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\u673a\u5668\u5b66\u4e60<\/strong>\uff08Machine Learning, ML\uff09\u662f\u4e00\u95e8\u591a\u9886\u57df\u4ea4\u53c9\u5b66\u79d1\uff0c\u6d89\u53ca\u6982\u7387\u8bba\u3001\u7edf\u8ba1\u5b66\u3001\u903c\u8fd1\u8bba\u3001\u51f8\u5206\u6790\u3001\u7b97\u6cd5\u590d\u6742\u5ea6\u7406\u8bba\u7b49\u591a\u95e8\u5b66\u79d1\u3002\u4e13\u95e8\u7814\u7a76\u8ba1\u7b97\u673a\u600e\u6837\u6a21\u62df\u6216\u5b9e\u73b0\u4eba\u7c7b\u7684\u5b66\u4e60\u884c\u4e3a\uff0c\u4ee5\u83b7\u53d6\u65b0\u7684\u77e5\u8bc6\u6216\u6280\u80fd\uff0c\u91cd\u65b0\u7ec4\u7ec7\u5df2\u6709\u7684\u77e5\u8bc6\u7ed3\u6784\u4f7f\u4e4b\u4e0d\u65ad\u6539\u5584\u81ea\u8eab\u7684\u6027\u80fd\u3002\u5b83\u662f\u4eba\u5de5\u667a\u80fd\u7684\u6838\u5fc3\uff0c\u662f\u4f7f\u8ba1\u7b97\u673a\u5177\u6709\u667a\u80fd\u7684\u6839\u672c\u9014\u5f84\uff0c\u5176\u5e94\u7528\u904d\u53ca\u4eba\u5de5\u667a\u80fd\u7684\u5404\u4e2a\u9886\u57df\uff0c\u5b83\u4e3b\u8981\u4f7f\u7528\u5f52\u7eb3\u3001\u7efc\u5408\u800c\u4e0d\u662f\u6f14\u7ece\u3002<\/p>\n

\u7845\uff08<\/strong>Si<\/strong>\uff09<\/strong>\u662f\u4e00\u79cd\u5bc6\u5ea6\u4f1a\u968f\u7740\u7194\u5316\u800c\u589e\u52a0\u7684\u5c0f\u7c7b\u5143\u7d20\u3002\u4f8b\u5982\uff0c\u6f02\u6d6e\u5728\u6db2\u6001\u6c34\u4e0a\u65b9\u7684\u7ed3\u6676\u51b0\u4e5f\u6709\u8fd9\u79cd\u4e0d\u5bfb\u5e38\u7684\u884c\u4e3a\u3002\u8fd9\u79cd\u610f\u60f3\u4e0d\u5230\u7684\u56fa\u4f53\u548c\u6db2\u4f53\u5bc6\u5ea6\u7684\u9006\u8f6c\u4e0e\u4e00\u79cd\u79f0\u4e3a\u591a\u6676\u73b0\u8c61\u6709\u5173\uff0c\u800c\u591a\u6676\u73b0\u8c61<\/strong>\u662f\u6307\u4e00\u79cd\u7269\u8d28\u4ee5\u5177\u6709\u4e0d\u540c\u7ed3\u6784\u548c\u6027\u8d28\u7684\u4e0d\u540c\u975e\u6676\u76f8\u5b58\u5728\u7684\u80fd\u529b\u3002<\/p>\n

\u3010\u6210\u679c\u4ecb\u7ecd\u3011<\/strong><\/p>\n

\u76ee\u524d\uff0c\u6700\u5148\u8fdb\u7684\u5b9e\u9a8c\u548c\u8ba1\u7b97\u6280\u672f\u624b\u6bb5\u5bf9\u975e\u6676\u6001Si\u4e2d\u7684\u7ed3\u6784\u8f6c\u53d8\u4ecd\u7f3a\u4e4f\u8be6\u7ec6\u7684\u673a\u7406\u7406\u89e3\u3002\u57282021\u5e741\u67086\u65e5\uff0cNature<\/strong>\u5728\u7ebf\u53d1\u8868\u4e86\u9898\u4e3a\u201cOrigins of structural and electronic transitions in disordered silicon<\/strong>\u201d\u7684\u6587\u7ae0\u3002\u5728\u6587\u4e2d\uff0c\u82f1\u56fd\u725b\u6d25\u5927\u5b66<\/strong>Volker L. Deringer<\/strong>\uff08\u901a\u8baf\u4f5c\u8005\uff09\u7b49\u4eba<\/strong>\u5c55\u793a\u4e86\u5728\u7cbe\u786e\u7684\u91cf\u5b50\u529b\u5b66\u8ba1\u7b97\u4e0a\u7684\u539f\u5b50\u673a\u5668\u5b66\u4e60\u6a21\u578b\u5982\u4f55\u5e2e\u52a9\u63cf\u8ff0100000\u4e2a\u539f\u5b50\uff0810 nm\u957f\u5ea6\uff09\u7cfb\u7edf\u7684\u6db2\u6001-\u975e\u6676\u6001\u548c\u975e\u6676\u6001-\u975e\u6676\u6001\u8f6c\u53d8\uff0c\u9884\u6d4b\u7ed3\u6784\u3001\u7a33\u5b9a\u6027\u548c\u7535\u5b50\u6027\u8d28\u3002\u8be5\u6a21\u62df\u63ed\u793a\u4e86\u975e\u6676\u6001Si\u5728\u4e0d\u65ad\u589e\u52a0\u7684\u5916\u90e8\u538b\u529b\u4e0b\u7684\u4e09\u6b65\u8f6c\u53d8\u8fc7\u7a0b\uff1a\u9996\u5148\uff0c\u53d1\u73b0\u4e86\u591a\u6676\u6001\u4f4e\u5bc6\u5ea6\u548c\u9ad8\u5bc6\u5ea6\u975e\u6676\u6001\u533a\u5171\u5b58\uff0c\u800c\u4e0d\u662f\u4f9d\u6b21\u51fa\u73b0\uff1b\u63a5\u7740\uff0c\u89c2\u5bdf\u5230\u4e86\u4e00\u4e2a\u7ed3\u6784\u574d\u584c\u53d8\u6210\u4e00\u4e2a\u72ec\u7279\u7684\u975e\u5e38\u9ad8\u5bc6\u5ea6\u7684\u975e\u6676\uff08VHDA\uff09\u76f8\uff1b\u6700\u540e\uff0c\u8be5\u6a21\u62df\u8868\u660e\u8fd9\u79cdVHDA\u76f8\u7684\u77ac\u6001\u6027\u8d28\uff1a\u5b83\u80fd\u8fc5\u901f\u5730\u4f7f\u5fae\u6676\u6210\u6838\uff0c\u6700\u7ec8\u5f62\u6210\u591a\u6676\u7ed3\u6784\uff0c\u4e0e\u5b9e\u9a8c\u7ed3\u679c\u4e00\u81f4\uff0c\u4f46\u662f\u5728\u65e9\u671f\u7684\u6a21\u62df\u4e2d\u6ca1\u6709\u53d1\u73b0\u3002\u7535\u5b50\u6001\u5bc6\u5ea6\u7684\u673a\u5668\u5b66\u4e60\u6a21\u578b\u8bc1\u5b9e\u4e86\u5728VHDA\u5f62\u6210\u548c\u968f\u540e\u7ed3\u6676\u8fc7\u7a0b\u4e2d\u91d1\u5c5e\u4e30\u5ea6\u5f00\u59cb\u53d8\u5316\u3002\u603b\u4e4b\uff0c\u8fd9\u4e9b\u7ed3\u679c\u63ed\u793a\u4e86\u7845\u7684\u6db2\u6001\u548c\u975e\u6676\u6001\u8f6c\u53d8\uff0c\u5e76\u4e14\u5728\u66f4\u5e7f\u6cdb\u7684\u80cc\u666f\u4e0b\uff0c\u8bf4\u660e\u4e86\u673a\u5668\u5b66\u4e60\u9a71\u52a8\u7684\u65b9\u6cd5\u6765\u9884\u6d4b\u6750\u6599\u5efa\u6a21\u3002<\/p>\n

\"\"<\/p>\n

\"\"<\/p>\n

\u5728\u540c\u4e00\u5929\uff0cNature<\/strong>\u4e0a\u53d1\u8868\u4ee5\u9898\u4e3a\u201cMachine learning reveals the complexity of dense amorphous silicon<\/strong>\u201d\u7684\u8bc4\u8bba\u6587\u7ae0\u3002<\/p>\n

\"\"<\/p>\n

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\u3010\u6210\u679c\u5256\u6790\u3011<\/strong><\/p>\n

1\u3001\u8be5\u6a21\u578b\u53ef\u4ee5\u4e3a100000\u4e2aSi\u539f\u5b50\u7684\u7cfb\u7edf\u4ece\u6db2\u6001\u51b7\u5374\u5e76\u538b\u7f29\u5230\u9ad8\u8fbe200000\u4e2a\u5927\u6c14\u538b\uff0820 GPa\uff09\u7684\u538b\u529b\u63d0\u4f9b\u4e86\u524d\u6240\u672a\u6709\u7684\u6709\u5173\u7ed3\u6784\u548c\u952e\u80fd\u4fe1\u606f\uff0c\u8868\u793a\u53ef\u4ee5\u5efa\u6a21\u7684\u539f\u5b50\u6570\u91cf\u5927\u5927\u589e\u3002<\/p>\n

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3\u3001\u6700\u5173\u952e\u7684\u662f\uff0c\u8be5\u6a21\u62df\u7cfb\u7edf\u8db3\u591f\u5927\uff0c\u65e2\u53ef\u4ee5\u63ed\u793a\u975e\u6676\u6001\u539f\u5b50\u56e2\u7c07\u7684\u4e9a\u7a33\u6001\u805a\u96c6\uff0c\u53c8\u63ed\u793a\u4e86\u7ed3\u6676\u73b0\u8c61\uff0c\u800c\u8fd9\u4e9b\u73b0\u8c61\u65e0\u6cd5\u901a\u8fc7\u4f7f\u7528\u8f83\u5c11\u539f\u5b50\u6570\u7684\u6a21\u62df\u6216\u4f7f\u7528\u4e0d\u592a\u7cbe\u786e\u7684\u6a21\u578b\u6765\u63cf\u8ff0\u3002<\/p>\n

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5\u3001\u5728\u538b\u7f29\u8fc7\u7a0b\u4e2d\u53d1\u751f\u7684\u7ed3\u6784\u53d8\u5316\u6bd4\u4ee5\u524d\u7684\u66f4\u4e3a\u590d\u6742\uff0c\u975e\u6676\u6001\u7ed3\u6784\u662f\u9010\u6e10\u6f14\u5316\uff0c\u4ea7\u751f\u9ad8\u914d\u4f4d\u6570\u7684\u9ad8\u5bc6\u5ea6\u7eb3\u7c73\u7574\uff0c\u8fd9\u4e9b\u7574\u5728\u539f\u6765\u7684\u56db\u9762\u4f53LDA\u7ed3\u6784\u4e2d\u53d8\u5316\u3002<\/p>\n

6\u3001\u968f\u7740\u5bc6\u5ea6\u7684\u589e\u52a0\uff0cHDA\u7574\u95f4\u5f62\u6210\u4e86\u8fde\u63a5\uff0c\u4ea7\u751f\u4e00\u79cd\u5177\u6709\u5927\u5757\u91d1\u5c5e\u5bfc\u7535\u6027\u7684\u6750\u6599\u3002\u5728\u5b9e\u9645\u4e2d\uff0c\u901a\u8fc7\u5bf9\u538b\u7f29\u7684Si\u65bd\u52a0\u5b9a\u5411\u5e94\u529b\uff0c\u6709\u53ef\u80fd\u6539\u53d8\u8fd9\u79cd\u91d1\u5c5e\u5bfc\u7535\u6027\u3002<\/p>\n

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\"\"\u56fe1\u3001\u5927\u89c4\u6a21\u7684\u6a21\u62df\u975e\u6676\u6001Si<\/p>\n

\u6b64\u5916\uff0c\u8be5\u65b9\u6cd5\u80fd\u591f\u7cbe\u786e\u6a21\u62df\u76ae\u79d2\uff081 ps=10-12<\/sup> s\uff09\u65f6\u95f4\u5c3a\u5ea6\u4e0a\u7684\u975e\u6676\u6001Si\u7ed3\u6784\u3001\u6db2\u4f53\u548c\u6676\u76f8\u4e4b\u95f4\u3001\u6db2\u4f53\u548c\u73bb\u7483\u4e4b\u95f4\u4ee5\u53ca\u4e24\u4e2a\u975e\u6676\u6001\u76f8\u4e4b\u95f4\u8f6c\u53d8\u76f8\u5173\u7684\u6e29\u5ea6\u548c\u538b\u529b\u8303\u56f4\u3002\u56e0\u6b64\uff0c\u8be5\u6210\u679c\u63d0\u4f9b\u4e86\u4e00\u4e2a\u673a\u4f1a\u6765\u7814\u7a76\u96be\u4ee5\u63a2\u6d4b\u7684\u5927\u91cf\u975e\u6676\u6001\u6750\u6599\u7684\u8f6c\u53d8\uff0c\u4e5f\u6709\u52a9\u4e8e\u63a2\u7d22\u5c06\u975e\u6676\u6001Si\u6216Si\u4e2d\u542b\u6709\u5c11\u91cf\u5176\u4ed6\u5143\u7d20\u7684\u63ba\u6742\u6750\u6599\u8f6c\u5316\u4e3a\u542b\u6709\u91d1\u5c5e\u548c\u534a\u5bfc\u4f53\u7574\u7684\u7eb3\u7c73\u7ed3\u6784\u3002\u603b\u4e4b\uff0c\u8fd9\u79cd\u7eb3\u7c73\u7ed3\u6784\u53ef\u4ee5\u4e3a\u5f00\u53d1\u65b0\u6280\u672f\uff0c\u5982\u7535\u5b50\u901a\u4fe1\u3001\u6570\u636e\u5904\u7406\u548c\u80fd\u91cf\u6536\u96c6\u7b49\u9886\u57df\u63d0\u4f9b\u8bb8\u591a\u673a\u4f1a\u3002<\/p>\n

\u6587\u732e\u94fe\u63a5\uff1a<\/strong><\/p>\n

1.https:\/\/www.nature.com\/articles\/s41586-020-03072-z<\/p>\n

2\uff0chttps:\/\/www.nature.com\/articles\/d41586-020-03574-w<\/p>\n

\u672c\u6587\u7531CQR<\/strong>\u7f16\u8bd1\u3002<\/p>\n

\u6b22\u8fce\u5927\u5bb6\u5230\u6750\u6599\u4eba\u5ba3\u4f20\u79d1\u6280\u6210\u679c\u5e76\u5bf9\u6587\u732e\u8fdb\u884c\u6df1\u5165\u89e3\u8bfb\uff0c\u6295\u7a3f\u90ae\u7bb1\uff1a<\/strong>tougao@cailiaoren.com.<\/p>\n

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