{"id":1608,"date":"2024-03-26T15:58:59","date_gmt":"2024-03-26T06:58:59","guid":{"rendered":"https:\/\/matlantis.com\/?post_type=calculation&#038;p=1608"},"modified":"2025-11-17T11:53:22","modified_gmt":"2025-11-17T02:53:22","slug":"ternary_phase_diagram","status":"publish","type":"calculation","link":"https:\/\/matlantis.com\/ja\/calculation\/ternary_phase_diagram\/","title":{"rendered":"\u4e09\u5143\u7cfb\u76f8\u56f3\u306e\u8a08\u7b97\u4e88\u6e2c"},"content":{"rendered":"\n<h2 class=\"wp-block-heading\">\u30c6\u30fc\u30de\u6982\u8981<\/h2>\n\n\n\n<p>\u7d50\u6676\u69cb\u9020\u3068\u3057\u3066\u8003\u3048\u3089\u308c\u308b\u5019\u88dc\u306f\u7121\u6570\u306b\u5b58\u5728\u3059\u308b\u4e00\u65b9\u3001\u305d\u308c\u3089\u306e\u4e2d\u3067\u73fe\u5b9f\u4e16\u754c\u306b\u5b58\u5728\u53ef\u80fd\u306a\u3082\u306e\u306f\u30a8\u30cd\u30eb\u30ae\u30fc\u7684\u306b\u5b89\u5b9a\u306a\u3082\u306e\u306b\u9650\u3089\u308c\u308b\u3002<br>\u305d\u306e\u305f\u3081\u3001\u65b0\u6750\u6599\u63a2\u7d22\u306b\u304a\u3044\u3066\u306f\u591a\u69d8\u306a\u7d50\u6676\u69cb\u9020\u9593\u306e\u30a8\u30cd\u30eb\u30ae\u30fc\u306e\u5e8f\u5217\u3092\u7cbe\u5ea6\u826f\u304f\u518d\u73fe\u3059\u308b\u3053\u3068\u304c\u6c42\u3081\u3089\u308c\u308b\u3002\u5f93\u6765\u306f\u96fb\u5b50\u72b6\u614b\u8a08\u7b97\u304c\u4f7f\u308f\u308c\u3066\u304d\u305f\u304c\u3001\u8a08\u7b97\u30b3\u30b9\u30c8\u306b\u5f8b\u901f\u3055\u308c\u5927\u898f\u6a21\u306a\u30b9\u30af\u30ea\u30fc\u30cb\u30f3\u30b0\u306e\u3088\u3046\u306a\u7528\u9014\u3067\u306e\u6d3b\u7528\u306f\u56f0\u96e3\u3067\u3042\u3063\u305f\u3002<br>\u3053\u306e\u4e8b\u4f8b\u3067\u306fPFP\u306e\u7d50\u6676\u69cb\u9020\u306b\u304a\u3051\u308b\u30a8\u30cd\u30eb\u30ae\u30fc\u306e\u7cbe\u5ea6\u3092\u8a55\u4fa1\u3059\u308b\u305f\u3081\u3001PFP\u3068DFT\u306e\u305d\u308c\u305e\u308c\u3067\u76f8\u56f3(0 K\u3067\u7d44\u6210\u6bd4\u306b\u6ce8\u76ee\u3057\u305f\u3082\u306e)\u3092\u63cf\u304d\u3001\u6bd4\u8f03\u3092\u884c\u3063\u305f\u3002<\/p>\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\">\n<p>\u76f8\u56f3\u306f\u3001\u5019\u88dc\u3068\u306a\u308b\u3059\u3079\u3066\u306e\u7d50\u6676\u69cb\u9020\u306e\u5f62\u6210\u30a8\u30cd\u30eb\u30ae\u30fc\u3092\u8a08\u7b97\u3057\u3001\u305d\u308c\u3089\u3092\u7d44\u6210\u6bd4-\u30a8\u30cd\u30eb\u30ae\u30fc\u306e\u5e73\u9762\u306b\u30d7\u30ed\u30c3\u30c8\u3059\u308b\u3053\u3068\u3067\u5f97\u308b\u3053\u3068\u304c\u3067\u304d\u308b\u3002<br>\u3053\u306e\u4e2d\u3067\u6700\u3082\u30a8\u30cd\u30eb\u30ae\u30fc\u306e\u4f4e\u3044\u70b9\u3092\u3064\u306a\u3044\u3060\u51f8\u5305(convex hull)\u3092\u3068\u3063\u305f\u3068\u304d\u3001\u51f8\u5305\u3092\u69cb\u6210\u3059\u308b\u70b9\u304c\u5b89\u5b9a\u69cb\u9020\u3001\u51f8\u5305\u3088\u308a\u3082\u4e0a\u306b\u4f4d\u7f6e\u3059\u308b\u70b9\u304c\u6e96\u5b89\u5b9a\u69cb\u9020\u3068\u306a\u308b\u3002(\u6e96\u5b89\u5b9a\u69cb\u9020\u306f\u3001\u76f8\u5206\u96e2\u3057\u3066\u51f8\u5305\u4e0a\u306e\u5b89\u5b9a\u69cb\u9020\u306b\u5909\u5316\u3057\u305f\u307b\u3046\u304c\u30a8\u30cd\u30eb\u30ae\u30fc\u7684\u306b\u5b89\u5b9a\u3002)<br>\u5143\u7d20\u304c3\u3064\u306e\u5834\u5408\u306f\u7d44\u6210\u6bd4\u304c2\u81ea\u7531\u5ea6\u3068\u306a\u308b\u305f\u30813\u6b21\u5143\u7a7a\u9593\u3001\u3088\u308a\u591a\u3044\u5834\u5408\u306b\u306f\u3055\u3089\u306b\u9ad8\u6b21\u5143\u306e\u7a7a\u9593\u3068\u306a\u308b\u3002\u3044\u305a\u308c\u306e\u5834\u5408\u3082\u540c\u69d8\u306b\u51f8\u5305\u3092\u3068\u308b\u3053\u3068\u3067\u5b89\u5b9a\u69cb\u9020\u3068\u6e96\u5b89\u5b9a\u69cb\u9020\u3092\u533a\u5225\u3059\u308b\u3053\u3068\u304c\u3067\u304d\u308b\u3002<\/p>\n<\/div>\n\n\n\n<div class=\"wp-block-column is-layout-flow wp-block-column-is-layout-flow\">\n<figure class=\"wp-block-image size-full\"><img loading=\"lazy\" decoding=\"async\" width=\"1946\" height=\"1438\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2024\/03\/figure2-1.jpg\" alt=\"\" class=\"wp-image-1611\"\/><\/figure>\n<\/div>\n<\/div>\n\n\n\n<h2 class=\"wp-block-heading\">\u8a08\u7b97\u7d50\u679c\u3068\u5c55\u671b<\/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\">\n<p>\u53f3\u56f3\u4e0a\u306fPFP\u3068DFT\u305d\u308c\u305e\u308c\u3067\u63cf\u753b\u3057\u305fNi-Ga-Nd 3\u5143\u7cfb\u306e\u76f8\u56f3\u3067\u3042\u308b\u3002\u9ed2\u306e\u70b9\u304c\u51f8\u5305\u4e0a\u306e\u69cb\u9020\u306b\u76f8\u5f53\u3059\u308b\u3002PFP\u3068DFT\u3067\u3088\u304f\u4f3c\u305f\u76f8\u56f3\u304c\u63cf\u3051\u3066\u3044\u308b\u3053\u3068\u304c\u308f\u304b\u308b\u3002<\/p>\n\n\n\n<p><br>\u53f3\u56f3\u4e0b\u306f\u30013\u5143\u7cfb\u307e\u3067\u306e\u3059\u3079\u3066\u306e\u5143\u7d20\u306e\u7d44\u307f\u5408\u308f\u305b\u306b\u5bfe\u3057\u3066\u76f8\u56f3\u3092\u63cf\u304d\u3001\u305d\u306e\u4e2d\u3067\u6e96\u5b89\u5b9a\u69cb\u9020\u3067\u3042\u3063\u305f\u3082\u306e\u306b\u3064\u3044\u3066\u51f8\u5305\u304b\u3089\u306e\u8ddd\u96e2(energy above hull)\u3092\u8a08\u7b97\u3057\u305f\u3082\u306e\u3067\u3042\u308b\u3002(\u56f3\u306flog-log plot\u3002)PFP\u3068DFT\u3067\u306e\u30a8\u30cd\u30eb\u30ae\u30fc\u306e\u305a\u308c\u306fMAE\u30670.0284 eV\/atom\u3067\u3042\u3063\u305f\u3002<\/p>\n<\/div>\n\n\n\n<div class=\"wp-block-column is-layout-flow wp-block-column-is-layout-flow\">\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"347\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2024\/03\/image2-1-1024x347.png\" alt=\"\" class=\"wp-image-1618\"\/><\/figure>\n\n\n\n<figure class=\"wp-block-image aligncenter size-large is-resized\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"977\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2024\/03\/Fig6_energy_above_hull-1024x977.jpg\" alt=\"\" class=\"wp-image-1631\" style=\"width:325px;height:310px\"\/><\/figure>\n<\/div>\n<\/div>\n\n\n\n<h2 class=\"wp-block-heading\">\u8a08\u7b97\u6761\u4ef6<\/h2>\n\n\n\n<figure class=\"wp-block-image aligncenter size-large is-resized\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"392\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2024\/03\/figure4-1-1024x392.png\" alt=\"\" class=\"wp-image-1613\" style=\"width:549px;height:209px\"\/><\/figure>\n\n\n\n<p><\/p>\n\n\n\n<p><\/p>\n\n\n\n<p><\/p>\n\n\n\n<p><\/p>\n\n\n\n<p><\/p>\n\n\n\n<p><\/p>\n\n\n\n<h2 class=\"wp-block-heading\"><strong>\u53c2\u8003\u6587\u732e<\/strong><\/h2>\n\n\n<small>[1] Materials Project.<\/small>\n\n<small><a href=\"https:\/\/next-gen.materialsproject.org\/\" rel=\"nofollow noopener\" target=\"_blank\">https:\/\/next-gen.materialsproject.org\/<\/a><\/small>","protected":false},"featured_media":1611,"template":"","meta":{"_acf_changed":false},"calculation_category":[149,148],"class_list":["post-1608","calculation","type-calculation","status-publish","has-post-thumbnail","hentry","calculation_category-ceramics","calculation_category-metals-and-alloys"],"acf":[],"_links":{"self":[{"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/calculation\/1608","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\/1611"}],"wp:attachment":[{"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/media?parent=1608"}],"wp:term":[{"taxonomy":"calculation_category","embeddable":true,"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/calculation_category?post=1608"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}