{"id":7465,"date":"2026-10-16T17:58:29","date_gmt":"2026-10-16T08:58:29","guid":{"rendered":"https:\/\/matlantis.com\/ja\/?post_type=calculation&#038;p=7465"},"modified":"2026-10-16T18:04:13","modified_gmt":"2026-10-16T09:04:13","slug":"large-scale-md-simulation-of-gan-aln-heteroepitaxial-thin-film-cracking-using-lightpfp","status":"publish","type":"calculation","link":"https:\/\/matlantis.com\/ja\/calculation\/large-scale-md-simulation-of-gan-aln-heteroepitaxial-thin-film-cracking-using-lightpfp\/","title":{"rendered":"LightPFP\u3092\u7528\u3044\u305fGaN\/AlN\u30d8\u30c6\u30ed\u30a8\u30d4\u30bf\u30ad\u30b7\u30e3\u30eb\u8584\u819c\u306e\u30af\u30e9\u30c3\u30af\u4f1d\u64ad\u306e\u5927\u898f\u6a21\u5206\u5b50\u52d5\u529b\u5b66\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3"},"content":{"rendered":"\n<h2 class=\"wp-block-heading\">\u30c6\u30fc\u30de\u6982\u8981<\/h2>\n\n\n\n<style>\nhtml[lang^=\"en\"] .fig1-ja{display:none;}\nhtml:not([lang^=\"en\"]) .fig1-en{display:none;}\n.fig1-ja,.fig1-en{max-width:600px;margin-left:auto;margin-right:auto;}\n.fig1-ja img,.fig1-en img{width:100%;height:auto;}\n<\/style>\n<figure class=\"wp-block-image size-full fig1-ja\"><img loading=\"lazy\" decoding=\"async\" width=\"700\" height=\"573\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2026\/10\/02_fig1_crack_concept.png\" alt=\"\" class=\"wp-image-7467\"\/><figcaption class=\"wp-element-caption\">\u56f31.GaN\/AlN\/\u57fa\u677f\u30d8\u30c6\u30ed\u69cb\u9020\u306b\u304a\u3051\u308b\u964d\u6e29\u306b\u3088\u308b\u30af\u30e9\u30c3\u30af\u767a\u751f\u306e\u6982\u5ff5\u56f3<\/figcaption><\/figure>\n\n\n\n<p class=\"wp-block-paragraph\">\u6b21\u4e16\u4ee3\u30d1\u30ef\u30fc\u30a8\u30ec\u30af\u30c8\u30ed\u30cb\u30af\u30b9\u3001\u901a\u4fe1\u30c7\u30d0\u30a4\u30b9\u3001\u304a\u3088\u3073UV LED\u306b\u304a\u3044\u3066\u3001AlN\u57fa\u677f\u4e0a\u306eGaN\u8584\u819c\u306f\u91cd\u8981\u306a\u6750\u6599\u7cfb\u3067\u3042\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3057\u304b\u3057\u3001\u30c7\u30d0\u30a4\u30b9\u4f5c\u88fd\u306b\u304a\u3051\u308b\u6839\u672c\u7684\u306a\u8ab2\u984c\u306e\u4e00\u3064\u3067\u3042\u308b\u30a8\u30d4\u30bf\u30ad\u30b7\u30e3\u30eb\u8584\u819c\u306b\u767a\u751f\u3059\u308b\u30af\u30e9\u30c3\u30af\uff08\u56f31\uff09\u306b\u3064\u3044\u3066\u306f\u3001\u300c\u30af\u30e9\u30c3\u30af\u306e\u8d77\u70b9\u306f\u3069\u3053\u304b\u300d\u300cAlN\u57fa\u677f\u306e\u9762\u65b9\u4f4d\u306f\u5f71\u97ff\u3059\u308b\u306e\u304b\u300d\u3068\u3044\u3046\u70b9\u304c\u5341\u5206\u306b\u7406\u89e3\u3055\u308c\u3066\u3044\u306a\u3044\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3053\u308c\u306f\u3001\u65e2\u5b58\u306e\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u624b\u6cd5\u3067\u306f\u5341\u5206\u306a\u4fe1\u983c\u6027\u3092\u3082\u3063\u3066\u89e3\u660e\u3067\u304d\u306a\u304b\u3063\u305f\u305f\u3081\u3067\u3042\u308b\u3002\u4f8b\u3048\u3070\u3001\u53e4\u5178Stillinger-Weber\uff08SW\uff09\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306f\u8a08\u7b97\u304c\u9ad8\u901f\u3067\u3042\u308b\u4e00\u65b9\u3001\u7279\u306b\u754c\u9762\u306b\u304a\u3051\u308b\u539f\u5b50\u9593\u76f8\u4e92\u4f5c\u7528\u306e\u7cbe\u5ea6\u304c\u4f4e\u3044\u3002\u3053\u308c\u306b\u5bfe\u3057PFP\u306f\u7cbe\u5ea6\u306e\u9762\u3067\u5927\u5e45\u306a\u6539\u5584\u3092\u3082\u305f\u3089\u3059\u3082\u306e\u306e\u3001\u6570\u4e07\u539f\u5b50\u898f\u6a21\u306e\u7cfb\u306b\u9650\u5b9a\u3055\u308c\u308b\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u30af\u30e9\u30c3\u30af\u73fe\u8c61\u3092\u9069\u5207\u306b\u30b7\u30df\u30e5\u30ec\u30fc\u30c8\u3059\u308b\u306b\u306f\u3001\u6838\u751f\u6210\u3060\u3051\u3067\u306a\u304f\u4f1d\u64ad\u3082\u518d\u73fe\u3067\u304d\u308b\u3001\u3088\u308a\u5927\u898f\u6a21\u306a\u7cfb\u304c\u5fc5\u8981\u3067\u3042\u308b\u3002\u305d\u3053\u3067\u672c\u7814\u7a76\u3067\u306f\u3001PFP\u3067\u751f\u6210\u3057\u305f\u30c7\u30fc\u30bf\u3068\u30a2\u30af\u30c6\u30a3\u30d6\u30e9\u30fc\u30cb\u30f3\u30b0\u3092\u7528\u3044\u3066\u3001GaN\/AlN\u7cfb\u5411\u3051\u306eLightPFP\uff08LPFP\uff09\u30e2\u30c7\u30eb\u3092\u958b\u767a\u3057\u305f\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3053\u308c\u306b\u3088\u308a\u3001PFP\u3068\u6bd4\u8f03\u3057\u3066\u5927\u898f\u6a21\u8a08\u7b97\u304c\u53ef\u80fd\u3068\u306a\u308a\u3001\u6570\u5341\u4e07\u539f\u5b50\u898f\u6a21\u306e\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u3092\u5b9f\u73fe\u3057\u305f\u3002\u3055\u3089\u306b\u3001LPFP\u304c\u5de5\u5b66\u7684\u306b\u610f\u7fa9\u306e\u3042\u308b\u30b9\u30b1\u30fc\u30eb\u306b\u304a\u3044\u3066PFP\u76f8\u5f53\u306e\u30af\u30e9\u30c3\u30af\u6838\u751f\u6210\u30fb\u4f1d\u64ad\u6319\u52d5\u3092\u518d\u73fe\u3067\u304d\u308b\u3053\u3068\u3092\u672c\u7814\u7a76\u3067\u5b9f\u8a3c\u3057\u305f\u3002\u307e\u305f\u30012\u7a2e\u985e\u306eAlN\u57fa\u677f\u9762\u65b9\u4f4d\u3092\u6bd4\u8f03\u691c\u8a0e\u3057\u305f\u7d50\u679c\u3001\u4e21\u8005\u304c\u672c\u8cea\u7684\u306b\u7570\u306a\u308b\u30af\u30e9\u30c3\u30af\u767a\u751f\u6a5f\u69cb\u3092\u793a\u3059\u3053\u3068\u3082\u660e\u3089\u304b\u306b\u306a\u3063\u305f\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">\u3053\u306e\u9762\u65b9\u4f4d\u4f9d\u5b58\u6027\u306f\u3001\u30c7\u30d0\u30a4\u30b9\u306b\u4f7f\u7528\u3055\u308c\u308bGaN\u8584\u819c\u306b\u304a\u3051\u308b\u30af\u30e9\u30c3\u30af\u6838\u751f\u6210\u306b\u76f4\u63a5\u7684\u306a\u5f71\u97ff\u3092\u4e0e\u3048\u308b\u3068\u8003\u3048\u3089\u308c\u308b\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-full fig1-en\"><img loading=\"lazy\" decoding=\"async\" width=\"700\" height=\"573\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2026\/10\/02_fig1_crack_concept.png\" alt=\"\" class=\"wp-image-7467\"\/><figcaption class=\"wp-element-caption\">\u56f31.GaN\/AlN\/\u57fa\u677f\u30d8\u30c6\u30ed\u69cb\u9020\u306b\u304a\u3051\u308b\u964d\u6e29\u306b\u3088\u308b\u30af\u30e9\u30c3\u30af\u767a\u751f\u306e\u6982\u5ff5\u56f3<\/figcaption><\/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<p>AlN\u306e\u9762\u65b9\u4f4d\u306e\u3046\u3061\u3001\u6975\u6027c\u9762(0001)\u3068\u975e\u6975\u6027a\u9762(11-20)\u3092\u5bfe\u8c61\u306b\u3057(\u56f32)\u3000<sup><\/sup>[1]\u3001\u7cfb\u30b5\u30a4\u30ba1\u00d71\u00d71 (Supercell)\u30012\u00d72\u00d71\u30013\u00d73\u00d71\u30015\u00d75\u00d71\u306e4\u6761\u4ef6\u306b\u5bfe\u3057(\u56f33) \u3001SW<sup><\/sup>[2]\u3001PFP\u3001LPFP\u306e3\u624b\u6cd5\u3092\u6bd4\u8f03\u3057\u305f\uff08\u305f\u3060\u3057PFP\u306b\u3064\u3044\u3066\u306f\u539f\u5b50\u6570\u306e\u5236\u7d04\u4e0a1\u00d71\u00d71\u306e\u307f\u3067\u3042\u308b\uff09\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">LPFP\u30e2\u30c7\u30eb\u306e\u5b66\u7fd2\u306b\u306fPFP\uff08v8.0.0\u3001r2scan\uff09\u306b\u3088\u308a\u751f\u6210\u3057\u305f\u30c7\u30fc\u30bf\u3092\u7528\u3044\u305f\u3002\u521d\u671f\u30c7\u30fc\u30bf\u30bb\u30c3\u30c8\u306f\u3001GaN\u304a\u3088\u3073AlN\u306e\u30a6\u30eb\u30c4\u9271\u578b\u30d0\u30eb\u30af\u69cb\u9020\u3068GaN\/AlN\u754c\u9762\u69cb\u9020\u304b\u3089\u5f97\u3089\u308c\u305f\u7d04300\u69cb\u9020\u3067\u69cb\u6210\u3057\u3001\u3055\u3089\u306b\u30a2\u30af\u30c6\u30a3\u30d6\u30e9\u30fc\u30cb\u30f3\u30b0\u306b\u3088\u3063\u3066\u7d04200\u69cb\u9020\u3092\u8ffd\u52a0\u3057\u305f\u3002\u5883\u754c\u6761\u4ef6\u306fx\u30fby\u65b9\u5411\u306b\u5468\u671f\u5883\u754c\u6761\u4ef6\u3092\u9069\u7528\u3057\u3001z\u65b9\u5411\u306f\u81ea\u7531\u8868\u9762\u3068\u3057\u305f\u3002<\/p>\n\n\n\n<p>\u30af\u30e9\u30c3\u30af\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u306b\u306fLAMMPS<sup><\/sup>[3]\u3092\u7528\u3044\u3001NPT\u30a2\u30f3\u30b5\u30f3\u30d6\u30eb\u3001300 K\u6761\u4ef6\u4e0b\u3067\u5b9f\u65bd\u3057\u305f\u3002\u7cfb\u30b5\u30a4\u30ba\u306f7,896\uff5e197,400\u539f\u5b50\u3067\u3042\u308a\u3001fix deform\u306b\u3088\u308ax\u65b9\u5411\u3078\u3072\u305a\u307f\u901f\u5ea60.002\uff5e0.2 ps<strong>\u207b\u00b9<\/strong>\u306e\u5909\u5f62\u3092\u4e0e\u3048\u305f\u3002<\/p>\n\n\n\n<p>\u30af\u30e9\u30c3\u30af\u767a\u751f\u306e\u30bf\u30a4\u30df\u30f3\u30b0\u3092\u5b9a\u91cf\u7684\u306b\u8a55\u4fa1\u3059\u308b\u305f\u3081\u3001OVITO<sup><\/sup>[4]\u3092\u7528\u3044\u305f\u591a\u9762\u4f53\u30c6\u30f3\u30d7\u30ec\u30fc\u30c8\u30de\u30c3\u30c1\u30f3\u30b0\u306b\u3088\u308a\u3001\u975e\u516d\u65b9\u6676\u539f\u5b50\u306e\u76f8\u5bfe\u5272\u5408(relative disorder fraction)\u3092\u7b97\u51fa\u3057\u305f\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-full is-resized\"><img loading=\"lazy\" decoding=\"async\" width=\"700\" height=\"283\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2026\/10\/03_fig2_AlN_orientation.png\" alt=\"\" class=\"wp-image-7468\" style=\"aspect-ratio:2.473633748801534;width:508px;height:auto\"\/><figcaption class=\"wp-element-caption\">\u56f32.\u5bfe\u8c61\u3068\u3057\u305f2\u3064\u306eAlN\u914d\u5411\u306e\u539f\u5b50\u69cb\u9020\uff1aa\u9762\uff08\u5de6\uff09\u304a\u3088\u3073c\u9762\uff08\u53f3\uff09<\/figcaption><\/figure>\n\n\n\n<figure class=\"wp-block-image size-full\"><img loading=\"lazy\" decoding=\"async\" width=\"1400\" height=\"363\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2026\/10\/04_fig3_supercell.png\" alt=\"\" class=\"wp-image-7469\"\/><figcaption class=\"wp-element-caption\">\u56f33.\u7cfb\u306e\u30b5\u30a4\u30ba\u4f9d\u5b58\u6027\u89e3\u6790\u306e\u305f\u3081\u306eGaN\/AlN\u30b9\u30fc\u30d1\u30fc\u30bb\u30eb\uff087,896\u539f\u5b50\uff5e197,400\u539f\u5b50\uff09<\/figcaption><\/figure>\n\n\n\n<h2 class=\"wp-block-heading\">\u8a08\u7b97\u7d50\u679c\u3068\u5c55\u671b<\/h2>\n\n\n\n<p class=\"wp-block-paragraph\">LPFP\u306b\u304a\u3051\u308b\u30af\u30e9\u30c3\u30af\u767a\u751f\u8d77\u70b9\u306fPFP\u3068\u826f\u597d\u306a\u4e00\u81f4\u3092\u793a\u3059\u4e00\u65b9\u3067\u3001SW\u3068\u306f\u5b9a\u6027\u30fb\u5b9a\u91cf\u7684\u306b\u7570\u306a\u308b\u50be\u5411\u3092\u793a\u3057\u305f(\u56f34)\u3002\u7279\u306b\u3001SW\u3067\u306f\u3072\u305a\u307f\u306e\u5c0f\u3055\u3044\u5f3e\u6027\u9818\u57df\u306b\u304a\u3044\u3066\u63fa\u3089\u304e\u304c\u898b\u3089\u308c\u308b\u304c\u3001\u3053\u306e\u6319\u52d5\u306fSW\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306e\u4e0d\u6b63\u78ba\u3055\u306b\u8d77\u56e0\u3059\u308b\u30a2\u30fc\u30c6\u30a3\u30d5\u30a1\u30af\u30c8\u3067\u3042\u308a\u3001\u7d50\u6676\u306e\u7269\u7406\u7684\u306a\u5b89\u5b9a\u6027\u3092\u53cd\u6620\u3059\u308b\u3082\u306e\u3067\u306f\u306a\u3044\u3068\u8003\u3048\u3089\u308c\u308b\u3002\u305f\u3060\u3057\u3001\u30af\u30e9\u30c3\u30af\u4f1d\u64ad\u306e\u6319\u52d5\u306fLPFP\u3068PFP\u306e\u9593\u3067\u3082\u7570\u306a\u308b\u3082\u306e\u306e\u3001\u6700\u7d42\u7684\u306b\u306f\u4e21\u624b\u6cd5\u3068\u3082\u975e\u516d\u65b9\u6676\u539f\u5b50\u306e\u76f8\u5bfe\u5272\u5408\u304c\u540c\u3058\u5024\u3067\u30d7\u30e9\u30c8\u30fc\u306b\u9054\u3057\u305f\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\"><br>\u3000\u3044\u305a\u308c\u306e\u529b\u5834\u306b\u304a\u3044\u3066\u3082\u3001\u30af\u30e9\u30c3\u30af\u306f\u7cfb\u306e\u30b5\u30a4\u30ba\u306b\u4f9d\u3089\u305a\u307b\u307c\u540c\u3058\u3072\u305a\u307f\u3067\u767a\u751f\u3057\u305f(\u56f35) \u3002\u30af\u30e9\u30c3\u30af\u4f1d\u64ad\u6319\u52d5\u306e\u5dee\u306f\u3001LPFP\u306b\u6bd4\u3079\u3066SW\u3067\u3088\u308a\u9855\u8457\u3067\u3042\u308a\u3001\u3053\u308c\u306fSW\u306e\u5f3e\u6027\u9818\u57df\u306b\u304a\u3051\u308b\u4e0d\u81ea\u7136\u306a\u63fa\u3089\u304e\u304c\u5f71\u97ff\u3057\u3066\u3044\u308b\u53ef\u80fd\u6027\u304c\u3042\u308b\u3002\u30b5\u30a4\u30ba\u304c\u5236\u9650\u3055\u308c\u305fPFP\u304a\u3088\u3073\u7cbe\u5ea6\u306b\u9650\u754c\u306e\u3042\u308bSW\u306b\u5bfe\u3057\u3066\u3001LPFP\u304c\u9ad8\u7cbe\u5ea6\u304b\u3064\u5927\u898f\u6a21\u306a\u8a08\u7b97\u53ef\u80fd\u306a\u3053\u3068\u304c\u793a\u3055\u308c\u305f\u3002\u306a\u304a\u3001Relative disorder fraction\u306f\u4e00\u5b9a\u9818\u57df\u306b\u5bfe\u3057\u3066\u300c\u5f53\u3072\u305a\u307f\u306e\u975e\u516d\u65b9\u6676\u539f\u5b50\u6570\u300d\u3092\u300c\u521d\u671f\u306e\u975e\u516d\u65b9\u6676\u539f\u5b50\u6570\u300d\u3067\u898f\u683c\u5316\u3057\u305f\u5272\u5408\u3067\u3042\u308b\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-full is-resized\"><img loading=\"lazy\" decoding=\"async\" width=\"967\" height=\"746\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2026\/10\/fig4.png\" alt=\"\" class=\"wp-image-7470\" style=\"aspect-ratio:1.2962788506829959;width:436px;height:auto\"\/><figcaption class=\"wp-element-caption\">\u56f34.LPFP\u3001PFP\u3001\u304a\u3088\u3073SW\uff08a\u9762\u30011\u00d71\u00d71\uff09\u306b\u304a\u3051\u308b\u975e\u516d\u65b9\u6676\u539f\u5b50\u306e\u76f8\u5bfe\u5272\u5408\u306e\u5909\u52d5\u3068\u3072\u305a\u307f\u306e\u95a2\u4fc2\u3002\u633f\u5165\u56f3\u306f\u3001SW\u306b\u898b\u3089\u308c\u308b\u5f3e\u6027\u9818\u57df\u3067\u306e\u30a2\u30fc\u30c6\u30a3\u30d5\u30a1\u30af\u30c8\u306a\u3086\u3089\u304e\u3092\u793a\u3057\u3066\u3044\u308b\u3002<\/figcaption><\/figure>\n\n\n\n<figure class=\"wp-block-image size-full\"><img loading=\"lazy\" decoding=\"async\" width=\"1326\" height=\"597\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2026\/10\/fig5.png\" alt=\"\" class=\"wp-image-7471\"\/><figcaption class=\"wp-element-caption\">\u56f35.\u975e\u516d\u65b9\u6676\u539f\u5b50\u306e\u76f8\u5bfe\u5272\u5408\u306b\u5bfe\u3059\u308b\u30b7\u30b9\u30c6\u30e0\u30b5\u30a4\u30ba\u306e\u5f71\u97ff\uff1aLPFP\uff08\u5de6\uff09\u306f\u4e00\u8cab\u3057\u305f\u30b9\u30b1\u30fc\u30ea\u30f3\u30b0\u3092\u793a\u3059\u4e00\u65b9\u3001SW\uff08\u53f3\uff09\u306f\u4e0d\u898f\u5247\u306a\u6319\u52d5\u3092\u793a\u3059\u3002<\/figcaption><\/figure>\n\n\n\n<p class=\"wp-block-paragraph\">a\u9762\u7cfb\u3067\u306f\u3001c\u9762\u7cfb\u306b\u6bd4\u3079\u3066\u3088\u308a\u5927\u304d\u306a\u3072\u305a\u307f\u306b\u9054\u3059\u308b\u307e\u3067\u30af\u30e9\u30c3\u30af\u306b\u3088\u308b\u5272\u308c\u304c\u751f\u3058\u306a\u3044\u3053\u3068\u304c\u5206\u304b\u3063\u305f(\u56f36)\u3002\u3053\u308c\u306fGaN\/AlN\u754c\u9762\u306e\u9055\u3044\u306b\u8d77\u56e0\u3059\u308b\u3082\u306e\u3067\u3042\u308a\u3001GaN\u30a8\u30d4\u30bf\u30ad\u30b7\u30e3\u30eb\u5c64\u306e\u4f5c\u88fd\u306b\u304a\u3044\u3066\u91cd\u8981\u306a\u77e5\u898b\u3067\u3042\u308b\u3002c\u9762\u7cfb\u3067\u306f\u754c\u9762\u306b\u7dda\u6b20\u9665\u304c\u5b58\u5728\u3057\u3066\u304a\u308a\u3001\u3072\u305a\u307f\u306e\u5897\u52a0\u306b\u4f34\u3063\u3066\u305d\u308c\u3089\u304c\u7e26(z)\u65b9\u5411\u306b\u6210\u9577\u3059\u308b\u3053\u3068\u3067\u30af\u30e9\u30c3\u30af\u304c\u751f\u6210\u3057\u7e26(z)\u65b9\u5411\u3078\u6210\u9577\u3057\u305f(\u56f37)\u3002\u3053\u308c\u306b\u5bfe\u3057\u3001a\u9762\u7cfb\u3067\u306f\u3001\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u521d\u671f\u306b\u306fGaN\u5c64\u5185\u306b\u70b9\u6b20\u9665\u304c\u5b58\u5728\u3059\u308b\u3082\u306e\u306e\u754c\u9762\u306b\u306f\u305d\u3046\u3057\u305f\u6b20\u9665\u304c\u5b58\u5728\u3057\u3066\u304a\u3089\u305a\u3001\u3072\u305a\u307f\u306b\u3088\u308b\u30af\u30e9\u30c3\u30af\u306f\u754c\u9762\u3067\u306f\u306a\u304f\u3001AlN\u5c64\u304b\u3089\u767a\u751f\u3057\u305f\u3002<\/p>\n\n\n\n<p class=\"wp-block-paragraph\">SW\u306e\u5f3e\u6027\u57df\u306b\u304a\u3051\u308b\u975e\u516d\u65b9\u6676\u539f\u5b50\u306e\u76f8\u5bfe\u5272\u5408\u306e\u5909\u52d5\u306b\u7740\u76ee\u3059\u308b\u3068\u3001\u521d\u671f\u754c\u9762\u306e\u8ee2\u4f4d\u69cb\u9020\u306f\u4e21\u624b\u6cd5\u3067\u540c\u4e00\u3067\u3042\u308b\u306b\u3082\u304b\u304b\u308f\u3089\u305a\u3001SW\u3067\u306f\u4e0d\u81ea\u7136\u306a\u5897\u6e1b\u304c\u898b\u3089\u308c\u308b\u3002\u3053\u308c\u306f\u3001SW\u306b\u304a\u3051\u308b\u30a8\u30cd\u30eb\u30ae\u30fc\u30e9\u30f3\u30c9\u30b9\u30b1\u30fc\u30d7\u306e\u4e0d\u6b63\u78ba\u306a\u30de\u30c3\u30d4\u30f3\u30b0\u306b\u8d77\u56e0\u3059\u308b\u30a2\u30fc\u30c6\u30a3\u30d5\u30a1\u30af\u30c8\u3067\u3042\u308a\u3001\u7d50\u6676\u5b89\u5b9a\u6027\u3092\u793a\u3059\u3082\u306e\u3067\u306f\u306a\u3044\u3002\u3053\u308c\u306b\u5bfe\u3057\u3001LPFP\u3067\u306f\u3053\u306e\u3088\u3046\u306a\u63fa\u3089\u304e\u306f\u898b\u3089\u308c\u305a\u3001PFP\u3068\u6574\u5408\u3059\u308b\u6319\u52d5\u3092\u793a\u3057\u305f\u3002\u3053\u306e\u7d50\u679c\u306f\u3001SW\u306b\u5bfe\u3059\u308bLPFP\u306e\u512a\u4f4d\u6027\u3092\u6539\u3081\u3066\u793a\u3059\u3082\u306e\u3067\u3042\u308b\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-full is-resized\"><img loading=\"lazy\" decoding=\"async\" width=\"918\" height=\"760\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2026\/10\/fig6.png\" alt=\"\" class=\"wp-image-7472\" style=\"aspect-ratio:1.2079005120702269;width:450px;height:auto\"\/><figcaption class=\"wp-element-caption\">\u56f36.\u30af\u30e9\u30c3\u30af\u767a\u751f\u306e\u914d\u5411\u4f9d\u5b58\u6027\uff1ac\u9762\u304a\u3088\u3073a\u9762\u306b\u304a\u3051\u308bLPFP\u3068SW\u306e\u6bd4\u8f03\uff08300 K\u30010.02 ps\u207b\u00b9\uff09<\/figcaption><\/figure>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"874\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2026\/10\/08_fig7_crack_propagation-1024x874.png\" alt=\"\" class=\"wp-image-7473\"\/><figcaption class=\"wp-element-caption\">\u56f37.LPFP\u3067\u306e\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u306b\u3088\u308b\u3001c\u9762\uff08\u5de6\uff09\u304a\u3088\u3073a\u9762\uff08\u53f3\uff09\u3067\u306e\u30af\u30e9\u30c3\u30af\u767a\u751f\u3068\u6210\u9577\uff08\u5b8c\u5168\u306a\u516d\u65b9\u6676\u306e\u539f\u5b50\u306f\u7701\u7565\uff09\u3002\u70b9\u7dda\u306fGaN\/AlN\u754c\u9762\u306e\u4f4d\u7f6e\u3092\u793a\u3059\u3002<\/figcaption><\/figure>\n\n\n\n<h2 class=\"wp-block-heading\">\u8a08\u7b97\u6761\u4ef6<\/h2>\n\n\n\n<figure class=\"wp-block-table\">\n<table style=\"border-collapse:collapse;width:100%;text-align:left;border:1px solid #9e9e9e;\">\n<thead>\n<tr style=\"background:#4285f4;color:#fff;\">\n<th style=\"padding:12px;border:2px solid #fff;width:40%;font-size:1.2em;font-weight:bold;\">\u9805\u76ee<\/th>\n<th style=\"padding:12px;border:2px solid #fff;font-size:1.2em;font-weight:bold;\">\u8a73\u7d30<\/th>\n<\/tr>\n<\/thead>\n<tbody>\n<tr style=\"background:#cfd5ea;\">\n<td style=\"padding:14px 12px;border:2px solid #fff;font-weight:normal;vertical-align:middle;\">Number of atoms<\/td>\n<td style=\"padding:14px 12px;border:2px solid #fff;font-weight:normal;vertical-align:middle;\">7,896 (1x1x1) to 197,400 (5x5x1) atoms; c-plane 189,039; a-plane 197,400<\/td>\n<\/tr>\n<tr style=\"background:#e9ebf5;\">\n<td style=\"padding:14px 12px;border:2px solid #fff;font-weight:normal;vertical-align:middle;\">Elements<\/td>\n<td style=\"padding:14px 12px;border:2px solid #fff;font-weight:normal;vertical-align:middle;\">Ga, N, Al (GaN on AlN, wurtzite structure)<\/td>\n<\/tr>\n<tr style=\"background:#cfd5ea;\">\n<td style=\"padding:14px 12px;border:2px solid #fff;font-weight:normal;vertical-align:middle;\">Potential<\/td>\n<td style=\"padding:14px 12px;border:2px solid #fff;font-weight:normal;vertical-align:middle;\">LightPFP, PFP (v8.0.0 r2scan), SW<\/td>\n<\/tr>\n<tr style=\"background:#e9ebf5;\">\n<td style=\"padding:14px 12px;border:2px solid #fff;font-weight:normal;vertical-align:middle;\">MD<\/td>\n<td style=\"padding:14px 12px;border:2px solid #fff;font-weight:normal;vertical-align:middle;\">LAMMPS<br>NPT: 0Pa 300K<br>p p f (periodic XY, free Z), reflective z-walls<br>deform x strain rate: 0.2, 0.02, 0.002 ps<sup>-1<\/sup><\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<\/figure>\n\n\n\n<h2 class=\"wp-block-heading\">\u53c2\u8003\u6587\u732e<\/h2>\n\n\n\n<p>[1] R. Li, G. Wu, K. Liang, S. Wang, X. Sun, X. Han, L. Xue, H. Li, S. Liu, Effect of AlN substrate orientation on GaN film quality, <em>Comp. Mat. Sci.<\/em> <strong>202<\/strong>, 110991 (2022).<\/p>\n<p>[2] H. Li, H. Xiang, H. Huang, Z. Zeng, X. Peng, Interface structure deformation mechanisms of AlN\/GaN multilayers. <em>Cer. Int.<\/em> <strong>46<\/strong>, 11556 (2020)\uff0e<\/p>\n<p>[3] A.P. Thompson et al., LAMMPS \u2014 A flexible simulation tool for particle-based materials modeling. <em>Comp. Phys. Comm.<\/em> <strong>271<\/strong>, 108171 (2022).<\/p>\n<p>[4] A. Stukowski, Visualization and analysis of atomistic simulation data with OVITO &#8211; the Open Visualization Tool, <em>Modelling Simul. Mater. Sci. Eng.<\/em> <strong>18<\/strong>, 015012 (2010).<\/p>\n\n\n\n<h2 class=\"wp-block-heading\">\u4e8b\u4f8b\u63d0\u4f9b\u8005\u30d7\u30ed\u30d5\u30a3\u30fc\u30eb<\/h2>\n\n\n\n<div class=\"company-profile\">\n  <div class=\"company-profile__content\">\n    <h2 class=\"company-profile__name\">\u6771\u30bd\u30fc\u682a\u5f0f\u4f1a\u793e<\/h2>\n  <\/div>\n  <div class=\"company-profile__media\">\n    <img decoding=\"async\" src=\"\/wp-content\/uploads\/2025\/03\/tosoh-corporation-logo.jpg\" alt=\"\u4f01\u696d\u30ed\u30b4\">\n  <\/div>\n<\/div>\n\n\n\n<p class=\"wp-block-paragraph\"><\/p>\n","protected":false},"featured_media":7466,"template":"","meta":{"_acf_changed":false},"calculation_category":[149,28],"class_list":["post-7465","calculation","type-calculation","status-publish","has-post-thumbnail","hentry","calculation_category-ceramics","calculation_category-semiconductors"],"acf":[],"_links":{"self":[{"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/calculation\/7465","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\/7466"}],"wp:attachment":[{"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/media?parent=7465"}],"wp:term":[{"taxonomy":"calculation_category","embeddable":true,"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/calculation_category?post=7465"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}