{"id":105162,"date":"2017-10-10T14:00:17","date_gmt":"2017-10-10T06:00:17","guid":{"rendered":"\/\/m.iemloyee.com\/?p=105162"},"modified":"2017-10-10T14:45:12","modified_gmt":"2017-10-10T06:45:12","slug":"acta-mater-%ef%bc%9a%e9%9a%be%e7%86%94%e9%ab%98%e7%86%b5%e5%90%88%e9%87%91%e4%b8%89%e9%98%b6%e5%bc%b9%e6%80%a7%e5%b8%b8%e6%95%b0%e5%8f%8a%e7%9b%b8%e5%85%b3%e9%9d%9e%e8%b0%90%e6%80%a7%e8%b4%a8%e7%9a%84","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=105162","title":{"rendered":"Acta Mater.\uff1a\u96be\u7194\u9ad8\u71b5\u5408\u91d1\u4e09\u9636\u5f39\u6027\u5e38\u6570\u53ca\u76f8\u5173\u975e\u8c10\u6027\u8d28\u7684\u7b2c\u4e00\u6027\u539f\u7406\u7814\u7a76"},"content":{"rendered":"<p>\u3010<strong>\u5f15\u8a00<\/strong>\u3011<\/p>\n<p>\u5bc6\u5ea6\u6cdb\u51fd\u6a21\u62df\u53ef\u7528\u4e8e\u7814\u7a76\u7531\u7b2c\u56db\u3001\u4e94\u3001\u516d\u4e3b\u65cf\u5143\u7d20\u7ec4\u6210\u7684\u56db\u7c7b\u4f53\u5fc3\u7acb\u65b9\u96be\u7194\u9ad8\u71b5\u5408\u91d1\u7684\u4e09\u9636\u5f39\u6027\u51fd\u6570\u548c\u5f39\u6027\u975e\u7b80\u8c10\u6027\u8d28\u3002\u7814\u7a76\u53d1\u73b0\u4e09\u9636\u5f39\u6027\u5e38\u6570\u7684\u516d\u4e2a\u72ec\u7acb\u503c\u4e2d\uff0cC<sub>111<\/sub>\u6700\u5927\u4e14\u968f\u7740\u5e73\u5747\u4ef7\u7535\u5b50\u6d53\u5ea6\u589e\u52a0\u800c\u663e\u8457\u589e\u52a0\u3002 \u6709\u8da3\u7684\u662f\uff0c\u4e09\u9636\u5f39\u6027\u5e38\u6570C<sub>456<\/sub>\u4f5c\u4e3a\u5e73\u5747\u4ef7\u7535\u5b50\u6d53\u5ea6\u7684\u51fd\u6570\u7ecf\u5386\u4e86\u6b63\u8d1f\u53d8\u5316\u3002\u901a\u8fc7\u5f97\u5230\u7684\u4e09\u9636\u5f39\u6027\u5e38\u6570\u6765\u7814\u7a76\u683c\u6797\u827e\u68ee\u5e38\u6570\u548c\u4f4e\u6e29\u6781\u9650\u503c\uff0c\u63a8\u5bfc\u51fa\u957f\u6ce2\u975e\u7ebf\u6027\u53c2\u6570\uff0c\u6709\u6548\u5f39\u6027\u5e38\u6570\u548c\u4ee5\u4ef7\u7535\u5b50\u5e38\u6570\u4e3a\u81ea\u53d8\u91cf\u7684\u591a\u6676\u6a21\u91cf\u5bf9\u538b\u529b\u6c42\u5bfc\uff0c\u5f97\u51fa\u5bf9\u5e94\u7684\u503c\u3002\u672c\u7814\u7a76\u7ed3\u679c\u663e\u793a\uff0c\u56db\u7c7b\u96be\u7194\u9ad8\u71b5\u5408\u91d1\u7684\u503c\u6cbf\u7740[100],[110]\u548c[111]\u7eaf\u6a21\u8f74(pure mode)\u65b9\u5411\u8868\u73b0\u51fa\u4e0d\u540c\u7684\u53d6\u5411\u5e8f\u3002\u5e76\u4e14\uff0c\u672c\u7814\u7a76\u663e\u793a\u7684\u53d6\u5411\u5e8f\u548c\u6676\u4f53\u5bf9\u79f0\u6027\u4e0d\u76f8\u5173\u3002\u901a\u8fc7\u591a\u6676\u6a21\u91cf\u5bf9\u538b\u529b\u6c42\u5bfc\u6240\u5f97\u503c\uff0c\u7814\u7a76\u4eba\u5458\u9884\u6d4b\u5f97\u51fa\u4f4e\u6e29\u4f53\u79ef\u81a8\u80c0\u7cfb\u6570\u3002<\/p>\n<p>\u3010<strong>\u6210\u679c\u7b80\u4ecb<\/strong>\u3011<\/p>\n<p>\u745e\u5178\u7687\u5bb6\u7406\u5de5\u5b66\u9662\u7684<strong>Xiaoqing Li<\/strong><strong>\u535a\u58eb\u540e<\/strong>\uff08\u901a\u8baf\u4f5c\u8005\uff09\u5728<strong>Acta Mater.<\/strong>\u4e0a\u53d1\u8868\u4e00\u7bc7\u9898\u4e3a\u201c<strong>First-principles study of the third-order elastic constants and related anharmonic properties in refractory high-entropy alloys<\/strong>\u201d\u7684\u6587\u7ae0\uff0c\u7814\u7a76\u4eba\u5458\u901a\u8fc7\u7b2c\u4e00\u6027\u539f\u7406\u7cbe\u786eMuffin-Tin\u8f68\u9053\u65b9\u6cd5\u7ed3\u5408\u76f8\u5e72\u52bf\u8fd1\u4f3c(CPA)\uff0c\u7814\u7a76\u4e86\u56db\u79cd\u4f53\u5fc3\u7acb\u65b9\u7ed3\u6784\u96be\u7194\u9ad8\u71b5\u5408\u91d1\u7684\u4e09\u9636\u5f39\u6027\u5e38\u6570\u53ca\u5176\u76f8\u5173\u7684\u5f39\u6027\u975e\u8c10\u6027\u8d28\u3002\u83b7\u5f97\u6bcf\u79cd\u5408\u91d1\u7684\u5e73\u8861\u6676\u683c\u53c2\u6570\u548c\u73b0\u6709\u7684\u5b9e\u9a8c\u6570\u636e\u53ef\u4ee5\u5f88\u597d\u7684\u543b\u5408\u3002\u7814\u7a76\u53d1\u73b0TiZrHfVNb\u6709\u6700\u5927\u7684\u4f53\u81a8\u80c0\u7cfb\u6570\u03b1\u503c\uff0c\u6bd4NbTaMoW\u7684\u4f53\u81a8\u80c0\u7cfb\u6570\u6700\u5c0f\u503c\u592735%\uff0c\u56db\u79cd\u9ad8\u71b5\u5408\u91d1\u7684\u4f53\u81a8\u80c0\u7cfb\u6570\u53d8\u5316\u8d8b\u52bf\u4e3b\u8981\u51b3\u5b9a\u4e8e\u5207\u53d8\u6a21\u91cf\u548c\u4f53\u6a21\u91cf\u503c\u3002\u6839\u636e\u73b0\u6709\u7ed3\u679c\uff0c\u6709\u671b\u901a\u8fc7\u79d1\u7814\u4eba\u5458\u5f00\u5c55\u8fdb\u4e00\u6b65\u7814\u7a76\uff0c\u6765\u7406\u89e3\u975e\u7ebf\u6027\u73b0\u8c61\u548c\u96be\u7194\u9ad8\u71b5\u5408\u91d1\u7684\u975e\u8c10\u6027\u8d28\u3002<\/p>\n<p>\u3010<strong>\u56fe\u6587\u5bfc\u8bfb<\/strong>\u3011<\/p>\n<p><strong>\u56fe1\uff1a\u7531\u62c9\u683c\u6717\u65e5\u5e94\u53d8\u548c\u65e0\u9650\u5c0f\u5e94\u53d8\u5f97\u5230\u76844\u79cd\u96be\u7194\u9ad8\u71b5\u5408\u91d1\u76843\u4e2a\u4e8c\u9636\u5f39\u6027\u5e38\u6570\u72ec\u7acb\u503c<\/strong><\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter wp-image-105440 size-full\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/10\/1-17.jpg\" alt=\"\" width=\"700\" height=\"562\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/10\/1-17.jpg 700w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/10\/1-17-300x241.jpg 300w\" sizes=\"(max-width: 700px) 100vw, 700px\" \/><\/p>\n<p>\u4e24\u79cd\u65b9\u6cd5\u5f97\u5230\u7684\u6570\u636e\u53ef\u4ee5\u5f88\u597d\u5730\u543b\u5408\uff0c\u7814\u7a76\u53d1\u73b0C<sub>11<\/sub>\u548cc<sub>11<\/sub>,C<sub>12<\/sub>\u548cc<sub>12<\/sub>,C<sub>44<\/sub>\u548cc<sub>44<\/sub>\u7684\u6700\u5927\u8bef\u5dee\u503c\u4f9d\u6b21\u4e3a~2%\uff0c~1%\u548c~5%\u3002\u73b0\u6709\u7ed3\u679c\u652f\u6301\u73b0\u6709\u65b9\u6cd5\u8fdb\u4e00\u6b65\u7528\u4e8e\u6c42\u89e3\u9ad8\u71b5\u5408\u91d1\u7684\u4e09\u9636\u5f39\u6027\u5e38\u6570\u3002<\/p>\n<p><strong>\u56fe2\uff1a\u56db\u79cd\u96be\u7194\u9ad8\u71b5\u5408\u91d1\u7684\u4e09\u9636\u5f39\u6027\u5e38\u6570\u76846\u4e2a\u72ec\u7acb\u503c\u3002<\/strong><\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter wp-image-105444 size-full\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/10\/5-10.jpg\" alt=\"\" width=\"700\" height=\"516\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/10\/5-10.jpg 700w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/10\/5-10-300x221.jpg 300w\" sizes=\"(max-width: 700px) 100vw, 700px\" \/><\/p>\n<p>\u53ef\u4ee5\u770b\u51fa\uff0cC<sub>111<\/sub>\u6bd4\u5176\u4ed6\u7684\u4e94\u4e2a\u4e09\u9636\u5f39\u6027\u5e38\u6570\u6709\u66f4\u5927\u7684\u503c\uff0c\u4e14\u968f\u7740\u5e73\u5747\u4ef7\u7535\u5b50\u6d53\u5ea6\u7684\u589e\u52a0\u800c\u663e\u8457\u589e\u52a0\u3002NbTaMoW\u6bd4TiZrHfVNb\u7684C<sub>111<\/sub>\u503c\u9ad8\u4e09\u500d\u3002\u5f39\u6027\u7cfb\u6570C<sub>112<\/sub>\u5bf9\u4ef7\u7535\u5b50\u6d53\u5ea6\u76f8\u5bf9\u4e0d\u654f\u611f\u3002<\/p>\n<p><strong>\u56fe3\uff1a\u56db\u7c7b\u96be\u7194\u9ad8\u71b5\u5408\u91d1\u4e2d\uff0c\u65b9\u4f4d\u89d2\u03c6 = 0\u25e6\u548c \u03c6 = 45\u25e6\u65f6\uff0c\u4e09\u4e2a\u58f0\u5b66\u652f\u5bf9\u5e94\u7684\u683c\u6797\u827e\u68ee\u5e38\u6570\u503c\u03b3<sub>i<\/sub>\u968f\u6781\u89d2\u03b8\u53d8\u5316\u60c5\u51b5<\/strong><\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter wp-image-105442 size-full\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/10\/3-14.jpg\" alt=\"\" width=\"600\" height=\"924\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/10\/3-14.jpg 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/10\/3-14-195x300.jpg 195w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p><strong>\u56fe4\uff1a\u7eb5\u5411\u58f0\u6ce2\u975e\u7ebf\u6027\u5e38\u6570\u03b2\u4e0e\u6ce2\u4f20\u64ad\u65b9\u5411\u7684\u51fd\u6570\u5173\u7cfb\u56fe\u50cf<\/strong><\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-105443\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/10\/4-14.jpg\" alt=\"\" width=\"700\" height=\"210\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/10\/4-14.jpg 700w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/10\/4-14-300x90.jpg 300w\" sizes=\"(max-width: 700px) 100vw, 700px\" \/><\/p>\n<p>\u7b1b\u5361\u5c14\u5750\u6807\u7cfb\u786e\u5b9a\u4e86\u03b2\u5728[100],[010],[001]\u6676\u8f74\u4e0a\u7684\u6295\u5f71\u3002(a)\u4e3aTiZrHfNbV\uff0c(b)\u4e3aTiVNbMo\uff0c(c)\u4e3aNbTaMoV.<\/p>\n<p><strong>\u56fe5\uff1a\u56db\u7c7b\u96be\u7194\u9ad8\u71b5\u5408\u91d1\u4e2d\uff0c\u6709\u6548\u5f39\u6027\u5e38\u6570\u548c\u591a\u6676\u6a21\u91cf\u5bf9\u538b\u529b\u6c42\u5bfc\u7684\u503c<\/strong><\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter wp-image-105441\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/10\/2-17.jpg\" alt=\"\" width=\"600\" height=\"473\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2017\/10\/2-17.jpg 700w, \/\/m.iemloyee.com\/wp-content\/uploads\/2017\/10\/2-17-300x237.jpg 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>&nbsp;<\/p>\n<p>\u3010<strong>\u5c0f\u7ed3<\/strong>\u3011<\/p>\n<p>\u672c\u7814\u7a76\u901a\u8fc7\u7b2c\u4e00\u6027\u539f\u7406\u7cbe\u786eMuffin-Tin\u8f68\u9053\u65b9\u6cd5\u7ed3\u5408\u76f8\u5e72\u52bf\u8fd1\u4f3c(CPA)\uff0c\u7814\u7a76\u4e86\u56db\u79cd\u4f53\u5fc3\u7acb\u65b9\u7ed3\u6784\u96be\u7194\u9ad8\u71b5\u5408\u91d1\u7684\u4e09\u9636\u5f39\u6027\u5e38\u6570\u53ca\u5176\u76f8\u5173\u7684\u5f39\u6027\u975e\u8c10\u6027\u8d28\u3002\u83b7\u5f97\u6bcf\u79cd\u5408\u91d1\u7684\u5e73\u8861\u6676\u683c\u53c2\u6570\u548c\u73b0\u6709\u7684\u5b9e\u9a8c\u6570\u636e\u53ef\u4ee5\u5f88\u597d\u7684\u543b\u5408\u3002\u6839\u636e\u73b0\u6709\u7ed3\u679c\uff0c\u6709\u671b\u901a\u8fc7\u79d1\u7814\u4eba\u5458\u5f00\u5c55\u8fdb\u4e00\u6b65\u7814\u7a76\uff0c\u6765\u7406\u89e3\u975e\u7ebf\u6027\u73b0\u8c61\u548c\u96be\u7194\u9ad8\u71b5\u5408\u91d1\u7684\u975e\u8c10\u6027\u8d28\u3002\u4f8b\u5982\uff0c\u901a\u8fc7\u5df2\u6709\u7684\u4e09\u9636\u5f39\u6027\u5e38\u6570\uff0c\u8fd1\u671f\u5efa\u7acb\u7684\u975e\u7ebf\u6027\u7406\u8bba\u53ef\u4ee5\u7528\u4e8e\u6a21\u62df\u96be\u7194\u9ad8\u71b5\u5408\u91d1\u7684\u5851\u6027\u3002\u6b64\u5916\uff0c\u672c\u7814\u7a76\u53ef\u4f5c\u4e3a\u5b9e\u9a8c\u6d4b\u5b9a\u4e09\u9636\u5f39\u6027\u5e38\u6570\u7684\u6709\u6548\u6307\u5357\uff0c\u63d0\u4f9b\u63a8\u52a8\u4f5c\u7528\u3002<\/p>\n<p><strong>\u6587\u732e\u94fe\u63a5\uff1a<\/strong><a href=\"http:\/\/www.sciencedirect.com\/science\/article\/pii\/S1359645417308078#fig1\" target=\"_blank\" rel=\"noopener\">First-principles study of the third-order elastic constants and related anharmonic properties in refractory high-entropy alloys<\/a>\u00a0(Acta Mater.,2017,DOI: 10.1016\/j.actamat.2017.09.041)<\/p>\n<p>\u672c\u6587\u7531\u6750\u6599\u4eba\u8ba1\u7b97\u6750\u6599\u5b66\u672f\u7ec4\u5b59\u80dc\u541b\u7f16\u8bd1\uff0c\u6750\u6599\u725b\u6574\u7406\u7f16\u8f91\u3002<\/p>\n<p>\u6750\u6599\u725b\u7f51\u4e13\u6ce8\u4e8e\u8ddf\u8e2a\u6750\u6599\u9886\u57df\u79d1\u6280\u53ca\u884c\u4e1a\u8fdb\u5c55\uff0c\u8fd9\u91cc\u6c47\u96c6\u4e86\u5404\u5927\u9ad8\u6821\u7855\u535a\u751f\u3001\u4e00\u7ebf\u79d1\u7814\u4eba\u5458\u4ee5\u53ca\u884c\u4e1a\u4ece\u4e1a\u8005\uff0c\u5982\u679c\u60a8\u5bf9\u4e8e\u8ddf\u8e2a\u6750\u6599\u9886\u57df\u79d1\u6280\u8fdb\u5c55\uff0c\u89e3\u8bfb\u9ad8\u6c34\u5e73\u6587\u7ae0\u6216\u662f\u8bc4\u8ff0\u884c\u4e1a\u6709\u5174\u8da3\uff0c<a 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