{"id":142575,"date":"2018-06-19T06:30:23","date_gmt":"2018-06-18T22:30:23","guid":{"rendered":"\/\/m.iemloyee.com\/?p=142575"},"modified":"2018-06-17T14:46:29","modified_gmt":"2018-06-17T06:46:29","slug":"phy-rev-lett-%ef%bc%9a%e9%80%9a%e8%bf%87x%e5%b0%84%e7%ba%bf%e5%90%b8%e6%94%b6%e7%b2%be%e7%bb%86%e7%bb%93%e6%9e%84%e8%b0%b1%e6%9d%a5%e8%a1%a8%e5%be%81%e7%bb%93%e6%9e%84%e8%bd%ac%e5%8f%98%e7%9a%84","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=142575","title":{"rendered":"Phy. Rev. Lett.\uff1a\u901a\u8fc7X\u5c04\u7ebf\u5438\u6536\u7cbe\u7ec6\u7ed3\u6784\u8c31\u6765\u8868\u5f81\u7ed3\u6784\u8f6c\u53d8\u7684\u795e\u7ecf\u7f51\u7edc\u65b9\u6cd5"},"content":{"rendered":"<p><strong>\u3010\u5f15\u8a00\u3011<\/strong><\/p>\n<p>\u5728\u5757\u4f53\u6750\u6599\u4e0e\u7eb3\u7c73\u6750\u6599\u4e2d\uff0c\u539f\u5b50\u4f4d\u7f6e\u4e0e\u5468\u671f\u6027\u6676\u683c\u4f4d\u7f6e\u7684\u5c40\u90e8\u504f\u79bb\u7ecf\u5e38\u5bfc\u81f4\u6750\u6599\u4ea7\u751f\u72ec\u7279\u7684\u7ed3\u6784\u4e0e\u529f\u80fd\u3002\u5c40\u90e8\u539f\u5b50\u7684\u4f4d\u79fb\u5728\u5f88\u591a\u8fc7\u7a0b\u4e2d\uff08\u5982\u5316\u5b66\u53cd\u5e94\u548c\u76f8\u53d8\uff09\u81f3\u5173\u91cd\u8981\uff0c\u5e76\u4e14\u901a\u5e38\u662f\u89e3\u91ca\u529f\u80fd\u6750\u6599\u7684\u5de5\u4f5c\u673a\u7406\u548c\u6027\u8d28\u7684\u5173\u952e\u3002\u5982\u679c\u5c40\u90e8\u7578\u53d8\u7684\u957f\u5ea6\u77ed\u4e8e\u76f8\u5e72\u6563\u5c04\u533a\u57df\u7684\u5927\u5c0f\uff0c\u90a3\u4e48\u4e00\u4e9b\u5bf9\u957f\u7a0b\u6709\u5e8f\u6bd4\u8f83\u654f\u611f\u7684\u65b9\u6cd5\u5c31\u96be\u4ee5\u89c2\u5bdf\u5230\u8fd9\u4e9b\u53d8\u5316\u8fc7\u7a0b\u3002\u800c\u4e14\u5f88\u591a\u60c5\u51b5\u4e0b\u5b9e\u9645\u539f\u5b50\u7684\u4f4d\u79fb\u91cf\u975e\u5e38\u5fae\u5c0f\uff0c\u901a\u5e38\u4e0d\u8d85\u8fc70.1-0.2 \u00c5\u3002<\/p>\n<p>\u6269\u5c55X\u5c04\u7ebf\u5438\u6536\u7cbe\u7ec6\u5149\u8c31\u7ed3\u6784\uff08EXAFS\uff09\u5bf9\u5c40\u90e8\u539f\u5b50\u7684\u4f4d\u79fb\u3001\u5143\u7d20\u7279\u5f81\u4ee5\u53ca\u632f\u52a8\u529b\u5b66\u7b49\u90fd\u5177\u6709\u5f88\u9ad8\u7684\u7075\u654f\u5ea6\uff08\u7cbe\u5ea6\u57280.01 \u00c5\u4ee5\u4e0a\uff09\u3002EXAFS\u53ef\u4ee5\u5728\u5e7f\u6cdb\u7684\u6761\u4ef6\u4e0b\u83b7\u5f97\uff0c\u56e0\u6b64\uff0c\u8be5\u6280\u672f\u66f4\u9002\u5408\u7528\u4e8e\u7ed3\u6784\u8f6c\u53d8\u7684\u539f\u4f4d\u7814\u7a76\u3002\u8bc6\u522b\u7531\u673a\u5668\u5b66\u4e60\uff08ML\uff09\u7684\u6700\u65b0\u8fdb\u5c55\u6240\u63d0\u4f9b\u7684\u5927\u6570\u636e\u96c6\u4e2d\u6a21\u5f0f\u4e0e\u76f8\u5173\u6027\u7684\u80fd\u529b\u53ef\u4ee5\u4e3a\u90a3\u4e9b\u4ece\u5b9e\u9a8c\u6570\u636e\u4e2d\u6240\u63d0\u53d6\u5c40\u90e8\u7ed3\u6784\u4e0a\u7684\u201c\u9690\u85cf\u201d\u4fe1\u606f\u63d0\u4f9b\u4e00\u4e9b\u65b0\u7684\u8def\u5f84\uff0c\u7814\u7a76\u8868\u660e\uff0c\u673a\u5668\u5b66\u4e60\u53ef\u4ee5\u4ece\u7eb3\u7c73\u9897\u7c92\u7684X\u5c04\u7ebf\u5438\u6536\u8fd1\u8fb9\u7ed3\u6784\uff08XANES\uff09\u4e2d\u63d0\u53d6\u5176\u7ed3\u6784\u63cf\u8ff0\u7b26\u3002<\/p>\n<p><strong>\u3010\u6210\u679c\u7b80\u4ecb\u3011<\/strong><\/p>\n<p>\u8fd1\u65e5\uff0c<strong>\u7ebd\u7ea6\u5dde\u7acb\u5927\u5b66\u77f3\u6eaa\u5206\u6821<\/strong>\u7684<strong>Janis Timoshenko<\/strong>\u548c<strong>Anatoly I. Frenkel\u6559\u6388\uff08\u5171\u540c\u901a\u8baf\u4f5c\u8005\uff09<\/strong>\u5728\u56fd\u9645\u77e5\u540d\u671f\u520a<strong>Physical Review Letters<\/strong>\u4e0a\u53d1\u8868\u9898\u4e3a\u201c<strong>Neural Network Approach for Characterizing Structural Transformations by X-Ray Absorption Fine Structure Spectroscopy<\/strong>\u201d\u7684\u7814\u7a76\u8bba\u6587\uff0c\u6587\u4e2d\u5f00\u53d1\u4e86\u4e00\u79cd\u65b9\u6cd5\u7528\u4ee5\u89e3\u91caEXAFS\u6570\u636e\u4e2d\u7684\u7ed3\u6784\u8f6c\u53d8\u4e0e\u65e0\u5e8f\u6548\u5e94\uff0c\u4f46\u8be5\u65b9\u6cd5\u5bf9XANES\u7684\u7075\u654f\u5ea6\u5219\u662f\u6709\u9650\u7684\uff0c\u800c\u673a\u5668\u5b66\u4e60\u53ef\u4ee5\u76f4\u63a5\u89e3\u91ca\u5757\u4f53\u4e0e\u7eb3\u7c73\u6750\u6599\u4e2d\u7684EXAFS\u7279\u5f81\u7684\u5f84\u5411\u5206\u5e03\u51fd\u6570\uff08RDF\uff09\uff0c\u800c\u4e0d\u9700\u5047\u8bbe\u4e00\u79cd\u7279\u5b9a\u7684\u65e0\u5e8f\u6a21\u578b\u3002\u7814\u7a76\u4eba\u5458\u91c7\u7528\u4e00\u79cd\u4eba\u5de5\u795e\u7ecf\u7f51\u7edc\u65b9\u6cd5\u4eceX\u5c04\u7ebf\u5438\u6536\u7cbe\u7ec6\u7ed3\u6784\u5149\u8c31\u4e2d\u76f4\u63a5\u63d0\u53d6\u6750\u6599\u7684\u5c40\u90e8\u7ed3\u6784\u53ca\u5176\u539f\u4f4d\u53d8\u5316\u7684\u4fe1\u606f\uff0c\u901a\u8fc7\u5206\u6790\u6e29\u5ea6\u8bf1\u5bfc\u76f8\u53d8\u8fc7\u7a0b\u4e2d\u94c1\u7d20\u4f53\u548c\u5965\u6c0f\u4f53\u4e2d\u539f\u5b50\u7684\u5f84\u5411\u5206\u5e03\u51fd\u6570\u6765\u8bc1\u660e\u8fd9\u79cd\u65b9\u6cd5\u7684\u53ef\u884c\u6027\u3002\u901a\u8fc7\u5bf9\u5f84\u5411\u5206\u5e03\u51fd\u6570\u79ef\u5206\uff0c\u53ef\u4ee5\u91cf\u5316\u94c1\u539f\u5b50\u914d\u4f4d\u53ca\u6750\u6599\u5bc6\u5ea6\u7684\u53d8\u5316\uff0c\u5e76\u4e14\u89c2\u5bdf\u5230\u94c1\u539f\u5b50\u4f53\u5fc3\u5230\u9762\u5fc3\u7acb\u65b9\u5206\u5e03\u7684\u8f6c\u53d8\u3002\u8fd9\u79cd\u65b9\u6cd5\u53ef\u4ee5\u5e7f\u6cdb\u9002\u7528\u4e8e\u5f88\u591a\u6750\u6599\u548c\u5b9e\u9a8c\u6761\u4ef6\u4e2d\u3002<\/p>\n<p><strong>\u3010\u56fe\u6587\u5bfc\u8bfb\u3011<\/strong><\/p>\n<p><strong>\u56fe\u4e00 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EXAFS<\/p>\n<p>\uff08b\uff09Morlet\u5c0f\u6ce2\u53d8\u6362\uff08WT\uff09\u7684\u6a21\u6570\uff0c\u5176\u4e2d\u7684\u865a\u7ebf\u8868\u793a<em>k<\/em>\u548c<em>R<\/em>\u7a7a\u95f4\u4e2d\u7684\u533a\u57df\uff0c\u5176\u5bf9\u7ed3\u6784\u53d8\u5316\u6700\u654f\u611f<\/p>\n<p>\uff08c\uff09\u5085\u91cc\u53f6\u53d8\u6362\uff08FT\uff09\u6a21\u6570<\/p>\n<p>\uff08d\uff09\u901a\u8fc7\u795e\u7ecf\u7f51\u7edc\u5904\u7406WT\u7684\u6570\u636e<\/p>\n<p>\uff08e\uff09\u5c06WT\u8c31\u4e2d\u7684\u7279\u5f81\u6620\u5c04\u5230RDF\u4e2d\u7684\u7279\u5f81\u8fd1\u4f3c\u76f4\u65b9\u56fe<\/p>\n<p><strong>\u56fe\u4e8c \u5757\u4f53\u94c1\u7684FT\u5b9e\u9a8c\u548c\u6a21\u62dfFe <em>K<\/em>-edge EXAFS<\/strong><\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"size-full wp-image-142577 aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2018\/06\/Fig2.png\" alt=\"\" width=\"600\" height=\"493\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2018\/06\/Fig2.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2018\/06\/Fig2-300x247.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>\u5728300\u548c1273 K\u7684\u6e29\u5ea6\u4e0b\uff0c\u7528\u4e8e\u5757\u4f53\u94c1\u7684FT\u5b9e\u9a8c\u548c\u6a21\u62df\uff08\u91c7\u7528\u5206\u5b50\u52a8\u529b\u5b66\uff08MD\uff09\u548c\u53cd\u5411\u8499\u7279\u5361\u6d1b\uff08RMC\uff09\u6cd5\uff09Fe <em>K<\/em>-edge EXAFS\uff0c\u5355\u72ec\u663e\u793a\u4e86MS\u8def\u5f84\u5bf9\u603b\u7684MD-EXAFS\u7684\u8d21\u732e\uff0c\u5bf9\u5e94\u4e8e1273 K\u65f6\u7684\u5149\u8c31\u5782\u76f4\u79fb\u52a8\u5e76\u4e58\u4ee55\uff0c\u63d2\u56fe\u8868\u660e\u4e86MD-EXAFS\u5bf9bcc\u548cfcc\u7684\u6e29\u5ea6\u4f9d\u8d56\u6027<\/p>\n<p><strong>\u56fe\u4e09 <em>k<\/em>\u7a7a\u95f4\u548c<em>R<\/em>\u7a7a\u95f4\u7684\u5b9e\u9a8cFe <em>K<\/em>-edge EXAFS<\/strong><\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"size-full wp-image-142578 aligncenter\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2018\/06\/Fig3.png\" alt=\"\" width=\"600\" height=\"418\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2018\/06\/Fig3.png 600w, \/\/m.iemloyee.com\/wp-content\/uploads\/2018\/06\/Fig3-300x209.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p>\uff08a\uff09300\u52301273 K\u7684\u6e29\u5ea6\u533a\u95f4\u4e2d\u7684<em>k<\/em>\u7a7a\u95f4\u5b9e\u9a8cFe <em>K<\/em>-edge EXAFS\uff0c\u56fe\u4e2d\u7bad\u5934\u8868\u793a\u5728\u4f4ek\u8303\u56f4\u5185\u7684\u7279\u5f81\uff0c\u5176\u53d8\u5316\u610f\u5473\u7740\u4ecebcc\u5230fcc\u7ed3\u6784\u53d1\u751f\u7684\u76f8\u53d8\uff08\u5982\u56feb\u63d2\u56fe\u6240\u793a\uff09<\/p>\n<p>\uff08b\uff09300\u52301273 K\u7684\u6e29\u5ea6\u533a\u95f4\u4e2d\u7684<em>R<\/em>\u7a7a\u95f4\u5b9e\u9a8cFe <em>K<\/em>-edge EXAFS\uff0c\u63d2\u56fe\u4e2d\u7684\u7bad\u5934\u8868\u793a\u5728\u8fd9\u4e24\u79cd\u7ed3\u6784\u4e2d\u4e3b\u8981FT-EXAFS\u5cf0\u6240\u5bf9\u5e94\u7684\u539f\u5b50\u5bf9<\/p>\n<p><strong>\u56fe\u56db 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href=\"https:\/\/journals.aps.org\/prl\/abstract\/10.1103\/PhysRevLett.120.225502\" target=\"_blank\" rel=\"noopener\">Neural Network Approach for Characterizing Structural Transformations by X-Ray Absorption Fine Structure Spectroscopy<\/a><\/strong>\uff08Physical Review Letters, 2018, DOI: 10.1103\/PhysRevLett.120.225502\uff09<\/p>\n<p>\u672c\u6587\u7531\u6750\u6599\u4eba\u7f16\u8f91\u90e8\u8ba1\u7b97\u6750\u6599\u7ec4\u675c\u6210\u6c5f\u7f16\u8bd1\u4f9b\u7a3f\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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