{"id":160329,"date":"2018-11-27T18:24:49","date_gmt":"2018-11-27T10:24:49","guid":{"rendered":"\/\/m.iemloyee.com\/?p=160329"},"modified":"2019-02-12T22:22:29","modified_gmt":"2019-02-12T14:22:29","slug":"%e4%ba%8c%e7%bb%b4%e6%9d%90%e6%96%99%e5%88%86%e5%ad%90%e5%8a%a8%e5%8a%9b%e5%ad%a6%e6%a8%a1%e6%8b%9f%e5%8c%97%e4%ba%ac%e5%bc%80%e8%ae%b2-%e8%bf%98%e9%80%81%e4%bb%b7%e5%80%bc600%e5%85%83%e7%9a%84","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=160329","title":{"rendered":"16\u4e2a\u5c0f\u65f6\u7684\u96f6\u57fa\u7840\u5206\u5b50\u52a8\u529b\u5b66\u5165\u95e8\u8bb2\u6388\u89c6\u9891"},"content":{"rendered":"

1\u67085\u65e56\u65e5\uff0c\u6750\u6599\u4eba\u4e3e\u529e\u4e86\u4e8c\u7ef4\u6750\u6599\u5206\u5b50\u52a8\u529b\u5b66\u7ebf\u4e0b\u57f9\u8bad\uff0c\u5e76\u5f55\u5236\u4e86\u89c6\u9891\u3002\u73b0\u5728\uff0c\u89c6\u9891\u5df2\u7ecf\u526a\u8f91\u5b8c\u6bd5\u5728\u6750\u6599\u4ebaAPP\u4e0a\u4e0a\u7ebf\u3002<\/p>\n

\u57f9\u8bad\u8bfe\u8868<\/strong><\/p>\n

\u7b2c\u4e00\u8282 \u5206\u5b50\u52a8\u529b\u5b66\u57fa\u7840\u7406\u8bba
\n 1.1 \u5206\u5b50\u52a8\u529b\u5b66\u57fa\u672c\u539f\u7406(\u5206\u5b50\u8fd0\u52a8\u8bba\u3001\u52bf\u51fd\u6570\u6a21\u578b)
\n 1.2 \u5206\u5b50\u52a8\u529b\u5b66\u5173\u952e\u6280\u672f\uff08\u529b\u573a\u9009\u62e9\u3001\u65f6\u95f4\u79ef\u5206\u5904\u7406\u3001\u6a21\u62df\u6761\u4ef6\u63a7\u5236\u3001\u6570\u503c\u6280\u5de7\uff09
\n 1.3 \u5206\u5b50\u52a8\u529b\u5b66\u7814\u7a76\u6d41\u7a0b\uff08\u8f6f\u4ef6\u9009\u62e9\u3001\u5efa\u6a21\u3001\u80fd\u91cf\u6700\u5c0f\u5316\u3001\u6a21\u62df\u3001\u7ed3\u679c\u5206\u6790<\/p>\n

\u7b2c\u4e8c\u8282 \u5206\u5b50\u52a8\u529b\u5b66\u8f6f\u4ef6\u5efa\u6a21\u57fa\u7840
\n 2.1 \u5bfc\u5165\u6a21\u578b\u3001\u57fa\u672c\u64cd\u4f5c\u3001\u5bfc\u51fa\u6a21\u578b
\n 2.2 \u7531\u6676\u4f53\u53c2\u6570\u6784\u5efa\u539f\u80de
\n 2.3 \u6784\u5efa\u8d85\u80de\u3001\u5f15\u5165\u7f3a\u9677
\n 2.4 \u5efa\u7acb\u8868\u9762\u3001\u8bbe\u7f6e\u771f\u7a7a\u5c42
\n 2.5 \u8349\u753b\u5206\u5b50
\n 2.6 \u4e8c\u7ef4\u6750\u6599\u8868\u9762\u6dfb\u52a0\u6307\u5b9a\u5206\u5b50
\n 2.7 \u6784\u5efa\u77f3\u58a8\u70ef\u3001MXene\u7b49\u5178\u578b\u4e8c\u7ef4\u6750\u6599\u6a21\u578b
\n 2.8 \u6784\u5efa\u77f3\u58a8\u70ef\u7b49\u4e8c\u7ef4\u7eb3\u7c73\u5e26\u6a21\u578b<\/p>\n

\u7b2c\u4e09\u8282 Windows\u5e73\u53f0\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\u5b9e\u8df5
\n 3.1 Windows\u5e73\u53f0\u5206\u5b50\u52a8\u529b\u5b66\u8ba1\u7b97\u6d41\u7a0b\u8be6\u89e3
\n 3.2 \u6784\u5efa\u5404\u79cd\u4f53\u7cfb\u6a21\u62df\u6a21\u578b(\u6df7\u5408\u6a21\u578b\u3001\u754c\u9762\u6a21\u578b\u7b49)
\n 3.3 \u6a21\u62df\u5b9e\u8df5\uff1a\u77f3\u58a8\u70ef\u4e8c\u7ef4\u7eb3\u7c73\u5b54\u6c34\u5206\u5b50\u900f\u8fc7\u79bb\u5b50\u8fc7\u6ee4\u6a21\u62df<\/p>\n

\u7b2c\u56db\u8282 Linux\u9ad8\u6027\u80fd\u8ba1\u7b97\u5165\u95e8+\u8f6f\u4ef6\u5b89\u88c5
\n 4.1 Linux\uff08CentOS\uff09\u7cfb\u7edf\u5b89\u88c5\uff08\u7269\u7406\u673a\u6216\u865a\u62df\u673a\uff09
\n 4.2 WinSCP, XShell\u8fdc\u7a0b\u8f6f\u4ef6\u5b89\u88c5\u914d\u7f6e\u8be6\u89e3
\n 4.3 Lammps\u7684Windows\u7248+Linux\u4e32\u884c\/\u5e76\u884c\u7248\u7f16\u8bd1\u5b89\u88c5\u5b9a\u5236Lammps\u683c\u5f0fNotepad++\u7f16\u8f91\u5668\uff08\u9ad8\u4eaeLammps\u6587\u4ef6\u5173\u952e\u8bcd\uff0c\u8ba9Lammps\u6587\u4ef6\u66f4\u6e05\u6670\u6613\u8bfb\uff09<\/p>\n

\u7b2c\u4e94\u8282 Lammps\u64cd\u4f5c\u57fa\u7840+\u547d\u4ee4\u8be6\u89e3
\n 5.1 Lammps\u8ba1\u7b97\u6240\u9700\u8f93\u5165\/\u8f93\u51fa\u6587\u4ef6\u6784\u5efa\u548c\u547d\u4ee4\u8be6\u89e3\uff08in\u6587\u4ef6\uff0cdata\u6587\u4ef6\uff0clammpstrj \u6587\u4ef6\u7ed3\u6784\u53ca\u683c\u5f0f\uff09
\n 5.2 Lammps\u8ba1\u7b97\u6d41\u7a0b\u63a7\u5236\uff08\u5982\u4f55\u81ea\u7531\u5730\u9ad8\u5ea6\u81ea\u5b9a\u4e49\u8ba1\u7b97\u6d41\u7a0b\u53ca\u65bd\u52a0\u5404\u79cd\u5916\u754c\u6761\u4ef6\uff09
\n 5.3 Lammps\u529b\u573a\u52bf\u51fd\u6570\u8be6\u89e3\u548c\u53c2\u6570\u8bf4\u660e\uff08\u5982\u4f55\u9488\u5bf9\u7279\u5b9a\u8ba1\u7b97\u4f53\u7cfb\u5206\u6790\uff0c\u51c6\u786e\u9009\u62e9\u529b\u573a\uff09<\/p>\n

\u7b2c\u516d\u8282 Lammps\u6a21\u62df\u7ed3\u679c\u540e\u5904\u7406\/\u6570\u636e\u5206\u6790\u65b9\u6cd5
\n 6.1 \u4f53\u7cfb\u80fd\u91cf\u6570\u636e\u5206\u6790\uff08\u539f\u5b50\u53d7\u529b\uff1b\u4f53\u7cfb\u603b\u80fd\u3001\u52a8\u80fd\u3001\u52bf\u80fd\u3001\u6e29\u5ea6\uff1b\u7279\u5b9a\u5c40\u90e8\u539f\u5b50group\u80fd\u91cf\u3001\u6e29\u5ea6\u7b49\uff09
\n 6.2 \u4f53\u7cfb\u52a8\u529b\u5b66\u7279\u6027\u5206\u6790\uff08\u5747\u65b9\u5dee\u4f4d\u79fb\uff08MSD\uff09\uff0c\u7ed3\u5408Origin\u8f6f\u4ef6\u8ba1\u7b97\u6269\u6563\u7cfb\u6570\u7b49\uff09
\n \u7ed3\u5408\u4f8b\u7a0b\u201c\u4e8c\u7ef4\u6750\u6599\u754c\u9762\u79bb\u5b50\u6269\u6563\/\u79bb\u5b50\u8fc7\u6ee4\u7814\u7a76\u201d
\n 6.3 \u4f53\u7cfb\u7ed3\u6784\u7279\u5f81\u6570\u636e\u5206\u6790\uff08\u7ed3\u5408VMD\u8f6f\u4ef6\uff0c\u8fdb\u884c\u539f\u5b50\u5bc6\u5ea6\u5206\u5e03\u5206\u6790\uff08Density profile\uff09\uff0c\u8ba1\u7b97\u5f84\u5411\u5206\u5e03\u51fd\u6570\uff08RDF\uff09\uff0c\u5b66\u4f1a\u4f7f\u7528VMD\u4e2dTcl\u8bed\u8a00\u6279\u91cf\u5904\u7406\u5206\u6790\u6570\u636e\uff09
\n 6.4 \u7535\u6781\/\u7535\u89e3\u8d28\u754c\u9762\u53cc\u7535\u5c42\u7ed3\u6784\uff0c\u7535\u573a\u5206\u5e03\uff0c\u7535\u52bf\u5206\u5e03\u5206\u6790\uff08\u7ed3\u5408Matlab\u8f6f\u4ef6\uff0c\u5b66\u4e60\u4f7f\u7528Matlab\u8f6f\u4ef6\u5f3a\u5927\u7684\u6570\u636e\u5904\u7406\u548c\u8ba1\u7b97\u529f\u80fd\uff0c\u5b66\u4f1a\u7528Matlab\u811a\u672c\u540e\u5904\u7406\/\u5206\u6790\u6570\u636e\uff09
\n 6.5 \u7535\u6781\/\u7535\u89e3\u8d28\u754c\u9762\u53cc\u7535\u5c42\u6bd4\u7535\u5bb9\u8ba1\u7b97\u65b9\u6cd5
\n \u7ed3\u5408\u4f8b\u7a0b\u201c\u4e8c\u7ef4\u6750\u6599\u754c\u9762\u53cc\u7535\u5c42\u7ed3\u6784\u53ca\u6bd4\u7535\u5bb9\u7279\u6027\u7814\u7a76\u201d
\n 6.6 \u4e8c\u7ef4\u6750\u6599\u6676\u683c\u70ed\u5bfc\u7387\u8ba1\u7b97
\n \u7ed3\u5408\u4f8b\u7a0b\u201c\u4e8c\u7ef4\u6750\u6599\u70ed\u5bfc\u7387\u8ba1\u7b97\u539f\u7406\u4e0e\u6a21\u62df\u8bbe\u8ba1\u201d
\n 6.7 \u4e8c\u7ef4\u6750\u6599\u8868\u9762\u6469\u64e6\u7279\u6027\u7814\u7a76
\n \u7ed3\u5408\u4f8b\u7a0b\u201c\u4e8c\u7ef4\u6750\u6599\u8868\u9762\u6469\u64e6\u6027\u8d28\u8ba1\u7b97\u539f\u7406\u4e0e\u6a21\u62df\u8bbe\u8ba1\u201d<\/p>\n

\u57f9\u8bad\u8bb2\u5e08<\/strong><\/p>\n

\u4f59\u8001\u5e08\uff0c\u56fd\u5185985\u9ad8\u6821\u535a\u58eb\u6bd5\u4e1a\uff0c\u73b0\u8bbf\u5b66\u4e8e\u6cd5\u56fd\u8457\u540d\u6750\u6599\u7814\u7a76\u7ec4\u3002\u4f59\u8001\u5e08\u66fe\u62c5\u4efb\u9762\u5411\u672c\u79d1\u751f\u7684\u5206\u5b50\u52a8\u529b\u5b66\u8bfe\u7a0b\u8bb2\u5e08\uff0c\u4ee5\u53ca\u672c\u79d1\u751f\u5c0f\u7ec4\u8bfe\u5916\u79d1\u7814\u5b9e\u8df5\u8f85\u5bfc\u6559\u5e08\uff0c\u81ea2017\u5e74\u8d77\u62c5\u4efb\u6750\u6599\u4eba\u6750\u6599\u8ba1\u7b97\u79d1\u6280\u987e\u95ee\uff0c\u5e76\u62c5\u4efb\u5206\u5b50\u52a8\u529b\u5b661\u5bf91\u57f9\u8bad\u8bb2\u5e08\u3002<\/p>\n

\u81ea2018\u5e745\u6708\u8d77\uff0c\u62c5\u4efb\u6750\u6599\u4eba\u5206\u5b50\u52a8\u529b\u5b66\u7ebf\u4e0a\u8bad\u7ec3\u8425\u8bb2\u5e08\u81f3\u4eca\uff0c\u5df2\u8f85\u5bfc\u8d85\u8fc7200\u4f4d\u5b66\u5458\u3002<\/p>\n

\n

\u62a5\u540d\u54a8\u8be2<\/strong><\/p>\n

\u8bf7\u6dfb\u52a0\u5ba2\u670d\u5fae\u4fe1maxw89\u3002<\/p>\n

\"\"<\/p>\n

 <\/p>\n

\u542c\u8bfe\u6307\u5357<\/b><\/strong><\/p>\n

\u5728\u539f\u6587\u94fe\u63a5\u6216\u5e94\u7528\u5b9d\uff08\u5404\u5927\u5e94\u7528\u5546\u5e97\u4e5f\u53ef\uff09\u4e0b\u8f7d\u6750\u6599\u4ebaAPP\uff0c\u5728APP\u5185\u641c\u7d22\u201c\u96f6\u57fa\u7840\u5206\u5b50\u52a8\u529b\u5b66\u5165\u95e8\u5b66\u4e60\u7cfb\u5217\u201d\uff0c\u5373\u53ef\u8fdb\u5165\u3002\uff08\u76ee\u524d\u6750\u6599\u4ebaAPP\u4ec5\u9002\u7528\u4e8e\u5b89\u5353\u7cfb\u7edf\uff0cIOS\u7248\u6b63\u5728\u5f00\u53d1\u4e2d\uff0c\u656c\u8bf7\u671f\u5f85\u2026\u2026\uff09<\/p>\n

\"\"<\/p>\n

\u6750\u6599\u4ebaAPP\u5e94\u7528\u5b9d\u4e0b\u8f7d\u5730\u5740<\/p>\n

\u8bfe\u7a0b\u552e\u4ef7<\/b><\/strong><\/p>\n

1199\u5143<\/p>\n

\u53d1\u7968\u5f00\u5177<\/b><\/strong><\/p>\n

\u8bf7\u5728\u201c\u6211\u7684\u201d\u2014\u2014\u201c\u4f59\u989d\u7ba1\u7406\u201d\u2014\u2014\u201c\u7533\u8bf7\u5f00\u7968\u201d\u4e2d\u7533\u8bf7<\/p>\n

\uff08\u9ed8\u8ba4\u5f00\u5177\u7535\u5b50\u53d1\u7968\uff0c\u7eb8\u8d28\u53d1\u7968\u9700\u81ea\u5df1\u627f\u62c5\u90ae\u8d39\uff09<\/p>\n

\u9000\u8d27\u8bf4\u660e<\/b><\/strong><\/p>\n

\u56e0\u865a\u62df\u4ea7\u54c1\u7279\u6b8a\u6027\uff0c\u8bfe\u7a0b\u4e00\u7ecf\u8d2d\u4e70\u4e0d\u63d0\u4f9b\u9000\u8bfe\u670d\u52a1\uff0c\u8bf7\u8c28\u614e\u8d2d\u4e70\u3002<\/p>\n<\/div>\n","protected":false},"excerpt":{"rendered":"

1\u67085\u65e56\u65e5\uff0c\u6750\u6599\u4eba\u4e3e\u529e\u4e86\u4e8c\u7ef4\u6750\u6599\u5206\u5b50\u52a8\u529b\u5b66\u7ebf\u4e0b\u57f9\u8bad\uff0c\u5e76\u5f55\u5236\u4e86\u89c6\u9891\u3002\u73b0\u5728\uff0c\u89c6\u9891\u5df2\u7ecf\u526a\u8f91\u5b8c\u6bd5\u5728\u6750\u6599\u4ebaAPP\u4e0a\u4e0a\u7ebf\u3002 \u57f9\u8bad\u8bfe\u8868 \u7b2c\u4e00\u8282 \u5206\u5b50\u52a8\u529b\u5b66\u57fa\u7840\u7406\u8bba 1.1 …<\/p>\n","protected":false},"author":2,"featured_media":160403,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[45],"tags":[],"class_list":["post-160329","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-huodong"],"_links":{"self":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/160329"}],"collection":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=160329"}],"version-history":[{"count":30,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/160329\/revisions"}],"predecessor-version":[{"id":167067,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/160329\/revisions\/167067"}],"wp:featuredmedia":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/media\/160403"}],"wp:attachment":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=160329"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=160329"},{"taxonomy":"post_tag","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=160329"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}