{"id":539,"date":"2024-12-01T14:31:41","date_gmt":"2024-12-01T06:31:41","guid":{"rendered":"https:\/\/my-matlab.com\/?p=539"},"modified":"2024-12-01T14:44:46","modified_gmt":"2024-12-01T06:44:46","slug":"lammps%e5%9c%a8%e8%bd%a8%e8%bf%b9%e4%b8%ad%e8%be%93%e5%87%ba%e5%8e%9f%e5%ad%90%e6%b8%a9%e5%ba%a6","status":"publish","type":"post","link":"https:\/\/my-matlab.com\/index.php\/2024\/12\/01\/lammps%e5%9c%a8%e8%bd%a8%e8%bf%b9%e4%b8%ad%e8%be%93%e5%87%ba%e5%8e%9f%e5%ad%90%e6%b8%a9%e5%ba%a6\/","title":{"rendered":"lammps\u5728\u8f68\u8ff9\u4e2d\u8f93\u51fa\u539f\u5b50\u6027\u8d28\uff08\u6e29\u5ea6\uff0c\u5e94\u529b\uff09"},"content":{"rendered":"<h2>lammps\u5728\u8f68\u8ff9\u4e2d\uff0c\u4e0d\u540c\u5355\u4f4d\u4e0b\u5728\u8f68\u8ff9\u4e2d\u8f93\u51fa\u539f\u5b50\u6e29\u5ea6<\/h2>\n<div>\n<h3>\u30fb\u6e29\u5ea6<\/h3>\n<p><strong>metal\u5355\u4f4d\u65f6<\/strong>\n<\/div>\n<pre class=\"prettyprint linenums\">\r\ncompute KE all ke\/atom\r\nvariable KB equal 8.625e-5\r\nvariable TEMP atom c_KE\/v_KB\r\nfix properties all ave\/atom 50 60 3000 v_TEMP\r\ndump 1 all custom 3000 dump.lammpstrj id type x y z f_properties[1]\r\n<\/pre>\n<div>\n<strong>real\u5355\u4f4d\u65f6<\/strong>\n<\/div>\n<pre class=\"prettyprint linenums\">\r\ncompute KE all ke\/atom\r\nvariable KB equal 1.9872041e-3\r\nvariable TEMP atom c_KE\/v_KB\r\nfix properties all ave\/atom 50 60 3000 v_TEMP\r\ndump 1 all custom 3000 dump.lammpstrj id type x y z f_properties[1]\r\n<\/pre>\n<h3>\u5e94\u529b<\/h3>\n<pre class=\"prettyprint linenums\">\r\n\r\ncompute str all stress\/atom NULL\r\ncompute p all voronoi\/atom\r\nvariable stressx atom c_str[1]\/10000\r\nvariable stressy atom c_str[2]\/10000\r\nvariable stressz atom c_str[3]\/10000\r\nvariable stressxy atom c_str[4]\/10000\r\nvariable stressyz atom c_str[5]\/10000\r\nvariable stressxz atom c_str[6]\/10000\r\n\r\nvariable stressHY atom -(v_stressx\/c_p[1]+v_stressy\/c_p[1]+v_stressz\/c_p[1])\/3\r\nvariable stressVon atom sqrt((v_stressx\/c_p[1]-v_stressy\/c_p[1])^2+(v_stressy\/c_p[1]-v_stressz\/c_p[1])^2+(v_stressz\/c_p[1]-v_stressx\/c_p[1])^2+6*((v_stressxy\/c_p[1])^2+(v_stressyz\/c_p[1])^2+(v_stressxz\/c_p[1])^2))\/sqrt(2)\r\nfix properties all ave\/atom 50 60 3000 v_stressHY v_stressVon\r\n\r\ndump            1 all custom 3000 dump.lammpstrj id type x y z f_properties[1] f_properties[2]\r\n<\/pre>\n","protected":false},"excerpt":{"rendered":"<p>lammps\u5728\u8f68\u8ff9\u4e2d\uff0c\u4e0d\u540c\u5355\u4f4d\u4e0b\u5728\u8f68\u8ff9\u4e2d\u8f93\u51fa\u539f\u5b50\u6e29\u5ea6 \u30fb\u6e29\u5ea6 metal\u5355\u4f4d\u65f6 compute KE all  [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[9],"tags":[13],"class_list":["post-539","post","type-post","status-publish","format-standard","hentry","category-lammps","tag-lammps"],"_links":{"self":[{"href":"https:\/\/my-matlab.com\/index.php\/wp-json\/wp\/v2\/posts\/539","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/my-matlab.com\/index.php\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/my-matlab.com\/index.php\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/my-matlab.com\/index.php\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/my-matlab.com\/index.php\/wp-json\/wp\/v2\/comments?post=539"}],"version-history":[{"count":12,"href":"https:\/\/my-matlab.com\/index.php\/wp-json\/wp\/v2\/posts\/539\/revisions"}],"predecessor-version":[{"id":551,"href":"https:\/\/my-matlab.com\/index.php\/wp-json\/wp\/v2\/posts\/539\/revisions\/551"}],"wp:attachment":[{"href":"https:\/\/my-matlab.com\/index.php\/wp-json\/wp\/v2\/media?parent=539"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/my-matlab.com\/index.php\/wp-json\/wp\/v2\/categories?post=539"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/my-matlab.com\/index.php\/wp-json\/wp\/v2\/tags?post=539"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}