3001\uff14\u30e2\u30c7\u30eb\u306b\u304a\u3051\u308b\u754c\u9762\u71b1\u62b5\u6297\uff08\u30ab\u30d4\u30c3\u30c4\u30a1\u62b5\u6297\uff09\u3092\u4ee5\u4e0b\u306e\u7269\u7406\u5f0f\u306b\u57fa\u3065\u3044\u3066\u7b97\u51fa\u3057\u307e\u3057\u305f\u3002<\/p>\n\n\n\n<div class=\"wp-block-mathml-mathmlblock\">$$R_{\\text{K}} = \\frac{\\Delta T}{(J\/A)} \\quad [\\text{m}^2\\text{K}\\text{W}^{-1}]$$<script src=\"https:\/\/matlantis.com\/wp-includes\/js\/dist\/hooks.min.js?ver=dd5603f07f9220ed27f1\" id=\"wp-hooks-js\"><\/script>\n<script src=\"https:\/\/matlantis.com\/wp-includes\/js\/dist\/i18n.min.js?ver=c26c3dc7bed366793375\" id=\"wp-i18n-js\"><\/script>\n<script id=\"wp-i18n-js-after\">\nwp.i18n.setLocaleData( { 'text direction\\u0004ltr': [ 'ltr' ] } );\n\/\/# sourceURL=wp-i18n-js-after\n<\/script>\n<script  async src=\"https:\/\/cdnjs.cloudflare.com\/ajax\/libs\/mathjax\/2.7.7\/MathJax.js?config=TeX-MML-AM_CHTML\" id=\"mathjax-js\"><\/script>\n<\/div>\n\n\n\n<p>\u3053\u3053\u3067J\u306f\u754c\u9762\u3092\u901a\u904e\u3059\u308b\u71b1\u6d41[W]\u3001A\u306f\u754c\u9762\u65ad\u9762\u7a4d[m<sup>2<\/sup>]\u3067\u3059\u3002\u7d50\u679c\u3001\u5404\u30e2\u30c7\u30eb\u306e\u71b1\u62b5\u6297\u5024\u306f\u88681\u306e\u3088\u3046\u306b\u306a\u308a\u307e\u3057\u305f\u3002Au\/PMMA\u306e\u754c\u9762\u71b1\u62b5\u6297\u306e\u5b9f\u9a13\u5024\u306f16.9\u00d710<sup>-9<\/sup> m<sup>2<\/sup>K\/W\u3068\u5831\u544a\u3055\u308c\u3066\u304a\u308a\u3001\u8a08\u7b97\u5024\u306f\u5b9f\u9a13\u5024\u306e\u7d041\/2\u3068\u306a\u3063\u3066\u3044\u307e\u3059[1]\u3002\u5b9f\u9a13\u306e\u754c\u9762\u306b\u306f\u6c5a\u67d3\u3084\u7c97\u3055\u304c\u542b\u307e\u308c\u308b\u306e\u306b\u5bfe\u3057\u3001\u672c\u8a08\u7b97\u306f\u6e05\u6d44\u306a\u7406\u60f3\u754c\u9762\u3092\u6271\u3063\u3066\u3044\u308b\u305f\u3081\u3001\u5b9f\u9a13\u3088\u308a\u71b1\u3092\u901a\u3057\u3084\u3059\u3044\uff08\u71b1\u62b5\u6297\u304c\u5c0f\u3055\u3044\uff09\u7d50\u679c\u306b\u306a\u308b\u306e\u306f\u81ea\u7136\u306a\u5e30\u7d50\u3067\u3059\u3002\u307e\u305f\u540c\u3058\u6587\u732e[1]\u3067\u306f\u71b1\u4f1d\u5c0e\u6027\u3092\u9ad8\u3081\u308b\u305f\u3081\u306bAu\u3068PMMA\u306e\u9593\u306b\u539a\u30552nm\u306eNi\u5c64\u3092\u633f\u5165\u3059\u308b\u3068\u754c\u9762\u71b1\u30b3\u30f3\u30c0\u30af\u30bf\u30f3\u30b9\uff08\u754c\u9762\u71b1\u62b5\u6297\u306e\u9006\u6570\uff09\u304c\u7d20\u306eAu\/PMMA\u754c\u9762\u306e2.4\u500d\u306b\u5411\u4e0a\u3059\u308b\u3068\u5831\u544a\u3055\u308c\u3066\u3044\u307e\u3059\u3002\u672c\u8a08\u7b97\u3067\u3082Ni\u306e\u71b1\u62b5\u6297\u5024\u306f\u76f8\u5bfe\u7684\u306b\u4f4e\u304f\u306a\u3063\u3066\u304a\u308a\u3001\u3053\u306e\u7d50\u679c\u3068\u3082\u6574\u5408\u3057\u3066\u3044\u307e\u3059\u3002\u306a\u304a\u3001Ni\u306f\u754c\u9762\u62b5\u6297\u304c\u5c0f\u3055\u304f\u0394T\u304c\u5c0f\u3055\u3044\u305f\u3081\u3001Au\u306b\u6bd4\u3079\u7b97\u51fa\u5024\u306e\u4e0d\u78ba\u304b\u3055\u306f\u5927\u304d\u3081\u3067\u3059\u3002<\/p>\n\n\n\n<p>\u4ee5\u4e0a\u3001OpenMM\u306b\u3088\u308b\u9ad8\u901f\u306a\u754c\u9762\u30e2\u30c7\u30ea\u30f3\u30b0\u3068\u754c\u9762\u71b1\u62b5\u6297\u7b97\u51fa\u306e\u7d50\u679c\u3092\u304a\u793a\u3057\u3057\u307e\u3057\u305f\u3002\u754c\u9762\u7269\u6027\u306f\u69d8\u3005\u306a\u7523\u696d\u9818\u57df\u3067\u8ab2\u984c\u3068\u306a\u308b\u91cd\u8981\u306a\u7269\u6027\u306e\uff11\u3064\u3067\u3059\u3002Matlantis\u306f\u73fe\u5b9f\u7684\u306a\u754c\u9762\u3092\u30c1\u30e5\u30fc\u30cb\u30f3\u30b0\u306a\u3057\u3067\u6271\u3048\u308b\u512a\u308c\u305f\u7279\u6027\u3092\u5099\u3048\u3066\u3044\u307e\u3059\u3002\u3053\u306e\u30e2\u30c7\u30ea\u30f3\u30b0\u65b9\u6cd5\u306f\u754c\u9762\u71b1\u62b5\u6297\u8a08\u7b97\u3060\u3051\u3067\u306f\u306a\u304f\u3001\u754c\u9762\u306e\u5f15\u5f35\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u306a\u3069\u306b\u3082\u6d3b\u7528\u3067\u304d\u3001\u69d8\u3005\u306a\u5fdc\u7528\u304c\u751f\u307e\u308c\u308b\u3053\u3068\u3092\u671f\u5f85\u3057\u3066\u3044\u307e\u3059\u3002<\/p>\n\n\n\n<p class=\"has-text-align-center\">\u88681. Au\/PMMA\u3068Ni\/PMMA\u306e\u754c\u9762\u71b1\u62b5\u6297<\/p>\n\n\n\n<figure style=\"margin-top:0;margin-bottom:0\" class=\"wp-block-table\"><table class=\"has-fixed-layout\"><tbody><tr><td class=\"has-text-align-center\" data-align=\"center\">\u30e2\u30c7\u30eb(\u91d1\u5c5e\/\u30dd\u30ea\u30de\u30fc)<\/td><td class=\"has-text-align-center\" data-align=\"center\"><strong>\u754c\u9762\u71b1\u62b5\u6297 R<sub>K<\/sub> [m\u00b2 K W\u207b\u00b9]<\/strong><\/td><\/tr><tr><td class=\"has-text-align-center\" data-align=\"center\">Au\/PMMA (small)<\/td><td class=\"has-text-align-center\" data-align=\"center\">7.9 \u00d7 10\u207b\u2079<\/td><\/tr><tr><td class=\"has-text-align-center\" data-align=\"center\">Au\/PMMA (large)<\/td><td class=\"has-text-align-center\" data-align=\"center\">7.5 \u00d7 10\u207b\u2079<\/td><\/tr><tr><td class=\"has-text-align-center\" data-align=\"center\">Ni\/PMMA (small)<\/td><td class=\"has-text-align-center\" data-align=\"center\">~ 2 \u00d7 10\u207b\u2079<\/td><\/tr><tr><td class=\"has-text-align-center\" data-align=\"center\">Ni\/PMMA (large)<\/td><td class=\"has-text-align-center\" data-align=\"center\">~ 5 \u00d7 10\u207b\u2079<\/td><\/tr><\/tbody><\/table><\/figure>\n\n\n\n<h2 class=\"wp-block-heading\">\u8a08\u7b97\u6761\u4ef6<\/h2>\n\n\n\n<figure class=\"wp-block-table\"><table><tbody><tr><td class=\"has-text-align-center\" data-align=\"center\">\u8a08\u7b97\u6761\u4ef6<\/td><td class=\"has-text-align-center\" data-align=\"center\"><strong>\u8a73\u7d30<\/strong><\/td><\/tr><tr><td class=\"has-text-align-center\" data-align=\"center\">PFP model version<\/td><td class=\"has-text-align-center\" data-align=\"center\">v9.0.0<\/td><\/tr><tr><td class=\"has-text-align-center\" data-align=\"center\">calc_mode<\/td><td class=\"has-text-align-center\" data-align=\"center\">r2scan_plus_d3<\/td><\/tr><tr><td class=\"has-text-align-center\" data-align=\"center\">\u7cfb\u306e\u30b5\u30a4\u30ba<\/td><td class=\"has-text-align-center\" data-align=\"center\">Au\/PMMA:3,497\u539f\u5b50\u30017,754\u539f\u5b50<br>Ni\/PMMA:3,703\u539f\u5b50\u30017,406\u539f\u5b50<\/td><\/tr><tr><td class=\"has-text-align-center\" data-align=\"center\">\u8a08\u7b97\u6642\u9593<\/td><td class=\"has-text-align-center\" data-align=\"center\">\u30e2\u30c7\u30ea\u30f3\u30b0\uff1a30\u5206\u7a0b\u5ea6\uff08Matlantis GPU\u30ce\u30fc\u30c8\u30d6\u30c3\u30af\u3092\u5229\u7528\uff09<br>NEMD\u8a08\u7b97\uff1a\u5c0f\u898f\u6a21\u30e2\u30c7\u30eb \uff12\u65e5\u7a0b\u5ea6\u3001\u5927\u898f\u6a21\u30e2\u30c7\u30eb \uff14\u65e5\u7a0b\u5ea6<\/td><\/tr><tr><td class=\"has-text-align-center\" data-align=\"center\">MD\u8a08\u7b97\u6761\u4ef6<\/td><td class=\"has-text-align-center\" data-align=\"center\">\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u6642\u9593 = 500 ps, timestep = 1 fs<\/td><\/tr><tr><td class=\"has-text-align-center\" data-align=\"center\">\u6e29\u5ea6\u8a2d\u5b9a<\/td><td class=\"has-text-align-center\" data-align=\"center\">\u9ad8\u6e29\u71b1\u6d74\uff08\u91d1\u5c5e\u5074\uff09\uff1a350 K, \u4f4e\u6e29\u71b1\u6d74\uff08\u30dd\u30ea\u30de\u30fc\u5074\uff09\uff1a250 K<\/td><\/tr><tr><td class=\"has-text-align-center\" data-align=\"center\">\u30a2\u30f3\u30b5\u30f3\u30d6\u30eb<\/td><td class=\"has-text-align-center\" data-align=\"center\">\u5e73\u8861\u5316\uff1a\u69cb\u9020\u6700\u9069\u5316\u2192NPT\u2192NVT\uff08300K\uff09<br>\u672c\u8a08\u7b97\uff08NEMD\uff09\uff1aNVE + \u71b1\u6d74\u9818\u57df\u306e\u307fLangevin\u30b5\u30fc\u30e2\u30b9\u30bf\u30c3\u30c8<\/td><\/tr><\/tbody><\/table><\/figure>\n\n\n\n<h2 class=\"wp-block-heading\">\u53c2\u8003\u6587\u732e<\/h2>\n\n\n\n<p>[1] S. Sandell et al., Nanomaterials 10, 670 (2020). <a href=\"https:\/\/doi.org\/10.3390\/nano10040670\" rel=\"nofollow noopener\" target=\"_blank\">https:\/\/doi.org\/10.3390\/nano10040670<\/a><\/p>\n\n\n\n<p><\/p>\n","protected":false},"featured_media":7021,"template":"","meta":{"_acf_changed":false},"calculation_category":[45,163],"class_list":["post-7013","calculation","type-calculation","status-publish","has-post-thumbnail","hentry","calculation_category-adhesives","calculation_category-interfacial-thermal-resistance"],"acf":[],"_links":{"self":[{"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/calculation\/7013","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/calculation"}],"about":[{"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/types\/calculation"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/media\/7021"}],"wp:attachment":[{"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/media?parent=7013"}],"wp:term":[{"taxonomy":"calculation_category","embeddable":true,"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/calculation_category?post=7013"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}