{"id":159,"date":"2017-10-19T22:40:48","date_gmt":"2017-10-19T22:40:48","guid":{"rendered":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/?page_id=159"},"modified":"2017-10-29T00:30:04","modified_gmt":"2017-10-29T00:30:04","slug":"ferroelectrics","status":"publish","type":"page","link":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/ferroelectrics\/","title":{"rendered":"Ferroelectrics"},"content":{"rendered":"<h3>Introduction<\/h3>\n<p>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 describe the switching dynamics for materials in thin film and bulk form. The focus lies on integrating simulation and experiments to provide research and development tools to the scientific community (e.g., oof and oof2). Here, we determine the effect of texture of ferroelectric, ferroelastic, and piezoelectric materials to drive the simulation work. The models are being validated directly through coordinated experiments to test their predictions, leading to the development of material microstructures, textures and compositions that enhance its macroscopic \u00a0performance and reliability. Undergraduate, graduate and postdoctoral researchers have established a thriving research community that extends to collaborations overseas and to open source applications that can be readily accessed.<\/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=\"4\" data-time=\"0\" data-layout-mode=\"masonry\" itemscope itemtype=\"http:\/\/schema.org\/ItemList\">\r\n<article class=\"wm-posts-item wm-posts-item-233 wm-column width-1-4 with-margin 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\/ferroelectric-thin-films\/\" itemprop=\"url\"><img width=\"476\" height=\"509\" src=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/ferroelectricThinFilmExample-e1509112602610.jpg?fit=476%2C509&amp;ssl=1\" class=\"attachment-large size-large wp-post-image\" alt=\"\" loading=\"lazy\" title=\"hysteresis loop response for ferroelectric thin film\" data-attachment-id=\"196\" data-permalink=\"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/ferroelectricthinfilmexample\/\" data-orig-file=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/ferroelectricThinFilmExample-e1509112602610.jpg?fit=476%2C509&amp;ssl=1\" data-orig-size=\"476,509\" 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=\"hysteresis loop response for ferroelectric thin film\" data-image-description=\"\" data-image-caption=\"\" data-medium-file=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/ferroelectricThinFilmExample-e1509112602610.jpg?fit=476%2C509&amp;ssl=1\" data-large-file=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/ferroelectricThinFilmExample-e1509112602610.jpg?fit=476%2C509&amp;ssl=1\" \/><\/a>\t\t<\/div>\r\n\t\r\n\t<a href=\"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/project\/ferroelectric-thin-films\/\" 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\tFerroelectric Thin Films\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-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-231 wm-column width-1-4 with-margin alt project_tag-ferroelectrics project_tag-grain-boundaries 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\/switching-dynamics-in-polycrystalline-ferroelectrics\/\" itemprop=\"url\"><img width=\"1060\" height=\"534\" src=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/switchingMechanismsExample.jpg?fit=1060%2C534&amp;ssl=1\" class=\"attachment-large size-large wp-post-image\" alt=\"\" loading=\"lazy\" title=\"polarization switching mechanisms in PZT\" srcset=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/switchingMechanismsExample.jpg?w=1270&amp;ssl=1 1270w, https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/switchingMechanismsExample.jpg?resize=657%2C331&amp;ssl=1 657w, https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/switchingMechanismsExample.jpg?resize=768%2C387&amp;ssl=1 768w, https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/switchingMechanismsExample.jpg?resize=1060%2C534&amp;ssl=1 1060w\" sizes=\"(max-width: 1060px) 100vw, 1060px\" data-attachment-id=\"175\" data-permalink=\"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/switchingmechanismsexample\/\" data-orig-file=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/switchingMechanismsExample.jpg?fit=1270%2C640&amp;ssl=1\" data-orig-size=\"1270,640\" 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=\"polarization switching mechanisms in PZT\" data-image-description=\"\" data-image-caption=\"\" data-medium-file=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/switchingMechanismsExample.jpg?fit=657%2C331&amp;ssl=1\" data-large-file=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/switchingMechanismsExample.jpg?fit=1060%2C534&amp;ssl=1\" \/><\/a>\t\t<\/div>\r\n\t\r\n\t<a href=\"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/project\/switching-dynamics-in-polycrystalline-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\tSwitching Dynamics in Polycrystalline 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-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-1-4 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=\"1060\" height=\"1062\" src=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2018\/03\/NBThysteresisLoop.jpg?fit=1060%2C1062&amp;ssl=1\" class=\"attachment-large size-large 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-232 wm-column width-1-4 with-margin alt project_tag-ferroelectrics project_tag-microstructures project_tag-properties 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\/equilibrium-properties-in-polycrystalline-ferroelectrics\/\" itemprop=\"url\"><img width=\"274\" height=\"269\" src=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/PastedGraphic-4.png?fit=274%2C269&amp;ssl=1\" class=\"attachment-large size-large wp-post-image\" alt=\"\" loading=\"lazy\" title=\"3D Piezoelectric Microstructure\" data-attachment-id=\"141\" data-permalink=\"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/pastedgraphic-4\/\" data-orig-file=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/PastedGraphic-4.png?fit=274%2C269&amp;ssl=1\" data-orig-size=\"274,269\" 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=\"3D Piezoelectric Microstructure\" data-image-description=\"\" data-image-caption=\"\" data-medium-file=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/PastedGraphic-4.png?fit=274%2C269&amp;ssl=1\" data-large-file=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2017\/10\/PastedGraphic-4.png?fit=274%2C269&amp;ssl=1\" \/><\/a>\t\t<\/div>\r\n\t\r\n\t<a href=\"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/project\/equilibrium-properties-in-polycrystalline-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\tEquilibrium Properties in Polycrystalline 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-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-732 wm-column width-1-4 with-margin project_tag-leds project_tag-microstructures project_tag-piezoelectrics 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\/electric-field-free-nanostructures\/\" itemprop=\"url\"><img width=\"1024\" height=\"1024\" src=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2018\/03\/elect_cake_1.jpg?fit=1024%2C1024&amp;ssl=1\" class=\"attachment-large size-large wp-post-image\" alt=\"\" loading=\"lazy\" title=\"built-in E-fields in InGaN LED nanostructure\" srcset=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2018\/03\/elect_cake_1.jpg?w=1024&amp;ssl=1 1024w, https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2018\/03\/elect_cake_1.jpg?resize=657%2C657&amp;ssl=1 657w, https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2018\/03\/elect_cake_1.jpg?resize=768%2C768&amp;ssl=1 768w, https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2018\/03\/elect_cake_1.jpg?resize=420%2C420&amp;ssl=1 420w\" sizes=\"(max-width: 1024px) 100vw, 1024px\" data-attachment-id=\"734\" data-permalink=\"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/project\/electric-field-free-nanostructures\/elect_cake_1\/\" data-orig-file=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2018\/03\/elect_cake_1.jpg?fit=1024%2C1024&amp;ssl=1\" data-orig-size=\"1024,1024\" 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=\"built-in E-fields in InGaN LED nanostructure\" data-image-description=\"\" data-image-caption=\"\" data-medium-file=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2018\/03\/elect_cake_1.jpg?fit=657%2C657&amp;ssl=1\" data-large-file=\"https:\/\/i0.wp.com\/engineering.purdue.edu\/ComputationalMaterials\/wp-content\/uploads\/2018\/03\/elect_cake_1.jpg?fit=1024%2C1024&amp;ssl=1\" \/><\/a>\t\t<\/div>\r\n\t\r\n\t<a href=\"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/project\/electric-field-free-nanostructures\/\" 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\tElectric-Field Free Nanostructures\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-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-248 wm-column width-1-4 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-large size-large 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-2z","jetpack_likes_enabled":true,"jetpack-related-posts":[{"id":33,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/","url_meta":{"origin":159,"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":26,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/main\/people\/","url_meta":{"origin":159,"position":1},"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":[]},{"id":169,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/microstructure-evolution\/","url_meta":{"origin":159,"position":2},"title":"Microstructure Evolution","date":"10\/19\/2017","format":false,"excerpt":"Introduction 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.e., the impact of the controlling\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":159,"position":3},"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":19,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/main\/research\/","url_meta":{"origin":159,"position":4},"title":"Research","date":"10\/10\/2017","format":false,"excerpt":"","rel":"","context":"Similar post","img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":72,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/main\/recent\/","url_meta":{"origin":159,"position":5},"title":"Recent","date":"10\/12\/2017","format":false,"excerpt":"","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\/159"}],"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=159"}],"version-history":[{"count":21,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/pages\/159\/revisions"}],"predecessor-version":[{"id":309,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/pages\/159\/revisions\/309"}],"wp:attachment":[{"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/media?parent=159"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}