{"id":225,"date":"2022-03-22T09:00:00","date_gmt":"2022-03-22T09:00:00","guid":{"rendered":"https:\/\/matlantis.com\/?post_type=calculation&#038;p=225"},"modified":"2025-11-25T15:35:02","modified_gmt":"2025-11-25T06:35:02","slug":"molecular-dynamics-calculations-of-magnesium-ion-conducting-oxides","status":"publish","type":"calculation","link":"https:\/\/matlantis.com\/ja\/calculation\/molecular-dynamics-calculations-of-magnesium-ion-conducting-oxides\/","title":{"rendered":"\u30de\u30b0\u30cd\u30b7\u30a6\u30e0\u30a4\u30aa\u30f3\u5c0e\u96fb\u6027\u9178\u5316\u7269\u306e\u5206\u5b50\u52d5\u529b\u5b66\u8a08\u7b97"},"content":{"rendered":"<div class=\"calculation-imagebox\">\n\t<div 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\/>\n\u00a0<br \/>\n\u4eca\u56de\u3001\u9ad8\u901f\u304b\u3064\u9ad8\u7cbe\u5ea6\u306aMatlantis\u3092\u4f7f\u3063\u3066\u3001\u6bd4\u8f03\u7684\u5927\u304d\u306a\u69cb\u9020\u30e2\u30c7\u30eb\u3092\u7528\u3044\u3001\u30de\u30b0\u30cd\u30b7\u30a6\u30e0\u30a4\u30aa\u30f3\u306e\u4f1d\u5c0e\u6027\u3092\u8a55\u4fa1\u3057\u307e\u3057\u305f\u3002<\/p>\n<\/p>\n\t<\/div>\n\t<div class=\"calculation-imagebox-image\">\n\t\t<figure><img decoding=\"async\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2022\/03\/\u4e8b\u4f8b2_\u753b\u50cf_\u65e5\u672c\u8a9e.png\" alt=\"image\"><\/figure>\n\t<\/div>\n<\/div>\n\n<div class=\"calculation-imagebox\">\n\t<div class=\"calculation-imagebox-texts\">\n\t\t<h2>\u8a08\u7b97\u30e2\u30c7\u30eb\u3068\u8a08\u7b97\u65b9\u6cd5<\/h2>\n\t\t<p><p>\u6bd4\u8f03\u7684\u9ad8\u3044Mg\u30a4\u30aa\u30f3\u4f1d\u5c0e\u6027\u3092\u6709\u3059\u308b\u30bb\u30e9\u30df\u30c3\u30af\u30b9\u6750\u6599 MgZr<sub>4<\/sub>(PO<sub>4<\/sub>)<sub>6<\/sub>[1,2]\u306b\u5bfe\u3057\u3066\u3001Matlantis\u3092\u7528\u3044\u305f\u5206\u5b50\u52d5\u529b\u5b66\uff08MD\uff09\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u3092\u884c\u3044\u307e\u3057\u305f\u3002\u8d85\u69cb\u9020\u30e2\u30c7\u30eb\u3092\u9069\u7528\u3057\u30012240\u539f\u5b50\u30e2\u30c7\u30eb\u3068\u306a\u308bMg<sub>64<\/sub>Zr<sub>384<\/sub>P<sub>256<\/sub>O<sub>1536<\/sub>\u306e\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u30bb\u30eb\u3092\u69cb\u7bc9\u3057\u3001\u69cb\u9020\u7de9\u548c\u3092\u5b9f\u884c\u3057\u3066\u683c\u5b50\u4f53\u7a4d\u3092\u6c7a\u5b9a\u3057\u307e\u3059\u3002NVT\u30a2\u30f3\u30b5\u30f3\u30d6\u30eb\uff08\u4f53\u7a4d\u4e00\u5b9a\uff09\u3092\u9069\u5fdc\u3057\u3001\u6e29\u5ea6\u306f1073 K\u306e\u6761\u4ef6\u3067MD\u8a08\u7b97\u3092\u5b9f\u65bd\u3057\u307e\u3057\u305f\u3002<\/p>\n<\/p>\n\t<\/div>\n\t<div class=\"calculation-imagebox-image\">\n\t\t<figure><img decoding=\"async\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2022\/03\/\u8a08\u7b97\u30e2\u30c7\u30eb\u3068\u8a08\u7b97\u65b9\u6cd5_\u8868.png\" alt=\"image\"><\/figure>\n\t<\/div>\n<\/div>\n\n<div class=\"calculation-imagebox\">\n\t<div class=\"calculation-imagebox-texts\">\n\t\t<h2>\u8a08\u7b97\u7d50\u679c\u3068\u5c55\u671b<\/h2>\n\t\t<p><p>\u6700\u521d\u306b\u7b2c\u4e00\u539f\u7406\u5206\u5b50\u52d5\u529b\u5b66\u6cd5\u304c\u9069\u7528\u53ef\u80fd\u306a\u30b5\u30a4\u30ba\u306e\u30bb\u30eb(280\u539f\u5b50)\u3092\u7528\u3044\u3066\u3001Matlantis\u306b\u3088\u308bMD\u8a08\u7b97\u306e\u7d50\u679c\u3092\u6bd4\u8f03\u3057\u307e\u3057\u305f\u3002\u5177\u4f53\u7684\u306b\u306f\u3001\u69cb\u6210\u3059\u308b\u30a4\u30aa\u30f3\u9593\u306e\u7d50\u5408\u9577\u5206\u5e03\u3092\u53cd\u6620\u3059\u308b\u52d5\u5f84\u5206\u5e03\u95a2\u6570\uff08RDF\uff09\u3068\u3001Matlantis\u306b\u3088\u308bMD\u3067\u51fa\u529b\u3055\u308c\u305f\u5404\u6642\u523b\u306b\u304a\u3051\u308b\u30b9\u30ca\u30c3\u30d7\u30b7\u30e7\u30c3\u30c8\u69cb\u9020\u306e\u30a8\u30cd\u30eb\u30ae\u30fc\u5024\u3067\u8a55\u4fa1\u3057\u307e\u3057\u305f\u3002\u4e21\u8005\u3067\u975e\u5e38\u306b\u826f\u3044\u4e00\u81f4\u304c\u78ba\u8a8d\u3055\u308c\u3001Matlantis\u304c\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u3068\u540c\u7a0b\u5ea6\u306e\u9ad8\u3044\u7cbe\u5ea6\u3067\u306e\u8a08\u7b97\u3092\u5b9f\u73fe\u3057\u3066\u3044\u308b\u3053\u3068\u304c\u78ba\u8a8d\u3055\u308c\u307e\u3057\u305f\u3002<\/p>\n<p>\u4ee5\u4e0a\u3092\u8e0f\u307e\u3048\u3066\u3001Mg\u30a4\u30aa\u30f3\u306e\u62e1\u6563\u8a55\u4fa1\u3092Matlantis\u3067\u5b9f\u65bd\u3057\u307e\u3057\u305f\u3002\u8a2d\u5b9a\u6e29\u5ea6\u30921073 K, \u683c\u5b50\u30b5\u30a4\u30ba\u30922240\u3068\u3057\u3066\u5206\u5b50\u52d5\u529b\u5b66\u6cd5\u3092\u884c\u3063\u305f\u3068\u3053\u308d\u3001MSD\u30d7\u30ed\u30d5\u30a1\u30a4\u30eb\u304b\u3089\u660e\u77ad\u306aMg\u30a4\u30aa\u30f3\u306e\u62e1\u6563\u304c\u5f97\u3089\u308c\u3001\u5341\u5206\u306a\u7d71\u8a08\u7cbe\u5ea6\u3067\u62e1\u6563\u4fc2\u6570\u3092\u8a55\u4fa1\u3067\u304d\u308b\u3053\u3068\u304c\u5206\u304b\u308a\u307e\u3057\u305f\u3002<\/p>\n<p>\u7b2c\u4e00\u539f\u7406\u5206\u5b50\u52d5\u529b\u5b66\u8a08\u7b97\u3067\u306f\u30e2\u30c7\u30eb\u683c\u5b50\u304cMg<sub>8<\/sub>Zr<sub>32<\/sub>P<sub>48<\/sub>O<sub>192<\/sub>\uff08\u539f\u5b50\u6570280\u30b1\uff09\u3068\u306a\u308a\u91cf\u5b50\u529b\u5b66\u8a08\u7b97\u3092\u3059\u308b\u5bfe\u8c61\u3068\u3057\u3066\u306f\u6bd4\u8f03\u7684\u5927\u304d\u306a\u30e2\u30c7\u30eb\u3067\u3042\u308a\u306a\u304c\u3089Mg\u306f\u308f\u305a\u304b\u306b8\u30b1\u3057\u304b\u542b\u307e\u308c\u306a\u3044\u305f\u3081\u3001\u30db\u30c3\u30d4\u30f3\u30b0\u30a4\u30d9\u30f3\u30c8\u3092\u89b3\u6e2c\u3059\u308b\u305f\u3081\u306b\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u6e29\u5ea6\u30921573~1973 K\u306b\u8a2d\u5b9a\u3057\u3066\u8a55\u4fa1\u3059\u308b\u5fc5\u8981\u304c\u3042\u308a\u307e\u3057\u305f\u304c[2]\u3001Matlantis\u3067\u306f\u30e2\u30c7\u30eb\u683c\u5b50\u30b5\u30a4\u30ba\u3001\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u6642\u9593\u3092\u5341\u5206\u306b\u5927\u304d\u304f\u3067\u304d\u308b\u305f\u3081\u3001\u4f7f\u7528\u6e29\u5ea6\u306b\u3088\u308a\u8fd1\u3044\u8a2d\u5b9a\u3067\u3082\u5341\u5206\u306a\u7d71\u8a08\u7cbe\u5ea6\u3067\u30b7\u30df\u30e5\u30ec\u30fc\u30b7\u30e7\u30f3\u304c\u53ef\u80fd\u306b\u306a\u308a\u307e\u3057\u305f\u3002<\/p>\n<\/p>\n\t<\/div>\n\t<div class=\"calculation-imagebox-image\">\n\t\t<figure><img decoding=\"async\" src=\"https:\/\/matlantis.com\/wp-content\/uploads\/2022\/03\/\u8a08\u7b97\u7d50\u679c\u3068\u5c55\u671b_\u56f3-3.png\" alt=\"image\"><\/figure>\n\t<\/div>\n<\/div>\n\n\n<h2 class=\"wp-block-heading\">  \u53c2\u8003\u6587\u732e <\/h2>\n\n\n<small>[1] N. Imanaka, Y. Okazaki and G. Adachi, \u201cDivalent Magnesium Ionic Conduction in Mg1-2x(Zr1-xNbx)4P6O24 (x = 0-0.4) Solid Solutions\u201d, Electrochem. Solid-State Lett., 3, 327-329 (2000)<\/small>\n\n<small><a href=\"https:\/\/iopscience.iop.org\/article\/10.1149\/1.1391138\" rel=\"nofollow noopener\" target=\"_blank\">https:\/\/iopscience.iop.org\/article\/10.1149\/1.1391138<\/a><\/small>\n\n<small>[2] K. Nakano, Y. Noda, N. Tanibata, M. Nakayama, K. Kajihara, K. Kanamura, Computational investigation of the Mg-ion conductivity and phase stability of MgZr4(PO4)6u, RSC adv., 9, 12590 (2019)<\/small>\n\n<small><a href=\"https:\/\/pubs.rsc.org\/en\/content\/articlelanding\/2019\/ra\/c9ra00513g\" rel=\"nofollow noopener\" target=\"_blank\">https:\/\/pubs.rsc.org\/en\/content\/articlelanding\/2019\/ra\/c9ra00513g<\/a><\/small>\n\n\n<h2 class=\"wp-block-heading\">\u4e8b\u4f8b\u63d0\u4f9b\u8005\u30d7\u30ed\u30d5\u30a3\u30fc\u30eb<\/h2>\n\n\n\n<!-- \u30d7\u30ed\u30d5\u30a3\u30fc\u30eb\u7d39\u4ecb -->\n          <div class=\"company-profile\">\n            <div class=\"company-profile__content\">\n              <h2 class=\"company-profile__name\">\u540d\u53e4\u5c4b\u5de5\u696d\u5927\u5b66\u3000\u4e2d\u5c71\u7814\u7a76\u5ba4<\/h2>\n            <\/div>\n            <div class=\"company-profile__media\">\n              <img decoding=\"async\" src=\"\/wp-content\/uploads\/2022\/08\/N_1-3.png\" alt=\"\u4f01\u696d\u30ed\u30b4\">\n            <\/div>\n          <\/div>\n          <!-- \u3053\u3053\u307e\u3067\u3000\u30d7\u30ed\u30d5\u30a3\u30fc\u30eb\u7d39\u4ecb -->\n","protected":false},"featured_media":258,"template":"","meta":{"_acf_changed":true},"calculation_category":[10],"class_list":["post-225","calculation","type-calculation","status-publish","has-post-thumbnail","hentry","calculation_category-batteries"],"acf":[],"_links":{"self":[{"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/calculation\/225","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\/258"}],"wp:attachment":[{"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/media?parent=225"}],"wp:term":[{"taxonomy":"calculation_category","embeddable":true,"href":"https:\/\/matlantis.com\/ja\/wp-json\/wp\/v2\/calculation_category?post=225"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}