{"id":246579,"date":"2023-02-07T10:00:24","date_gmt":"2023-02-07T02:00:24","guid":{"rendered":"\/\/m.iemloyee.com\/?p=246579"},"modified":"2023-02-07T09:50:58","modified_gmt":"2023-02-07T01:50:58","slug":"nature-materials%ef%bc%9a%e9%80%9a%e8%bf%87%e8%ae%a1%e7%ae%97%e5%8f%91%e7%8e%b0%e5%92%8c%e7%90%86%e8%a7%a3%e6%9d%90%e6%96%99","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=246579","title":{"rendered":"Nature Materials\uff1a\u901a\u8fc7\u8ba1\u7b97\u53d1\u73b0\u548c\u7406\u89e3\u6750\u6599"},"content":{"rendered":"<p><strong>\u4e00\u3001\u5bfc\u8bfb<\/strong><\/p>\n<p>\u73b0\u4ee3\u6750\u6599\u79d1\u5b66\u8bde\u751f\u4e8e20\u4e16\u7eaa\uff0c\u7531\u4e8e\u4eba\u4eec\u9700\u8981\u8003\u8651\u5404\u79cd\u5404\u6837\u7684\u6548\u5e94\u6765\u7406\u89e3\u771f\u5b9e\u7684\u6750\u6599\uff0c\u4ece\u5fae\u5c3a\u5ea6\u4e0a\u7684\u91cf\u5b50\u76f8\u4e92\u4f5c\u7528(\u5982\u5149\u5438\u6536\u548c\u7535\u8377\/\u81ea\u65cb\u8f93\u8fd0)\u5230\u5b8f\u89c2\u5c3a\u5ea6\u4e0a\u7684\u5b8f\u89c2\u6027\u8d28(\u5982\u7ed3\u6784\u7f3a\u9677\u548c\u88c2\u7eb9\u6269\u5c55)\uff0c\u8fd9\u4f7f\u5f97\u7814\u7a76\u5341\u5206\u4f9d\u8d56\u8ba1\u7b97\u6280\u672f\u3002\u5e78\u8fd0\u7684\u662f\uff0c\u5728\u8fc7\u53bb\u7684\u51e0\u5341\u5e74\u91cc\uff0c\u6750\u6599\u7684\u8ba1\u7b97\u673a\u6a21\u62df\u9886\u57df\u6709\u4e86\u5de8\u5927\u7684\u53d1\u5c55\u3002\u65b0\u7684\u5de7\u5999\u7684\u65b9\u6cd5\u548c\u5e94\u7528\uff0c\u518d\u52a0\u4e0a\u8ba1\u7b97\u673a\u786c\u4ef6\u7684\u6539\u8fdb\uff0c\u4f7f\u5176\u6210\u4e3a\u6750\u6599\u7814\u7a76\u7684\u4e2d\u5fc3\u652f\u67f1\u3002<\/p>\n<p>\u6839\u636e\u539f\u5b50\u6838\u548c\u7535\u5b50\u76f8\u4e92\u4f5c\u7528\u7684\u539f\u7406\u53ca\u5176\u57fa\u672c\u8fd0\u52a8\u89c4\u5f8b\uff0c\u8fd0\u7528\u91cf\u5b50\u529b\u5b66\uff0c\u4ece\u7269\u8d28\u5177\u4f53\u60c5\u51b5\u51fa\u53d1\uff0c\u4ee5\u6b64\u4f5c\u4e3a\u6750\u6599\u7b2c\u4e00\u6027\u539f\u7406\u6216\u4ece\u5934\u8ba1\u7b97\u6a21\u578b\u7684\u57fa\u7840\u5bf9\u591a\u4f53\u7cfb\u8fdb\u884c\u8ba1\u7b97\u662f\u4e00\u4e2a\u5177\u6709\u6311\u6218\u6027\u7684\u95ee\u9898\u3002\u7531\u5b9e\u9645\u6750\u6599\u76f8\u4e92\u4f5c\u7528\u7684\u591a\u4f53\u7cfb\u7edf\u7684\u76f8\u7a7a\u95f4\u5177\u6709\u6781\u5927\u7684\u7ef4\u6570\u3002\u8fd9\u4e9b\u7cfb\u7edf\u5168\u90e8\u53ef\u80fd\u7684\u6001\u4e5f\u76f8\u5e94\u5730\u6210\u4e3a\u8fd9\u4e00\u9886\u57df\u7684\u4e30\u5bcc\u6027\u7684\u6e90\u6cc9\uff0c\u7531\u6b64\u4ea7\u751f\u4e86\u8bb8\u591a\u65b0\u9896\u800c\u6709\u7528\u7684\u7a81\u53d8\u6027\u8d28\u548c\u73b0\u8c61\u3002<\/p>\n<p>\u5728\u5b9e\u8df5\u4e2d\uff0c\u5fc5\u987b\u627e\u5230\u7269\u7406\u52a8\u91cf\u7684\u8fd1\u4f3c\u503c\u6765\u89e3\u51b3\u4e0d\u540c\u80fd\u91cf\u548c\u957f\u5ea6\u5c3a\u5ea6\u4ee5\u53ca\u4e0d\u540c\u65f6\u95f4\u5c3a\u5ea6\u4e0a\u7684\u95ee\u9898\u3002\u5728\u8fd9\u4e9b\u4e0d\u540c\u7684\u5c3a\u5ea6\u4e0a\uff0c\u6765\u81ea\u591a\u7c92\u5b50\u7cfb\u7edf\u5e93\u4ed1\u76f8\u4e92\u4f5c\u7528\u7684\u7a81\u53d8\u6027\u8d28\u4ee5\u4e0d\u540c\u7684\u65b9\u5f0f\u8868\u73b0\u51fa\u6765\u3002\u4ece\u4ee5\u5f80\u7814\u7a76\u6765\u770b\uff0c\u4e3a\u4e0d\u540c\u76ee\u6807\u91cf\u8eab\u5b9a\u5236\u7684\u8ba1\u7b97\u65b9\u6cd5\u4e5f\u5728\u4e0d\u65ad\u53d1\u5c55\u3002\u8fd9\u4e9b\u65b9\u6cd5\u901a\u5e38\u4ee5\u591a\u4f53\u54c8\u5bc6\u987f\u91cf\u6784\u6210\u57fa\u7840\uff0c\u9ad8\u5ea6\u76f8\u4e92\u5173\u8054\uff0c\u4ece\u800c\u6fc0\u53d1\u4e86\u8de8\u5b66\u79d1\u7406\u8bba\/\u8ba1\u7b97\u6750\u6599\u7814\u7a76\u7684\u6d3b\u529b\u3002\u5230\u76ee\u524d\u4e3a\u6b62\uff0c\u7814\u7a76\u4eba\u5458\u7684\u4f7f\u7528\u7684\u65b9\u6cd5\u7edf\u4e00\u4e3a\u591a\u5c3a\u5ea6\u6a21\u578b\uff0c\u4f46\u8be5\u9886\u57df\u5df2\u7ecf\u6210\u719f\uff0c\u53ef\u4ee5\u4ece\u673a\u5668\u5b66\u4e60\u6280\u672f\u5165\u624b\uff0c\u8bc6\u522b\u51fa\u590d\u6742\u7cfb\u7edf\u4e2d\u548c\u4e0d\u540c\u5c3a\u5ea6\u4e4b\u95f4\u7684\u65b0\u76f8\u5173\u6027\u3002<\/p>\n<p><strong>\u4e8c\u3001\u6210\u679c\u63a0\u5f71<\/strong><\/p>\n<p>\u7f8e\u56fd\u52a0\u5dde\u5927\u5b66\u4f2f\u514b\u5229\u5206\u6821\u7684\u96f7\u5e72\u57ce\uff08Steven G. Louie\uff09\u9662\u58eb\u901a\u8fc7\u56db\u7bc7\u8bc4\u8bba\u6587\u7ae0\u5bf9\u8ba1\u7b97\u6750\u6599\u8bbe\u8ba1\u7684\u56db\u4e2a\u4e3b\u8981\u9886\u57df\u8fdb\u884c\u4e86\u6df1\u5165\u7684\u56de\u987e\u3002\u91c7\u7528\u7684\u65b9\u6cd5\u8303\u56f4\u4ece\u7b2c\u4e00\u6027\u539f\u7406\u6280\u672f\uff0c\u5230\u591a\u5c3a\u5ea6\u5efa\u6a21\uff0c\u5230\u80f6\u4f53\u81ea\u7ec4\u88c5\u7684\u6a21\u62df\uff0c\u4ee5\u53ca\u673a\u5668\u5b66\u4e60\u5728\u8fd9\u4e9b\u9886\u57df\u7684\u5e94\u7528\u3002\u4f5c\u8005\u7b80\u8981\u6982\u8ff0\u4e86\u6750\u6599\u8ba1\u7b97\u5efa\u6a21\u65b9\u9762\u7684\u4e00\u4e9b\u663e\u8457\u8fdb\u5c55\uff0c\u5e76\u8ba8\u8bba\u4e86\u8be5\u9886\u57df\u7684\u4e00\u4e9b\u4e3b\u8981\u6311\u6218\u548c\u673a\u9047\u3002<\/p>\n<p>\u76f8\u5173\u7814\u7a76\u5de5\u4f5c\u4ee5\u201c<strong>Discovering and understanding materials through computation<\/strong>\u201d\u4e3a\u9898\u53d1\u8868\u5728\u56fd\u9645\u9876\u7ea7\u671f\u520a<em>Nature Materials<\/em>\u4e0a\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-full wp-image-246582\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2023\/01\/1-34.png\" alt=\"\" width=\"1070\" height=\"471\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2023\/01\/1-34.png 1070w, \/\/m.iemloyee.com\/wp-content\/uploads\/2023\/01\/1-34-300x132.png 300w, \/\/m.iemloyee.com\/wp-content\/uploads\/2023\/01\/1-34-768x338.png 768w, \/\/m.iemloyee.com\/wp-content\/uploads\/2023\/01\/1-34-1024x451.png 1024w\" sizes=\"(max-width: 1070px) 100vw, 1070px\" \/><\/p>\n<p><strong>\u4e09\u3001\u6838\u5fc3\u521b\u65b0\u70b9<\/strong><\/p>\n<p>\u7814\u7a76\u7b80\u8981\u6982\u8ff0\u7b2c\u4e00\u6027\u539f\u7406\u6280\u672f\uff0c\u5230\u591a\u5c3a\u5ea6\u5efa\u6a21\uff0c\u5230\u80f6\u4f53\u81ea\u7ec4\u88c5\u7684\u6a21\u62df\uff0c\u4ee5\u53ca\u673a\u5668\u5b66\u4e60\u56db\u4e2a\u9886\u57df\u7684\u8fdb\u5c55\uff0c\u5e76\u5c31\u672a\u6765\u7684\u6311\u6218\u548c\u673a\u9047\u63d0\u4f9b\u4e00\u4e9b\u8bc4\u8bba\u3002\u4f5c\u8005\u8ba4\u4e3a\u8d8a\u6765\u8d8a\u5f3a\u5927\u548c\u901a\u7528\u7684\u8ba1\u7b97\u65b9\u6cd5\uff0c\u52a0\u4e0a\u65b0\u7684\u6982\u5ff5\u7406\u89e3\u548c\u673a\u5668\u5b66\u4e60\u7b49\u6280\u672f\u7684\u53d1\u5c55\uff0c\u5c06\u5728\u672a\u6765\u79d1\u5b66\u6280\u672f\u6750\u6599\u7684\u641c\u7d22\u548c\u53d1\u73b0\u4e2d\u53d1\u6325\u6307\u5bfc\u4f5c\u7528\u3002<\/p>\n<p><strong>\u56db\u3001\u6570\u636e\u6982\u89c8<\/strong><\/p>\n<p><strong><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-full wp-image-246583\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2023\/01\/2-34.png\" alt=\"\" width=\"1126\" height=\"860\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2023\/01\/2-34.png 1126w, \/\/m.iemloyee.com\/wp-content\/uploads\/2023\/01\/2-34-300x229.png 300w, \/\/m.iemloyee.com\/wp-content\/uploads\/2023\/01\/2-34-768x587.png 768w, \/\/m.iemloyee.com\/wp-content\/uploads\/2023\/01\/2-34-1024x782.png 1024w\" sizes=\"(max-width: 1126px) 100vw, 1126px\" \/><\/strong><\/p>\n<p><strong>\u56fe1 \u8ba1\u7b97\u6750\u6599\u79d1\u5b66\u9e1f\u77b0\u56fe\u3002\u00a9 2021 The Authors<\/strong><\/p>\n<p>a\uff0c\u5f53\u4ee3\u91cf\u5b50\u548c\u7ecf\u5178\u8ba1\u7b97\u65b9\u6cd5\u6d89\u53ca\u4ece\u5fae\u89c2\u957f\u5ea6\u5c3a\u5ea6(~0.1 nm)\u5230\u5b8f\u89c2\u957f\u5ea6\u5c3a\u5ea6(~1 mm)\u7684\u7cfb\u7edf\u3002b\uff0c\u57fa\u4e8e\u4e0d\u540c\u7406\u8bba\u5c42\u6b21\u7684\u8ba1\u7b97\u65b9\u6cd5\u63d0\u4f9b\u4e86\u4e0d\u540c\u7684\u7cbe\u5ea6\u3002c\uff0c\u4e0d\u540c\u7684\u73b0\u8c61\u51fa\u73b0\u5728\u4e0d\u540c\u7684\u7cfb\u7edf\u5c3a\u5ea6\u4e0a\uff0c\u7406\u8bba\u6c34\u5e73\u56e0\u95ee\u9898\u7684\u6027\u8d28\u800c\u5f02\u3002<\/p>\n<p><strong><img loading=\"lazy\" decoding=\"async\" class=\"alignnone size-full wp-image-246584\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2023\/01\/3-33.png\" alt=\"\" width=\"631\" height=\"737\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2023\/01\/3-33.png 631w, \/\/m.iemloyee.com\/wp-content\/uploads\/2023\/01\/3-33-257x300.png 257w\" sizes=\"(max-width: 631px) 100vw, 631px\" \/><\/strong><\/p>\n<p><strong>\u56fe2 \u6750\u6599\u4e2d\u7684\u91cf\u5b50\u6fc0\u53d1\u3002\u00a9 2021 The 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class=\"alignnone size-full wp-image-246585\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2023\/01\/4-32.png\" alt=\"\" width=\"1098\" height=\"769\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2023\/01\/4-32.png 1098w, \/\/m.iemloyee.com\/wp-content\/uploads\/2023\/01\/4-32-300x210.png 300w, \/\/m.iemloyee.com\/wp-content\/uploads\/2023\/01\/4-32-768x538.png 768w, \/\/m.iemloyee.com\/wp-content\/uploads\/2023\/01\/4-32-1024x717.png 1024w\" sizes=\"(max-width: 1098px) 100vw, 1098px\" \/>\u56fe3 \u6750\u6599\u6a21\u62df\u3002\u00a9 2021 The 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