{"id":99774,"date":"2017-09-02T06:30:27","date_gmt":"2017-09-01T22:30:27","guid":{"rendered":"\/\/m.iemloyee.com\/?p=99774"},"modified":"2017-09-02T09:39:29","modified_gmt":"2017-09-02T01:39:29","slug":"acta-mater%ef%bc%9a%e7%ac%ac%e4%b8%80%e6%80%a7%e5%8e%9f%e7%90%86%e6%8f%ad%e7%a4%baal%e6%8e%ba%e6%9d%82crmnfeconi%e9%ab%98%e7%86%b5%e5%90%88%e9%87%91%e7%9a%84%e7%9b%b8%e9%80%89%e6%8b%a9%e8%a7%84","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=99774","title":{"rendered":"Acta Mater\uff1a\u7b2c\u4e00\u6027\u539f\u7406\u63ed\u793aAl\u63ba\u6742CrMnFeCoNi\u9ad8\u71b5\u5408\u91d1\u7684\u76f8\u9009\u62e9\u89c4\u5f8b"},"content":{"rendered":"<p>\u3010\u5f15\u8a00\u3011<\/p>\n<p>\u81ea\u9ad8\u71b5\u5408\u91d1\u7684\u6982\u5ff5\u63d0\u51fa\u540e\uff0c\u7814\u7a76\u4eba\u5458\u6839\u636e\u9ad8\u71b5\u7406\u8bba\u5f00\u53d1\u51fa\u4e86\u4f17\u591a\u9ad8\u71b5\u5408\u91d1\u4f53\u7cfb\u3002\u76f8\u6bd4\u4e8e\u4f20\u7edf\u5408\u91d1\uff0c\u9ad8\u71b5\u5408\u91d1\u5177\u6709\u4f18\u5f02\u4e14\u53ef\u8c03\u8282\u7684\u6027\u80fd\uff0c\u6709\u671b\u8fd0\u7528\u4e8e\u5f88\u591a\u9886\u57df\u3002\u5176\u4e2d\uff0c\u5178\u578b\u7684\u9ad8\u71b5\u5408\u91d1CrMnFeCoNi\u4ee5\u5176\u4f18\u5f02\u7684\u6297\u62c9\u5f3a\u5ea6\u3001\u4f4e\u6e29\u65ad\u88c2\u97e7\u6027\u548c\u8f83\u9ad8\u7684\u5ba4\u6e29\u4e34\u754c\u5206\u5207\u5e94\u529b\u7b49\u4f18\u52bf\u5f97\u5230\u4e86\u5e7f\u6cdb\u7684\u5173\u6ce8\u3002\u7136\u800c\uff0c\u76ee\u524d\u5bf9CrMnFeCoNi\u57fa\u9ad8\u71b5\u5408\u91d1\u7684\u76f8\u7a33\u5b9a\u6027\u3001\u673a\u68b0\u6027\u80fd\u548c\u78c1\u6027\u80fd\u7684\u7406\u8bba\u7814\u7a76\u975e\u5e38\u6709\u9650\u3002<\/p>\n<p><strong>\u3010\u6210\u679c\u7b80\u4ecb\u3011<\/strong><\/p>\n<p>\u65e5\u524d\uff0c<strong>\u897f\u5b89\u4ea4\u901a\u5927\u5b66\u526f\u6559\u6388\u5f20\u534e\u78ca\uff08\u901a\u8baf\u4f5c\u8005\uff09<\/strong>\u5728<strong>Acta Materialia<\/strong>\u4e0a\u53d1\u8868\u4e86\u4e00\u7bc7\u540d\u4e3a<strong>Phase selection rule for Al-doped CrMnFeCoNi high-entropy alloys from firstprinciples<\/strong>\u7684\u6587\u7ae0\u3002\u7814\u7a76\u4eba\u5458\u91c7\u7528\u7b2c\u4e00\u6027\u539f\u7406\u7684\u65b9\u6cd5\uff0c\u7814\u7a76\u4e86\u53cc\u76f8\uff08fcc\u4e0ebcc\uff09\u987a\u78c1Al<em><sub>x<\/sub><\/em>CrMnFeCoNi (0 \u2264 x \u2264 5)\u9ad8\u71b5\u5408\u91d1\u7684\u76f8\u7a33\u5b9a\u6027\u548c\u78c1\u6027\u80fd\u3002\u7814\u7a76\u8868\u660e\uff0c\u5408\u91d1\u7684\u6676\u683c\u5e38\u6570\u968fx\u7684\u589e\u52a0\u800c\u7a33\u5b9a\u589e\u5927\uff0cAl\u5143\u7d20\u7684\u52a0\u5165\u964d\u4f4e\u4e86fcc\u7ed3\u6784\u7684\u7a33\u5b9a\u6027\uff0c\u6676\u4f53\u7ed3\u6784\u9010\u6e10\u4ecefcc\u8f6c\u53d8\u4e3abcc\u3002bcc\u7ed3\u6784\u7684\u78c1\u6027\u8f6c\u53d8\u6e29\u5ea6\u968fx\u7684\u589e\u52a0\u800c\u6025\u5267\u964d\u4f4e\uff0c\u800cfcc\u7ed3\u6784\u7684\u78c1\u6027\u8f6c\u53d8\u6e29\u5ea6\u5bf9\u6210\u5206\u4e0d\u592a\u654f\u611f\u3002\u548cAl<em><sub>x<\/sub><\/em>CrFeCoNi\u76f8\u6bd4\uff0c\u6dfb\u52a0\u7b49\u539f\u5b50\u6bd4\u7684Mn\u5143\u7d20\u4f1a\u51cf\u5c0ffcc\u76f8\u7684\u7a33\u5b9a\u533a\u95f4\u540c\u65f6\u5728\u4e00\u5b9a\u7a0b\u5ea6\u4e0a\u6291\u5236bcc\u76f8\u7684\u51fa\u73b0\uff0c\u56e0\u6b64\u6709\u5229\u4e8e3d\u65cf\u91d1\u5c5e\u57fa\u9ad8\u71b5\u5408\u91d1\u53cc\u76f8\u533a\u7684\u5f62\u6210\u3002<\/p>\n<p><strong>\u3010\u56fe\u6587\u5bfc\u8bfb\u3011<\/strong><\/p>\n<p><strong>\u56fe<\/strong><strong>1<\/strong><strong>\uff1a\u5e73\u8861<\/strong><strong>Wigner-Seitz<\/strong><strong>\u534a\u5f84\u4ee5\u53ca\u4e24\u76f8\u7ed3\u6784\u80fd\u5dee\u4e0e<\/strong><strong>Al<\/strong><strong>\u542b\u91cf\u7684\u5173\u7cfb<\/strong><\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-99775\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/09\/\u56fe1-1.jpg\" alt=\"\" width=\"600\" height=\"675\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/09\/\u56fe1-1.jpg 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/09\/\u56fe1-1-267x300.jpg 267w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>\u56fe\u7247\u4e0a\u534a\u90e8\u5206\u8868\u793a\u7406\u8bba\u548c\u5b9e\u9a8c\u7684\u5e73\u8861Wigner-Seitz\u534a\u5f84(w, in Bohr)\u4e0eAl\u542b\u91cf\u7684\u5173\u7cfb\uff1b\u56fe\u7247\u4e0b\u534a\u90e8\u5206\u8868\u793aAlxCrMnFeCoNi\u4e2d\u987a\u78c1bcc\u548cfcc\u7684\u7ed3\u6784\u80fd\u4e4b\u5dee\u3002<\/p>\n<p>\u7531\u56fe\u53ef\u77e5\uff0c\u6676\u80de\u5c3a\u5bf8\u7684\u7406\u8bba\u503c\u4e0e\u5b9e\u9a8c\u503c\u57fa\u672c\u4e00\u81f4\u3002<\/p>\n<p><strong>\u56fe2\uff1abcc\u548cfcc\u57280K\u65f6\u7684\u7406\u8bba\u5c40\u57df\u78c1\u77e9\u4e0eAl\u542b\u91cf\u7684\u5173\u7cfb<\/strong><\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-99776\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/09\/2-3.jpg\" alt=\"\" width=\"600\" height=\"471\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/09\/2-3.jpg 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/09\/2-3-300x236.jpg 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>\u5b9e\u5fc3\u70b9\u8fde\u7ebf\u8868\u793abcc\u7684\u7406\u8bba\u5c40\u57df\u78c1\u77e9\uff1b\u7a7a\u5fc3\u70b9\u8fde\u7ebf\u8868\u793afcc\u7684\u7406\u8bba\u5c40\u57df\u78c1\u77e9\u3002<\/p>\n<p><strong>\u56fe3\uff1abcc\u548cfcc\u7684\u7406\u8bba\u5c45\u91cc\u6e29\u5ea6\u4e0eAl\u542b\u91cf\u7684\u5173\u7cfb<\/strong><\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-99777\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/09\/3-3.jpg\" alt=\"\" width=\"600\" height=\"480\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/09\/3-3.jpg 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/09\/3-3-300x240.jpg 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>\u56fe\u4e3abcc\uff08\u7ea2\u8272\u7ebf\uff09\u4e0efcc\uff08\u84dd\u8272\u7ebf\uff09\u7684\u7406\u8bba\u5c45\u91cc\u6e29\u5ea6\u503c\uff1b\u4ece\u56fe\u4e2d\u53ef\u4ee5\u770b\u51fa\uff0cbcc\u76f8\u7684\u5c45\u91cc\u6e29\u5ea6\u660e\u663e\u9ad8\u4e8efcc\u76f8\uff0c\u4e14bcc\u7684\u7406\u8bba\u5c45\u91cc\u6e29\u5ea6\u503c\u5bf9Al\u5143\u7d20\u542b\u91cf\u7684\u53d8\u5316\u6bd4\u8f83\u654f\u611f\u3002<\/p>\n<p><strong>\u56fe4\uff1a\u4e0d\u540c\u6e29\u5ea6\u4e0bbcc\u4e0efcc\u7684\u5409\u5e03\u65af\u81ea\u7531\u80fd\u4e0eAl\u542b\u91cf\u548c\u4ef7\u7535\u5b50\u6d53\u5ea6(VEC)\u7684\u5173\u7cfb<\/strong><\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-99778\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/09\/4-3.jpg\" alt=\"\" width=\"600\" height=\"443\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/09\/4-3.jpg 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/09\/4-3-300x222.jpg 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>\u4ece\u56fe\u4e2d\u53ef\u4ee5\u770b\u51fa\uff0c\u4ef7\u7535\u5b50\u6d53\u5ea6\uff08Al\u542b\u91cf\uff09\u4f1a\u5f71\u54cdfcc\/bcc\u76f8\u7684\u7a33\u5b9a\u6027\u3002\u4f8b\u5982\uff0c\u6e29\u5ea6\u4e3a300 K\u65f6\uff0cVEC &gt; 7.56\u4f1a\u4f18\u5148\u5f62\u6210\u5355\u4e00\u7684fcc\u76f8\uff0cVEC &lt; 6.93\u4f1a\u4f18\u5148\u5f62\u6210bcc\u76f8\u3002VEC\u503c\u5728\u4e2d\u95f4\u65f6\u5219\u4f1a\u5f62\u6210\u4e24\u76f8\u5171\u5b58\u6001\u3002<\/p>\n<p><strong>\u56fe5\uff1a\u4e0d\u540c\u6e29\u5ea6\u4e0bbcc\u4e0efcc\u7406\u8bba\u76f8\u754c\u4e0e\u5b9e\u9a8c\u7ed3\u679c\u7684\u5bf9\u6bd4<\/strong><\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-99779\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/09\/5-2.jpg\" alt=\"\" width=\"600\" height=\"474\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/09\/5-2.jpg 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/09\/5-2-300x237.jpg 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>\u6b64\u56fe\u63ed\u793a\u4e86\u9ad8\u71b5\u5408\u91d1\u4ece\u4e94\u5143\u4f53\u7cfb\u8fc7\u6e21\u5230\u516d\u5143\u4f53\u7cfb\u65f6\uff0cMn\u5143\u7d20\u7684\u5f71\u54cd\u5e76\u4e14\u9a8c\u8bc1\u4e86\u76f8\u9009\u62e9\u539f\u7406\u7684\u5408\u7406\u6027\u3002<\/p>\n<p><strong>\u56fe6 AlxCrMnFeCoNi\u5408\u91d1\u603b\u80fd\u91cf\u4e0e\u56db\u65b9\u6676\u683c\u5e38\u6570(c\/a)\u548cWigner-Seitz\u534a\u5f84 (\u03c9 in Bohr)\u7684\u5173\u7cfb<\/strong><\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-99780\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/09\/6-2.jpg\" alt=\"\" width=\"600\" height=\"813\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/09\/6-2.jpg 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/09\/6-2-221x300.jpg 221w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>x\uff1e1.0\u65f6\uff0cbcc\u6210\u4e3a\u7a33\u5b9a\u76f8\uff0c\u5176\u673a\u68b0\u7a33\u5b9a\u6027\u5728x=2.14\u65f6\u8fbe\u5230\u5cf0\u503c\uff0c\u968f\u540e\u968fx\u7684\u589e\u52a0\u800c\u4e0b\u964d\u3002<\/p>\n<p><strong>\u3010\u5c0f\u7ed3\u3011<\/strong><\/p>\n<p>\u91c7\u7528\u7b2c\u4e00\u6027\u539f\u7406\u7814\u7a76Al<em>x<\/em>CrMnFeCoNi\u9ad8\u71b5\u5408\u91d1\u7684\u76f8\u7a33\u5b9a\u6027\u548c\u78c1\u6027\u80fd\u4e0eAl\u542b\u91cf\u7684\u5173\u7cfb\u3002\u540c\u65f6\uff0c\u63ed\u793a\u4e86\u7b49\u539f\u5b50\u6bd4\u7684Mn\u5143\u7d20\u5bf9Al<em><sub>x<\/sub><\/em>CrFeCoNi\u5408\u91d1\u4f53\u7cfb\u76f8\u7a33\u5b9a\u6027\u7684\u5f71\u54cd\uff0c\u7528\u4ef7\u7535\u5b50\u6d53\u5ea6\u8f83\u597d\u5730\u9884\u6d4b\u4e86\u76f8\u7a33\u5b9a\u6027\u3002\u7ed3\u679c\u8bc1\u660e\u4e86\u7b2c\u4e00\u6027\u539f\u7406\u7406\u8bba\u5bf9\u4e8e\u7814\u7a76\u987a\u78c1\u9ad8\u71b5\u5408\u91d1\u76f8\u7a33\u5b9a\u6027\u7684\u80fd\u529b\uff0c\u5e76\u5bf9\u57fa\u4e8e\u4ef7\u7535\u5b50\u6d53\u5ea6\u7406\u8bba\u7684\u76f8\u9009\u62e9\u539f\u7406\u63d0\u4f9b\u4e86\u7406\u8bba\u652f\u6301\u3002<\/p>\n<p><strong>\u6587\u732e\u94fe\u63a5\uff1a<\/strong><a href=\"http:\/\/www.sciencedirect.com\/science\/article\/pii\/S1359645417307000\" target=\"_blank\" rel=\"noopener\">Phase selection rule for Al-doped CrMnFeCoNi high-entropy alloys from first-principles<\/a> (Acta Mater, 2017, DOI: 10.1016\/j.actamat.2017.08.045)<\/p>\n<p>\u672c\u6587\u7531\u6750\u6599\u4eba\u7f16\u8f91\u90e8\u90ed\u52c7\u7f16\u8bd1\uff0c\u4e07\u946b\u6d69\u5ba1\u6838\uff0c<a href=\"\/\/m.iemloyee.com\/25127.html\" target=\"_blank\" rel=\"noopener\">\u70b9\u6211\u52a0\u5165\u6750\u6599\u4eba\u7f16\u8f91\u90e8<\/a>\u3002<\/p>\n<p><strong>\u6750\u6599\u6d4b\u8bd5\uff0c\u6570\u636e\u5206\u6790\uff0c\u4e0a<a href=\"http:\/\/www.ceshigu.com\/\" target=\"_blank\" rel=\"noopener\">\u6d4b\u8bd5\u8c37<\/a>\uff01<\/strong><\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u3010\u5f15\u8a00\u3011 \u81ea\u9ad8\u71b5\u5408\u91d1\u7684\u6982\u5ff5\u63d0\u51fa\u540e\uff0c\u7814\u7a76\u4eba\u5458\u6839\u636e\u9ad8\u71b5\u7406\u8bba\u5f00\u53d1\u51fa\u4e86\u4f17\u591a\u9ad8\u71b5\u5408\u91d1\u4f53\u7cfb\u3002\u76f8\u6bd4\u4e8e\u4f20\u7edf\u5408\u91d1\uff0c\u9ad8\u71b5\u5408\u91d1\u5177\u6709\u4f18\u5f02\u4e14\u53ef\u8c03\u8282\u7684\u6027\u80fd\uff0c\u6709\u671b\u8fd0\u7528\u4e8e\u5f88\u591a\u9886\u57df\u3002\u5176\u4e2d\uff0c\u5178\u578b\u7684&#8230;<\/p>\n","protected":false},"author":230,"featured_media":0,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[215],"tags":[306],"class_list":["post-99774","post","type-post","status-publish","format-standard","hentry","category-jiedu","tag-high-entropy"],"_links":{"self":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/99774"}],"collection":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/users\/230"}],"replies":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=99774"}],"version-history":[{"count":1,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/99774\/revisions"}],"predecessor-version":[{"id":99781,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/99774\/revisions\/99781"}],"wp:attachment":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=99774"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=99774"},{"taxonomy":"post_tag","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=99774"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}