{"id":164984,"date":"2019-01-17T06:30:01","date_gmt":"2019-01-16T22:30:01","guid":{"rendered":"http:\/\/www.cailiaoniu.com\/?p=164984"},"modified":"2019-04-26T14:16:45","modified_gmt":"2019-04-26T06:16:45","slug":"%e6%8a%80%e6%9c%af%e4%b8%93%e6%a0%8f%ef%bc%9axrd%e7%b2%be%e4%bf%ae%e4%bb%aa%e5%99%a8%e5%8f%82%e6%95%b0%e6%96%87%e4%bb%b6%e7%9a%84%e8%8e%b7%e5%8f%96%e5%8f%8a%e8%b0%83%e6%95%b4%ef%bc%88%e4%b8%80","status":"publish","type":"post","link":"http:\/\/www.cailiaoniu.com\/?p=164984","title":{"rendered":"\u6280\u672f\u4e13\u680f\uff1aXRD\u7cbe\u4fee\u4eea\u5668\u53c2\u6570\u6587\u4ef6\u7684\u83b7\u53d6\u53ca\u8c03\u6574\uff08\u4e00\uff09"},"content":{"rendered":"

\u3010\u5f15\u8bed\u3011\u6750\u6599\u4eba\u73b0\u5728\u8bbe\u7acb\u5404\u79cd\u6587\u7ae0\u4e13\u680f\uff0c\u6240\u6d89\u53ca\u9886\u57df\u6b63\u5728\u6162\u6162\u5b8c\u5584\uff0c\u7531\u6b64\u4e5f\u9700\u8981\u66f4\u591a\u7684\u4e13\u680f\u4f5c\u8005\uff0c\u6ca1\u9519\uff0c\u6211\u4eec\u6b63\u5728\u62db\u5175\u4e70\u9a6c\uff0c\u671f\u5f85\u4f60\u4eec\u7684\u52a0\u5165\uff0c\u6709\u610f\u5411\u7684\u5c0f\u4f19\u4f34\u53ef\u76f4\u63a5\u8054\u7cfbcailiaorenVIP\u3002\u4e0d\u8981\u518d\u72b9\u8c6b\uff0c\u4e0b\u4e00\u4e2a\u4e13\u680f\u521b\u59cb\u4eba\u5c31\u662f\u4f60\u3002\u8bf7\u8bb0\u4f4f\uff1a\u7eb5\u7136\u4f60\u79bb\u6211\u5343\u91cc\u4e07\u91cc\uff0c\u6211\u90fd\u5728\u6750\u6599\u4eba\u7b49\u4f60\uff01<\/strong><\/p>\n

1 <\/b><\/strong>\u5f15\u8a00<\/b><\/strong><\/p>\n

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\u56fe1\u00a0\u4eea\u5668\u53c2\u6570\u6587\u4ef6<\/p>\n

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2<\/b><\/strong>\u00a0<\/b><\/strong>\u4eea\u5668\u53c2\u6570\u6587\u4ef6\u5185\u5bb9\u89e3\u6790<\/b><\/strong><\/p>\n

\u4eea\u5668\u53c2\u6570\u6587\u4ef6\u4e00\u822c\u53ef\u4ee5\u91c7\u7528\u4e24\u79cd\u65b9\u6cd5\u6765\u8fdb\u884c\u6253\u5f00\u7f16\u8f91\u3002\u4e00\u662f\u91c7\u7528Windows\u81ea\u5e26\u7684\u8bb0\u4e8b\u672c\u548c\u5199\u5b57\u677f\uff0c\u5982\u56fe2\u6240\u793a\uff0c\u4e0d\u8fc7\u5728\u6b64\u6761\u4ef6\u4e0b\u4eea\u5668\u53c2\u6570\u663e\u5f97\u4e0d\u662f\u90a3\u4e48\u76f4\u89c2\u6613\u61c2\u3002\u4e8c\u662f\u91c7\u7528GSAS\u7cbe\u4fee\u8f6f\u4ef6\u6765\u6253\u5f00\uff0c\u7ed3\u679c\u7b80\u5355\u660e\u4e86\uff0c\u5982\u56fe3\u6240\u793a\u3002\u4e0b\u9762\u5c31\u4ee5\u56fe3\u4e3a\u57fa\u7840\u6765\u4ecb\u7ecdGSAS\u6587\u4ef6\u5305\u542b\u7684\u5185\u5bb9\u3002<\/p>\n

\u56fe2 \u7528Windows\u81ea\u5e26\u7684\u5199\u5b57\u677f\u67e5\u770b\u4eea\u5668\u53c2\u6570\u6587\u4ef6<\/p>\n

\"\"<\/p>\n

\u56fe3 \u7528GSAS\u6253\u5f00\u67e5\u770b\u4eea\u5668\u53c2\u6570\u6587\u4ef6<\/p>\n

\"\"<\/p>\n

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\uff081\uff09\u4eea\u5668\u7269\u7406\u53c2\u6570\u90e8\u5206\u3002\u56fe4\u4e2d\u7ea2\u8272\u65b9\u6846\u5185\u7684\u90e8\u5206\u5373\u662f\u4eea\u5668\u7269\u7406\u53c2\u6570\u4fe1\u606f\uff0c1\u662f\u6fc0\u53d1\u9776\u7c7b\u578b\uff08Cu\u9776\uff0cFe\u9776\uff0cMo\u9776\u2026\u2026\uff09;\u00a02\u8868\u793a\u4eea\u5668\u662f\u5426\u6709\u5355\u8272\u5668\uff0cmonochromatic\u4ee3\u8868\u6709\u5355\u8272\u5668\uff1b3\u00a0\u8868\u793aX\u5c04\u7ebf\u7684\u6ce2\u957f\uff0c\u5bf9\u4e8e\u94dc\u9776\uff0cprimary\u8868\u793aK\u03b11\uff0csecondary\u8868\u793aK\u03b12\uff0c\u5982\u679c\u6ca1\u6709\u5355\u8272\u5668\u5b83\u4eec\u7684\u6bd4\u4f8b\u662f0.5\uff0c\u5982\u679c\u6709\u5355\u8272\u5668\uff0c\u5219K\u03b12\u662f0\uff1b4\u662f\u8fdb\u884c\u96f6\u70b9\u77eb\u6b63\uff1b5\u662f\u6781\u5316\u77eb\u6b63\uff1b6\u662f\u6781\u5316\u6bd4\u4f8b\uff0c\u94dc\u9776\u662f0.7\uff0c\u77f3\u58a8\u5355\u8272\u5668\u662f1\u3002<\/p>\n

\u56fe4 \u4eea\u5668\u7269\u7406\u53c2\u6570\u90e8\u5206<\/p>\n

\"\"<\/p>\n

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\u5404\u4e2a\u53c2\u6570\u7684\u7b80\u5355\u542b\u4e49\u5982\u4e0b\uff1aU\uff0cV\uff0cW\uff0cP\u662f\u9ad8\u65af\u51fd\u6570\u534a\u9ad8\u5bbd\u65b9\u7a0b\u7cfb\u6570\uff1bLX\uff0cLY\u8868\u793aLorentzian\u65b9\u7a0b\u6676\u7c92\u5bbd\u5316\u548c\u5e94\u529b\u5bbd\u5316\uff1btrans\u8868\u793a\u6837\u54c1\u900f\u660e\u7cfb\u6570\uff1basym\u662f\u5cf0\u5f62\u4e0d\u5bf9\u79f0\u7cfb\u6570\uff1bshft\u8868\u793a\u6837\u54c1\u504f\u79bb\u7cfb\u6570\uff1bstec\uff0cptec\uff0csfec\u8868\u793aLorentzian\u65b9\u7a0b\u5e94\u53d8\uff0c\u6676\u7c92\u5404\u5411\u5f02\u6027\u5bbd\u5316\u548c\u4e9a\u6676\u683c\u5bbd\u5316\uff1bL11-L23\u8868\u793a\u5fae\u5e94\u53d8\u5404\u5411\u5f02\u6027\u76f8\u5173\u53c2\u6570\u3002\u5bf9\u4e8e\u7b2c\u4e09\u79cd\uff08Pseudo-Voigt\/FCJ Asym\uff09\u5cf0\u5f62\u51fd\u6570\u8fd8\u6709S\/L\u548cH\/L\u53c2\u6570\uff0c\u5b83\u4eec\u4e5f\u662f\u5cf0\u5f62\u4e0d\u5bf9\u79f0\u6027\u53c2\u6570\uff0c\u7528\u6765\u77eb\u6b63\u4f4e\u89d2\u5ea6\u4e0b\u7684\u5cf0\u7684\u5bf9\u79f0\u6027\u3002\u4e0d\u8fc7\uff0c\u6211\u4eec\u4e00\u822c\u53ea\u9700\u5148\u8bbe\u5b9a\u597dU\uff0cV\uff0cW\uff0cLX\uff0cLY\u7684\u521d\u503c\u5c31\u597d\uff0c\u5176\u4ed6\u7684\u53c2\u6570\u53ef\u4ee5\u5148\u4e0d\u7ba1\u3002<\/p>\n

\u56fe5 \u5cf0\u5f62\u51fd\u6570\u53c2\u6570\u90e8\u5206<\/p>\n

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\u56fe6 \u5cf0\u5f62\u51fd\u6570\u7684\u7c7b\u578b<\/p>\n

\"\"<\/p>\n

\uff083\uff09\u5176\u4ed6\u53c2\u6570\uff08\u5982\u56fe7\uff09\u3002\u5176\u4e2d\uff0cData\u00a0type\u662f\u6307\u6570\u636e\u7684\u7c7b\u578b\uff0c\u5982\u56fe8\u6240\u793a\uff0c\u5171\u5206\u4e3a\u56db\u79cd\uff0c \u5206\u522b\u662fTOF\uff08Time of flight\uff0c\u98de\u884c\u65f6\u95f4\u6570\u636e\uff09\uff0cCW\u00a0neutron\uff08constant\u00a0wavelength neutron\uff0c\u6052\u5b9a\u6ce2\u957f\u4e2d\u5b50\u884d\u5c04\u6570\u636e\uff09\uff0cCW\u00a0X-ray\uff08\u6052\u5b9a\u6ce2\u957fX\u5c04\u7ebf\u884d\u5c04\u6570\u636e\uff09\u548cED\u00a0X-ray\u00a0\uff08Energy\u00a0dispersive\u00a0X-ray\uff09\u3002\u6b64\u5916\u8fd8\u6709Title\u4ee5\u53caInstrument name\u7b49\u53c2\u6570\u3002<\/p>\n

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\"\"<\/p>\n

3<\/b><\/strong>\u00a0<\/b><\/strong>XRD\u7cbe\u4fee\u4eea\u5668\u6587\u4ef6\u7684\u83b7\u53d6\u53ca\u5176\u53c2\u6570\u8c03\u6574<\/b><\/strong><\/p>\n

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\uff081\uff09\u4eceXRD\u5b9e\u9a8c\u8001\u5e08\uff0c\u5b9e\u9a8c\u5ba4\u5e08\u5144\u5e08\u59d0\u6216\u5bfc\u5e08\u90a3\u91cc\u76f4\u63a5\u62ff\u5230\u4eea\u5668\u53c2\u6570\u6587\u4ef6\u3002\u56e0\u4e3a\u8bb8\u591a\u5b9e\u9a8c\u5ba4\u7684\u9879\u76ee\u90fd\u662f\u8fde\u8d2f\u7684\uff0c\u53ea\u8981\u4f60\u4e0d\u662f\u6253\u5934\u9635\u7684\uff0c\u5c31\u53ef\u4ee5\u901a\u8fc7\u8fd9\u79cd\u65b9\u6cd5\u6765\u5f97\u5230\u3002\u8fd9\u662f\u6700\u7b80\u5355\u6700\u76f4\u63a5\u7684\u65b9\u5f0f\u3002<\/p>\n

\uff082\uff09\u76f4\u63a5\u91c7\u7528GSAS\u8f6f\u4ef6\u91cc\u9762\u7684\u4eea\u5668\u53c2\u6570\u6587\u4ef6\u5e76\u7a0d\u4f5c\u8c03\u6574\u3002\u4e0b\u9762\u672c\u6587\u4ee5\u6700\u5e38\u89c1\u7684XRD\u7cbe\u4fee\u4e3a\u4f8b\uff0c\u8be6\u7ec6\u8bb2\u89e3\u5982\u4f55\u64cd\u4f5c\u3002<\/p>\n

A\u00a0\u5982\u56fe9\u6240\u793a\uff0c\u6253\u5f00GSAS\u8f6f\u4ef6\uff0c\u5355\u51fbAdd\u00a0New\u00a0Histogram\uff1b<\/p>\n

\u56fe9\u00a0\u5728Powder\u4e2d\u70b9\u51fbAdd\u00a0New\u00a0Histogram<\/p>\n

\"\"<\/p>\n

B\u8fd9\u65f6\u5c31\u4f1a\u6253\u5f00\u5982\u56fe10a\u6240\u793a\u7684\u5bf9\u8bdd\u6846\uff0c\u7136\u540e\u70b9\u51fbSelect\u00a0file\uff0c\u9009\u62e9GSAS\/example\u4e0b\u9762\u7684inst_xry.prm\u6587\u4ef6\uff08inst\uff1ainstrument\uff1bxry\uff1aX-ray\uff09\u5373\u53ef\uff1b<\/p>\n

\u56fe10 \u5728\u5bf9\u8bdd\u6846\u4e2d\u5355\u51fbselect\u00a0file\u5e76\u627e\u5230\u793a\u4f8b\u6587\u4ef6<\/p>\n

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