{"id":169,"date":"2017-10-19T23:00:25","date_gmt":"2017-10-19T23:00:25","guid":{"rendered":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/?page_id=169"},"modified":"2017-11-08T16:21:05","modified_gmt":"2017-11-08T16:21:05","slug":"microstructure-evolution","status":"publish","type":"page","link":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/microstructure-evolution\/","title":{"rendered":"Microstructure Evolution"},"content":{"rendered":"<h3>Introduction<\/h3>\n<p>At the core of manufacturing science is the development of improved processing operations that result on better material properties, reliability, and performance. Fundamentally, this corresponds to first develop a deep understanding to then engineer the microstructural evolution of the fabricated part or device, <i>i.e.<\/i>, the impact of the controlling processing parameters on the time-dependent morphological changes of the individual phases. The focus of this thread of research is on the development of practical analytical and numerical descriptions that will allow to realistically establish design criteria that will accelerate the development of materials and devices of optimal properties. Here, we are currently developing theories, advanced software and visualization techniques that will accelerate such process and will make the analysis of a processing operation an intuitive step on the development of new science and even intellectual property. Simulation techniques such as kinetic Monte Carlo, phase field modeling, and level set methods are adapted, generalized, and integrated to each other in an effort to have a realistic description of the complexity associated to real processing operations.Physical and Chemical Vapor Deposition, Annealing and Sintering, and Electrodeposition are example applications of systems that are being analyzed.<\/p>\n<div class=\"wm-posts wm-posts-wrap clearfix wm-posts-wm_projects wm-posts-layout-default\"><div class=\"wm-filter\"><ul><li class=\"wm-filter-items-all active\"><a href=\"#\" data-filter=\"*\">All<\/a><\/li><li class=\"wm-filter-items-batteries\"><a href=\"#\" data-filter=\".project_tag-batteries\">batteries<span class=\"count\"> (10)<\/span><\/a><\/li><li class=\"wm-filter-items-electrochemistry\"><a href=\"#\" data-filter=\".project_tag-electrochemistry\">electrochemistry<span class=\"count\"> (8)<\/span><\/a><\/li><li class=\"wm-filter-items-ferroelectrics\"><a href=\"#\" data-filter=\".project_tag-ferroelectrics\">ferroelectrics<span class=\"count\"> (5)<\/span><\/a><\/li><li class=\"wm-filter-items-gibbs\"><a href=\"#\" data-filter=\".project_tag-gibbs\">Gibbs<span class=\"count\"> (2)<\/span><\/a><\/li><li class=\"wm-filter-items-grain-boundaries\"><a href=\"#\" data-filter=\".project_tag-grain-boundaries\">grain boundaries<span class=\"count\"> (8)<\/span><\/a><\/li><li class=\"wm-filter-items-grain-growth\"><a href=\"#\" data-filter=\".project_tag-grain-growth\">grain growth<span class=\"count\"> (1)<\/span><\/a><\/li><li class=\"wm-filter-items-leds\"><a href=\"#\" data-filter=\".project_tag-leds\">LEDs<span class=\"count\"> (1)<\/span><\/a><\/li><li class=\"wm-filter-items-lithium-dendrites\"><a href=\"#\" data-filter=\".project_tag-lithium-dendrites\">lithium dendrites<span class=\"count\"> (1)<\/span><\/a><\/li><li class=\"wm-filter-items-microstructures\"><a href=\"#\" data-filter=\".project_tag-microstructures\">microstructures<span class=\"count\"> (15)<\/span><\/a><\/li><li class=\"wm-filter-items-phase-diagrams\"><a href=\"#\" data-filter=\".project_tag-phase-diagrams\">phase diagrams<span class=\"count\"> (4)<\/span><\/a><\/li><li class=\"wm-filter-items-phase-field\"><a href=\"#\" data-filter=\".project_tag-phase-field\">phase field<span class=\"count\"> (5)<\/span><\/a><\/li><li class=\"wm-filter-items-piezoelectrics\"><a href=\"#\" data-filter=\".project_tag-piezoelectrics\">piezoelectrics<span class=\"count\"> (1)<\/span><\/a><\/li><li class=\"wm-filter-items-porous-ceramics\"><a href=\"#\" data-filter=\".project_tag-porous-ceramics\">porous ceramics<span class=\"count\"> (1)<\/span><\/a><\/li><li class=\"wm-filter-items-powders\"><a href=\"#\" data-filter=\".project_tag-powders\">powders<span class=\"count\"> (1)<\/span><\/a><\/li><li class=\"wm-filter-items-properties\"><a href=\"#\" data-filter=\".project_tag-properties\">properties<span class=\"count\"> (10)<\/span><\/a><\/li><li class=\"wm-filter-items-sofcs\"><a href=\"#\" data-filter=\".project_tag-sofcs\">SOFCs<span class=\"count\"> (1)<\/span><\/a><\/li><li class=\"wm-filter-items-solar-cells\"><a href=\"#\" data-filter=\".project_tag-solar-cells\">solar cells<span class=\"count\"> (1)<\/span><\/a><\/li><li class=\"wm-filter-items-symbolic-kinetics\"><a href=\"#\" data-filter=\".project_tag-symbolic-kinetics\">symbolic kinetics<span class=\"count\"> (2)<\/span><\/a><\/li><li class=\"wm-filter-items-symbolic-thermodynamics\"><a href=\"#\" data-filter=\".project_tag-symbolic-thermodynamics\">symbolic thermodynamics<span class=\"count\"> (3)<\/span><\/a><\/li><li class=\"wm-filter-items-thermoelectrics\"><a href=\"#\" data-filter=\".project_tag-thermoelectrics\">thermoelectrics<span class=\"count\"> (1)<\/span><\/a><\/li><li class=\"wm-filter-items-thin-films\"><a href=\"#\" data-filter=\".project_tag-thin-films\">thin films<span class=\"count\"> (6)<\/span><\/a><\/li><li class=\"wm-filter-items-tortuosity\"><a href=\"#\" data-filter=\".project_tag-tortuosity\">tortuosity<span class=\"count\"> (4)<\/span><\/a><\/li><\/ul><\/div><div class=\"wm-posts-container wm-items-container with-margin filter-this\" data-columns=\"3\" data-time=\"0\" data-layout-mode=\"masonry\" itemscope itemtype=\"http:\/\/schema.org\/ItemList\">\r\n<article class=\"wm-posts-item wm-posts-item-712 wm-column width-1-3 with-margin project_tag-batteries project_tag-electrochemistry project_tag-lithium-dendrites project_tag-phase-field has-thumbnail\" itemscope itemtype=\"http:\/\/schema.org\/CreativeWork\">\r\n\r\n\t\t\t<div class=\"wm-posts-element wm-html-element image image-container\" itemprop=\"image\">\r\n\t\t\t<a href=\"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/project\/lithium-dendrite-growth-thermodynamics-and-kinetics\/\" itemprop=\"url\"><img width=\"1000\" height=\"333\" src=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2018\/03\/electricField.jpg?fit=1000%2C333&amp;ssl=1\" class=\"attachment-full size-full wp-post-image\" alt=\"\" loading=\"lazy\" title=\"electric field distribution during Li dendrite growth\" srcset=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2018\/03\/electricField.jpg?w=1000&amp;ssl=1 1000w, https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2018\/03\/electricField.jpg?resize=657%2C219&amp;ssl=1 657w, https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2018\/03\/electricField.jpg?resize=768%2C256&amp;ssl=1 768w\" sizes=\"(max-width: 1000px) 100vw, 1000px\" data-attachment-id=\"741\" data-permalink=\"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/project\/lithium-dendrite-growth-thermodynamics-and-kinetics\/electricfield-2\/\" data-orig-file=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2018\/03\/electricField.jpg?fit=1000%2C333&amp;ssl=1\" data-orig-size=\"1000,333\" data-comments-opened=\"1\" data-image-meta=\"{&quot;aperture&quot;:&quot;0&quot;,&quot;credit&quot;:&quot;&quot;,&quot;camera&quot;:&quot;&quot;,&quot;caption&quot;:&quot;&quot;,&quot;created_timestamp&quot;:&quot;0&quot;,&quot;copyright&quot;:&quot;&quot;,&quot;focal_length&quot;:&quot;0&quot;,&quot;iso&quot;:&quot;0&quot;,&quot;shutter_speed&quot;:&quot;0&quot;,&quot;title&quot;:&quot;&quot;,&quot;orientation&quot;:&quot;0&quot;}\" data-image-title=\"electric field distribution during Li dendrite growth\" data-image-description=\"\" data-image-caption=\"\" data-medium-file=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2018\/03\/electricField.jpg?fit=657%2C219&amp;ssl=1\" data-large-file=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2018\/03\/electricField.jpg?fit=1000%2C333&amp;ssl=1\" \/><\/a>\t\t<\/div>\r\n\t\r\n\t<a href=\"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/project\/lithium-dendrite-growth-thermodynamics-and-kinetics\/\" itemprop=\"url\" class=\"wm-posts-elements-container\">\r\n\r\n\t\t<div class=\"wm-posts-element wm-html-element title\">\r\n\t\t\t<h2 itemprop=\"name\">\r\n\r\n\t\t\t\tLithium Dendrite Growth Thermodynamics and Kinetics\r\n\t\t\t<\/h2>\r\n\t\t<\/div>\r\n\r\n\t\t<div class=\"wm-posts-element wm-html-element taxonomy\"><span class=\"term term-batteries\" itemprop=\"keywords\">Batteries<\/span>, <span class=\"term term-kinetics\" itemprop=\"keywords\">Kinetics<\/span>, <span class=\"term term-nanostructures\" itemprop=\"keywords\">Nanostructures<\/span>, <span class=\"term term-research\" itemprop=\"keywords\">Research<\/span><\/div>\r\n\t\t\r\n\t<\/a>\r\n\r\n<\/article>\r\n\r\n<article class=\"wm-posts-item wm-posts-item-710 wm-column width-1-3 with-margin alt project_tag-phase-diagrams project_tag-phase-field project_tag-properties project_tag-symbolic-thermodynamics\" itemscope itemtype=\"http:\/\/schema.org\/CreativeWork\">\r\n\r\n\t\r\n\t<a href=\"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/project\/calphad-based-phase-field-models\/\" itemprop=\"url\" class=\"wm-posts-elements-container\">\r\n\r\n\t\t<div class=\"wm-posts-element wm-html-element title\">\r\n\t\t\t<h2 itemprop=\"name\">\r\n\r\n\t\t\t\tCalphad-based Phase Field Models\r\n\t\t\t<\/h2>\r\n\t\t<\/div>\r\n\r\n\t\t<div class=\"wm-posts-element wm-html-element taxonomy\"><span class=\"term term-kinetics\" itemprop=\"keywords\">Kinetics<\/span>, <span class=\"term term-research\" itemprop=\"keywords\">Research<\/span>, <span class=\"term term-software\" itemprop=\"keywords\">Software<\/span><\/div>\r\n\t\t\r\n\t<\/a>\r\n\r\n<\/article>\r\n\r\n<article class=\"wm-posts-item wm-posts-item-709 wm-column width-1-3 with-margin project_tag-grain-boundaries project_tag-microstructures project_tag-phase-field project_tag-properties project_tag-thin-films\" itemscope itemtype=\"http:\/\/schema.org\/CreativeWork\">\r\n\r\n\t\r\n\t<a href=\"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/project\/properties-of-heterointerfaces-in-ceramic-ceramic-and-metal-ceramic-solids\/\" itemprop=\"url\" class=\"wm-posts-elements-container\">\r\n\r\n\t\t<div class=\"wm-posts-element wm-html-element title\">\r\n\t\t\t<h2 itemprop=\"name\">\r\n\r\n\t\t\t\tProperties of Heterointerfaces in Ceramic-Ceramic and Metal-Ceramic Solids\r\n\t\t\t<\/h2>\r\n\t\t<\/div>\r\n\r\n\t\t<div class=\"wm-posts-element wm-html-element taxonomy\"><span class=\"term term-kinetics\" itemprop=\"keywords\">Kinetics<\/span>, <span class=\"term term-nanostructures\" itemprop=\"keywords\">Nanostructures<\/span>, <span class=\"term term-research\" itemprop=\"keywords\">Research<\/span><\/div>\r\n\t\t\r\n\t<\/a>\r\n\r\n<\/article>\r\n\r\n<article class=\"wm-posts-item wm-posts-item-249 wm-column width-1-3 with-margin alt project_tag-grain-boundaries project_tag-grain-growth project_tag-microstructures project_tag-solar-cells project_tag-thin-films has-thumbnail\" itemscope itemtype=\"http:\/\/schema.org\/CreativeWork\">\r\n\r\n\t\t\t<div class=\"wm-posts-element wm-html-element image image-container\" itemprop=\"image\">\r\n\t\t\t<a href=\"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/project\/pvd-growth-of-solar-cells\/\" itemprop=\"url\"><img width=\"1720\" height=\"1338\" src=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/cropped-PastedGraphic-8.jpg?fit=1720%2C1338&amp;ssl=1\" class=\"attachment-full size-full wp-post-image\" alt=\"\" loading=\"lazy\" title=\"Phase Separating Thin Film\" srcset=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/cropped-PastedGraphic-8.jpg?w=1720&amp;ssl=1 1720w, https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/cropped-PastedGraphic-8.jpg?resize=657%2C511&amp;ssl=1 657w, https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/cropped-PastedGraphic-8.jpg?resize=768%2C597&amp;ssl=1 768w, https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/cropped-PastedGraphic-8.jpg?resize=1060%2C825&amp;ssl=1 1060w\" sizes=\"(max-width: 1060px) 100vw, 1060px\" data-attachment-id=\"92\" data-permalink=\"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/cropped-pastedgraphic-8-jpg\/\" data-orig-file=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/cropped-PastedGraphic-8.jpg?fit=1720%2C1338&amp;ssl=1\" data-orig-size=\"1720,1338\" data-comments-opened=\"1\" data-image-meta=\"{&quot;aperture&quot;:&quot;0&quot;,&quot;credit&quot;:&quot;&quot;,&quot;camera&quot;:&quot;&quot;,&quot;caption&quot;:&quot;&quot;,&quot;created_timestamp&quot;:&quot;0&quot;,&quot;copyright&quot;:&quot;&quot;,&quot;focal_length&quot;:&quot;0&quot;,&quot;iso&quot;:&quot;0&quot;,&quot;shutter_speed&quot;:&quot;0&quot;,&quot;title&quot;:&quot;&quot;,&quot;orientation&quot;:&quot;0&quot;}\" data-image-title=\"Phase Separating Thin Film\" data-image-description=\"\" data-image-caption=\"\" data-medium-file=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/cropped-PastedGraphic-8.jpg?fit=657%2C511&amp;ssl=1\" data-large-file=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/cropped-PastedGraphic-8.jpg?fit=1060%2C825&amp;ssl=1\" \/><\/a>\t\t<\/div>\r\n\t\r\n\t<a href=\"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/project\/pvd-growth-of-solar-cells\/\" itemprop=\"url\" class=\"wm-posts-elements-container\">\r\n\r\n\t\t<div class=\"wm-posts-element wm-html-element title\">\r\n\t\t\t<h2 itemprop=\"name\">\r\n\r\n\t\t\t\tPVD Growth of Solar Cells\r\n\t\t\t<\/h2>\r\n\t\t<\/div>\r\n\r\n\t\t<div class=\"wm-posts-element wm-html-element taxonomy\"><span class=\"term term-kinetics\" itemprop=\"keywords\">Kinetics<\/span>, <span class=\"term term-nanostructures\" itemprop=\"keywords\">Nanostructures<\/span>, <span class=\"term term-research\" itemprop=\"keywords\">Research<\/span><\/div>\r\n\t\t\r\n\t<\/a>\r\n\r\n<\/article>\r\n\r\n<article class=\"wm-posts-item wm-posts-item-746 wm-column width-1-3 with-margin project_tag-ferroelectrics project_tag-phase-diagrams project_tag-phase-field has-thumbnail\" itemscope itemtype=\"http:\/\/schema.org\/CreativeWork\">\r\n\r\n\t\t\t<div class=\"wm-posts-element wm-html-element image image-container\" itemprop=\"image\">\r\n\t\t\t<a href=\"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/project\/kinetically-stabilized-metastable-polarization-states-in-ferroelectrics\/\" itemprop=\"url\"><img width=\"1648\" height=\"1651\" src=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2018\/03\/NBThysteresisLoop.jpg?fit=1648%2C1651&amp;ssl=1\" class=\"attachment-full size-full wp-post-image\" alt=\"\" loading=\"lazy\" title=\"Experimental vs Simulated Hysteresis Loop Comparison for NBT\" srcset=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2018\/03\/NBThysteresisLoop.jpg?w=1648&amp;ssl=1 1648w, https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2018\/03\/NBThysteresisLoop.jpg?resize=657%2C658&amp;ssl=1 657w, https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2018\/03\/NBThysteresisLoop.jpg?resize=768%2C769&amp;ssl=1 768w, https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2018\/03\/NBThysteresisLoop.jpg?resize=1060%2C1062&amp;ssl=1 1060w, https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2018\/03\/NBThysteresisLoop.jpg?resize=420%2C420&amp;ssl=1 420w\" sizes=\"(max-width: 1060px) 100vw, 1060px\" data-attachment-id=\"747\" data-permalink=\"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/project\/kinetically-stabilized-metastable-polarization-states-in-ferroelectrics\/nbthysteresisloop\/\" data-orig-file=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2018\/03\/NBThysteresisLoop.jpg?fit=1648%2C1651&amp;ssl=1\" data-orig-size=\"1648,1651\" data-comments-opened=\"1\" data-image-meta=\"{&quot;aperture&quot;:&quot;0&quot;,&quot;credit&quot;:&quot;&quot;,&quot;camera&quot;:&quot;&quot;,&quot;caption&quot;:&quot;&quot;,&quot;created_timestamp&quot;:&quot;0&quot;,&quot;copyright&quot;:&quot;&quot;,&quot;focal_length&quot;:&quot;0&quot;,&quot;iso&quot;:&quot;0&quot;,&quot;shutter_speed&quot;:&quot;0&quot;,&quot;title&quot;:&quot;&quot;,&quot;orientation&quot;:&quot;0&quot;}\" data-image-title=\"Experimental vs Simulated Hysteresis Loop Comparison for NBT\" data-image-description=\"\" data-image-caption=\"\" data-medium-file=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2018\/03\/NBThysteresisLoop.jpg?fit=657%2C658&amp;ssl=1\" data-large-file=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2018\/03\/NBThysteresisLoop.jpg?fit=1060%2C1062&amp;ssl=1\" \/><\/a>\t\t<\/div>\r\n\t\r\n\t<a href=\"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/project\/kinetically-stabilized-metastable-polarization-states-in-ferroelectrics\/\" itemprop=\"url\" class=\"wm-posts-elements-container\">\r\n\r\n\t\t<div class=\"wm-posts-element wm-html-element title\">\r\n\t\t\t<h2 itemprop=\"name\">\r\n\r\n\t\t\t\tKinetically stabilized metastable polarization states in ferroelectrics\r\n\t\t\t<\/h2>\r\n\t\t<\/div>\r\n\r\n\t\t<div class=\"wm-posts-element wm-html-element taxonomy\"><span class=\"term term-ferroelectrics\" itemprop=\"keywords\">Ferroelectrics<\/span>, <span class=\"term term-kinetics\" itemprop=\"keywords\">Kinetics<\/span>, <span class=\"term term-research\" itemprop=\"keywords\">Research<\/span><\/div>\r\n\t\t\r\n\t<\/a>\r\n\r\n<\/article>\r\n\r\n<article class=\"wm-posts-item wm-posts-item-248 wm-column width-1-3 with-margin alt project_tag-electrochemistry project_tag-ferroelectrics project_tag-gibbs project_tag-phase-diagrams project_tag-properties project_tag-symbolic-kinetics project_tag-symbolic-thermodynamics has-thumbnail\" itemscope itemtype=\"http:\/\/schema.org\/CreativeWork\">\r\n\r\n\t\t\t<div class=\"wm-posts-element wm-html-element image image-container\" itemprop=\"image\">\r\n\t\t\t<a href=\"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/project\/open-source-symbolic-thermodynamics-and-kinetics-of-materials\/\" itemprop=\"url\"><img width=\"600\" height=\"920\" src=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/gibbsExample.jpg?fit=600%2C920&amp;ssl=1\" class=\"attachment-full size-full wp-post-image\" alt=\"\" loading=\"lazy\" title=\"gibbs software example simulation script\" data-attachment-id=\"221\" data-permalink=\"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/gibbsexample\/\" data-orig-file=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/gibbsExample.jpg?fit=600%2C920&amp;ssl=1\" data-orig-size=\"600,920\" data-comments-opened=\"1\" data-image-meta=\"{&quot;aperture&quot;:&quot;0&quot;,&quot;credit&quot;:&quot;&quot;,&quot;camera&quot;:&quot;&quot;,&quot;caption&quot;:&quot;&quot;,&quot;created_timestamp&quot;:&quot;0&quot;,&quot;copyright&quot;:&quot;&quot;,&quot;focal_length&quot;:&quot;0&quot;,&quot;iso&quot;:&quot;0&quot;,&quot;shutter_speed&quot;:&quot;0&quot;,&quot;title&quot;:&quot;&quot;,&quot;orientation&quot;:&quot;0&quot;}\" data-image-title=\"gibbs software example simulation script\" data-image-description=\"\" data-image-caption=\"\" data-medium-file=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/gibbsExample.jpg?fit=600%2C920&amp;ssl=1\" data-large-file=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/gibbsExample.jpg?fit=600%2C920&amp;ssl=1\" \/><\/a>\t\t<\/div>\r\n\t\r\n\t<a href=\"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/project\/open-source-symbolic-thermodynamics-and-kinetics-of-materials\/\" itemprop=\"url\" class=\"wm-posts-elements-container\">\r\n\r\n\t\t<div class=\"wm-posts-element wm-html-element title\">\r\n\t\t\t<h2 itemprop=\"name\">\r\n\r\n\t\t\t\tOpen Source Symbolic Thermodynamics and Kinetics of Materials\r\n\t\t\t<\/h2>\r\n\t\t<\/div>\r\n\r\n\t\t<div class=\"wm-posts-element wm-html-element taxonomy\"><span class=\"term term-batteries\" itemprop=\"keywords\">Batteries<\/span>, <span class=\"term term-ferroelectrics\" itemprop=\"keywords\">Ferroelectrics<\/span>, <span class=\"term term-kinetics\" itemprop=\"keywords\">Kinetics<\/span>, <span class=\"term term-research\" itemprop=\"keywords\">Research<\/span>, <span class=\"term term-software\" itemprop=\"keywords\">Software<\/span><\/div>\r\n\t\t\r\n\t<\/a>\r\n\r\n<\/article>\r\n<\/div><\/div>\n","protected":false},"excerpt":{"rendered":"<p class=\"post-excerpt\" class=\"post-excerpt\">A general purpose open source, Python-based framework, Gibbs, was developed to perform\u00a0multiphysical&hellip;<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"advanced_seo_description":""},"jetpack_sharing_enabled":true,"jetpack_shortlink":"https:\/\/wp.me\/PeeeSR-2J","jetpack_likes_enabled":true,"jetpack-related-posts":[{"id":33,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/","url_meta":{"origin":169,"position":0},"title":"Laboratory of Computational Microstructures","date":"10\/10\/2017","format":false,"excerpt":"\u00a0 Introduction Our research group focuses on the design of materials and devices through the development of a fundamental\u00a0understanding of the solid state physics of the individual phases, their short and long range interactions, and its associated microstructural evolution. The aim is to provide guidelines that will lead to experiments\u2026","rel":"","context":"Similar post","img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":164,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/rechargeable-batteries\/","url_meta":{"origin":169,"position":1},"title":"Rechargeable Batteries","date":"10\/19\/2017","format":false,"excerpt":"Introduction Modern rechargeable batteries are complex ensembles of particles of electrochemically active material with high charge capacity utilization achieved through the development of optimized chemistries and particle architectures (see Figure on the left).\u00a0The research performed by the group led by Prof. Edwin Garc\u00eda focuses on the development of thermodynamic and\u2026","rel":"","context":"Similar post","img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":159,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/ferroelectrics\/","url_meta":{"origin":169,"position":2},"title":"Ferroelectrics","date":"10\/19\/2017","format":false,"excerpt":"Introduction The development of analytical theories and numerical models that capture with realism the time evolution of polarization domains in polycrystalline lead-containing and lead-free ferroelectric materials is being pursued. Specifically, thermodynamic variational principles are being built based on Landau-like free energy formulations and by introducing the adequate kinetic laws to\u2026","rel":"","context":"Similar post","img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":26,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/main\/people\/","url_meta":{"origin":169,"position":3},"title":"People","date":"10\/10\/2017","format":false,"excerpt":"Current Current Graduate Students Lucas Robinson Jarrod Lund Surya Mitra Danny Hermawan Current Visiting Scholars and Postdoctoral Researchers K. S. N. Vikrant \"Electric Field Assisted Sintering of Ionic Ceramics.\" August 2019- Alfredo Sanjuan ''Modeling and Design of Charged Particle Dynamics.\" November 2018- Faculty R. Edwin Garc\u00eda (home page) Alumni Graduate\u2026","rel":"","context":"Similar post","img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]}],"_links":{"self":[{"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/pages\/169"}],"collection":[{"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/comments?post=169"}],"version-history":[{"count":8,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/pages\/169\/revisions"}],"predecessor-version":[{"id":583,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/pages\/169\/revisions\/583"}],"wp:attachment":[{"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/media?parent=169"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}