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\u3010\u5f15\u8a00\u3011<\/strong><\/p>\n \u6c27\u5316\u7269\u5939\u6742\u662f\u94f8\u6001\u94dd\u4e2d\u4e00\u79cd\u5e38\u89c1\u7684\u7f3a\u9677\uff0c\u7531\u4e8e\u5177\u6709\u8f83\u9ad8\u7684\u6c27\u4eb2\u548c\u529b\uff0c\u6db2\u6001\u94dd\u4f1a\u5728\u51e0\u79d2\u5185\u88ab\u5feb\u901f\u6c27\u5316\u4e8e\u51e0\u7eb3\u7c73\u540e\u7684\u6c27\u5316\u94dd\u8584\u819c\u8868\u9762\u3002\u7531\u4e8e\u94f8\u6a21\u7684\u5f62\u72b6\u590d\u6742\uff0c\u5728\u6db2\u6001\u94dd\u586b\u5145\u94f8\u6a21\u65f6\u4f1a\u4ea7\u751f\u8f83\u5f3a\u7684\u8868\u9762\u6270\u52a8\uff0c\u8fd9\u79cd\u6270\u52a8\u4f1a\u4f7f\u6c27\u5316\u94dd\u8584\u819c\u6298\u53e0\u4e3a\u7eb3\u7c73\u5c3a\u5ea6\u7684\u6c27\u5316\u819c\u5939\u5c42(bifilms)\uff0c\u5b58\u5728\u4e8e\u6700\u7ec8\u7684\u94f8\u4ef6\u4e2d\u3002\u8fd9\u79cd\u53cc\u5c42\u6c27\u5316\u819c\u7684\u5f62\u6210\u548c\u5939\u5e26\u5728\u94dd\u7684\u94f8\u9020\u8fc7\u7a0b\u4e2d\u662f\u4e0d\u53ef\u907f\u514d\u7684\uff0c\u5e76\u4e14\u4e25\u91cd\u5f71\u54cd\u94dd\u94f8\u4ef6\u7684\u6700\u7ec8\u529b\u5b66\u6027\u80fd\uff0c\u4f46\u662f\uff0c\u7531\u4e8e\u73b0\u4eca\u5bf9\u7eb3\u7c73\u5c3a\u5ea6\u6c27\u5316\u94dd\u8584\u819c\u8fdb\u884c\u539f\u4f4d\u89c2\u5bdf\u7684\u80fd\u529b\u53d7\u9650\uff0c\u5176\u5f62\u6210\u8fc7\u7a0b\u6216\u65ad\u88c2\u673a\u5236\u4ecd\u4e0d\u6e05\u695a\u3002<\/p>\n \u3010\u6210\u679c\u7b80\u4ecb\u3011<\/strong><\/p>\n \u8fd1\u65e5\uff0c\u7f8e\u56fd\u5bc6\u6b47\u6839\u5dde\u7acb\u5927\u5b66<\/strong>\u7684Yue Qi<\/strong>\u6559\u6388<\/strong>\u5728Acta Materialia<\/strong>\u4e0a\u53d1\u8868\u4e86\u9898\u4e3a\u201cAtomistic Simulation of the Formation and Fracture of Oxide Bifilms in Cast Aluminum<\/strong>\u201d\u7684\u6587\u7ae0\u3002\u4e3a\u7406\u89e3\u4e0d\u540c\u7684\u6c27\u5316\u819c\u5939\u5c42\u5f62\u6210\u9636\u6bb5\u548c\u65f6\u6548\u8fc7\u7a0b\u4e2d\uff0c\u6c27\u5316\u819c\u5939\u5c42\u5bf9\u65ad\u88c2\u673a\u5236\u7684\u5f71\u54cd\uff0c\u4f5c\u8005\u6839\u636e\u6c27\u5316\u819c\u5939\u5c42\u7684\u5f62\u6210\u5386\u53f2\uff0c\u5efa\u7acb\u4e86\u539f\u5b50\u7ea7\u7684\u6c27\u5316\u819c\u5939\u5c42\u5e73\u677f(slab)\u6a21\u578b\u3002\u5728\u6a21\u62df\u4e0d\u540c\u7c7b\u578b\u7684\u6c27\u5316\u819c\u5939\u5c42\u5f62\u6210\u548c\u5f62\u53d8\u65f6\uff0c\u4f7f\u7528\u4e86ReaxFF\u53cd\u5e94\u529b\u573a\u6a21\u62df\u3002\u6a21\u62df\u663e\u793a\u5728\u6c27\u5316\u819c\u5939\u5c42\u5f62\u6210\u8fc7\u7a0b\u4e2d\uff0c\u5728\u6c27\u5316\u7269\/\u6c27\u5316\u7269\u754c\u9762\u5904\u53d1\u751f\u4e0d\u5b8c\u5168\u7684\u201c\u6108\u5408\u201d\u8fc7\u7a0b\uff0c\u800c\u5728\u65ad\u88c2\u8fc7\u7a0b\u4e2d\uff0c\u8fd9\u79cd\u201c\u6108\u5408\u201d\u73b0\u8c61\u53d1\u751f\u5728\u94dd\u5355\u8d28\/\u6c27\u5316\u7269\u754c\u9762\u5904\u3002<\/p>\n \u3010\u56fe\u6587\u5bfc\u8bfb\u3011<\/strong><\/p>\n \u56fe1\uff1a\u538b\u94f8\u94dd\u8fc7\u7a0b\u4e2d\u6c27\u5316\u819c\u5939\u5c42\u5f62\u6210\u548c\u968f\u65f6\u95f4\u3001\u6e29\u5ea6\u6f14\u5316\u7684\u793a\u610f\u56fe\u3002<\/p>\n \u56fe2\uff1a\u5efa\u7acb\u4e0d\u540c\u5f62\u6210\u5386\u53f2\u7684\u6c27\u5316\u819c\u5939\u5c42\u7ed3\u6784\u7684\u8fc7\u7a0b\u3002<\/p>\n \u56fe3\uff1a\u4e0d\u540c\u76f8\u7684\u5757\u4f53\u6c27\u5316\u94dd\u7ed3\u6784\u7684\u5ba4\u6e29\u4f53\u6a21\u91cf\u9884\u6d4b\u4e0e\u8bba\u6587\u5b9e\u9a8c\u503c\u5bf9\u6bd4\u3002<\/p>\n \u56fe4\uff1a\u6cbf\u8868\u9762\u6b63\u4ea4\u65b9\u5411\u5404\u7c7b\u6c27\u5316\u7269\u4e2d\u7684\u539f\u5b50\u7535\u8377\u5206\u5e03\u4ee5\u53ca\u5bf9\u5e94\u7684\u539f\u5b50\u7ed3\u6784\u3002<\/p>\n (a)\u65b0\u751f\u6c27\u5316\u7269\uff1b<\/p>\n (b)\u754c\u9762\u5904\u672a\u53d7\u70ed\u7684\u5148\u524d\u6c27\u5316\u7269\uff1b<\/p>\n (c)\u5148\u524d\u6c27\u5316\u7269\uff1b<\/p>\n (d)-OH\u7ec8\u6b62\u7684\u5148\u524d\u6c27\u5316\u7269\u3002<\/p>\n \u56fe5\uff1a\u5404\u7c7b\u6c27\u5316\u7269\u4e2d\u7684Al-O\u952e\u5bc6\u5ea6\u4ee5\u53ca\u5bf9\u5e94\u7684\u539f\u5b50\u7ed3\u6784\u3002<\/p>\n (a)Al-O\u952e\u5bc6\u5ea6;<\/p>\n (b)\u65b0\u751f\u6c27\u5316\u7269\uff1b<\/p>\n (c)\u5148\u524d\u6c27\u5316\u7269\uff1b<\/p>\n (d)-OH\u7ec8\u6b62\u7684\u5148\u524d\u6c27\u5316\u7269\u3002<\/p>\n \u56fe6\uff1a\u6c27\u5316\u819c\u5939\u5c42\u7684\u5f62\u53d8\u5206\u6790\u3002<\/p>\n (a)\u65b0\u751f\u3001\u5148\u524d\u548c-OH\u7ec8\u7ed3\u7684\u5148\u524d\u6c27\u5316\u7269\u7684\u65ad\u88c2\u7279\u5f81\uff1b<\/p>\n (b)\u4e09\u79cd\u7ed3\u6784\u7684\u5e94\u529b\u5e94\u53d8\u66f2\u7ebf\uff1b<\/p>\n (c)\u6709\u9650\u5143\u65b9\u6cd5\u4e0d\u540c\u7f51\u683c\u5c3a\u5bf8\u4e0b\uff0c\u4e09\u79cd\u7ed3\u6784\u7684\u65ad\u88c2\u5f3a\u5ea6\u3002<\/p>\n \u3010\u5c0f\u7ed3\u3011<\/strong><\/p>\n \u4f5c\u8005\u57fa\u4e8e\u6c27\u5316\u819c\u5939\u5c42\u7684\u5f62\u6210\u5386\u53f2\uff0c\u7ec6\u81f4\u8bbe\u8ba1\u4e86\u53cd\u5e94\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u8fc7\u7a0b\uff0c\u7528\u4e8e\u9884\u6d4b\u94dd\u94f8\u9020\u8fc7\u7a0b\u4e2d\u5f62\u6210\u7684\u53cc\u5c42\u819c\u7684\u529b\u5b66\u6027\u80fd\u3002\u901a\u8fc7\u6c27\u5316\u819c\u5939\u5c42\u5f62\u6210\u8fc7\u7a0b\u4e2d\uff0cAl-O\u952e\u5bc6\u5ea6\u5206\u5e03\uff0c\u63d0\u51fa\u6c27\u5316\u7269\u4e2d\u4e0d\u5b8c\u5168\u7684\u6108\u5408\u8fc7\u7a0b\u7684\u5b58\u5728\u3002\u5728\u6c27\u5316\u7269\u7684\u8001\u5316\u8fc7\u7a0b\u4e2d\uff0c\u6c27\u5316\u7269\u4f1a\u53d1\u751f\u7531\u975e\u6676\u6001\u5230\u03b1-Al2<\/sub>O3<\/sub>\u7684\u8f6c\u53d8\uff0c\u65ad\u88c2\u80fd\u63d0\u9ad8\u3002\u5728\u65ad\u88c2\u540e\u4e00\u4e9b\u94dd\u91d1\u5c5e\u8f6c\u79fb\u5230\u6c27\u5316\u7269\u4e0a\uff0c\u4f1a\u5728Al\/\u6c27\u5316\u7269\u754c\u9762\u5904\u51fa\u73b0\u65b0\u751f\u548c\u5148\u524d\u6c27\u5316\u7269\u53cc\u5c42\u819c\u7684\u65ad\u88c2\u3002\u76f8\u6bd4\u4e4b\u4e0b\uff0c\u8868\u9762\u5e26\u670930%\u7f9f\u57fa\u8986\u76d6\u7387\u7684\u6c27\u5316\u7269\u5939\u5c42\uff0c\u65ad\u88c2\u4f4d\u7f6e\u5904\u4e8e\u6c27\u5316\u7269\u548c\u6c27\u5316\u7269\u7684\u754c\u9762\u3002\u6a21\u62df\u7ed3\u679c\u663e\u793a\u4e86\u7f9f\u57fa\u7fa4\u5bf9\u201c\u5e72\u71e5\u201d\u754c\u9762\u521d\u59cb\u65ad\u88c2\u7684\u8d21\u732e\uff0c\u8981\u6bd4\u8001\u5316\u8fc7\u7a0b\u4e2d\u76f8\u53d8\u7684\u8d21\u732e\u66f4\u5927\u3002\u56e0\u6b64\uff0c\u51cf\u5c11\u6c22\u6c14\u542b\u91cf\uff0c\u5373\u7f9f\u57fa\u6765\u6e90\uff0c\u53ef\u4ee5\u4f7f\u6c27\u5316\u7269\u6108\u5408\uff0c\u5e76\u4f7f\u5f97\u5939\u5c42\u5f3a\u5ea6\u63d0\u9ad8\u3002\u5bf9\u4e8e\u5927\u5c3a\u5ea6\u7684\u94f8\u9020\u94dd\u90e8\u4ef6\u8bbe\u8ba1\uff0c\u6c27\u5316\u7269\u53cc\u5c42\u819c\u7684\u521d\u59cb\u65ad\u88c2\u5f00\u53e3\u53ef\u4ee5\u7528\u6709\u9650\u5143\u65b9\u6cd5\u4e2d\u7684\u5185\u805a\u529b\u6a21\u578b(CZM)\u8fdb\u884c\u63cf\u8ff0\uff0c\u56e0\u6b64\uff0c\u6587\u7ae0\u8fd8\u4f7f\u7528\u4e86\u4e00\u79cd\u7b80\u5355\u7684\u5c3a\u5bf8\u8fde\u63a5\u5173\u7cfb\u7528\u4e8e\u5c06\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u5f97\u5230\u7684\u65ad\u88c2\u5f3a\u5ea6\u548c\u5185\u805a\u529b\u6a21\u578b\u53c2\u6570\u5728\u76f8\u540c\u6570\u503c\u8303\u56f4\u3002<\/p>\n<\/p>\n
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