{"id":33,"date":"2017-10-10T18:49:41","date_gmt":"2017-10-10T18:49:41","guid":{"rendered":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/?page_id=33"},"modified":"2019-11-15T20:14:02","modified_gmt":"2019-11-16T01:14:02","slug":"main","status":"publish","type":"page","link":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/","title":{"rendered":"Laboratory of Computational Microstructures"},"content":{"rendered":"<p>&nbsp;<\/p>\n<h3>Introduction<\/h3>\n<p>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 and processing operations with improved properties, performance, and reliability. \u00a0We integrate computational approaches ranging from kinetic Monte Carlo, phase field and level set methods, to finite elements, finite volumes, and symbolic computing. Home-grown\u00a0analytical\u00a0theories and algorithms are constantly developed to resolve the relevant time and length scales.\u00a0Of importance to our research are microstructure design, crystallographic texture, and grain boundary science and engineering, aimed to control the topology of the underlying phases and thus establish practical relations between processing, microstructure, and material properties.\u00a0Fundamental areas of research include the prediction of equilibrium and kinetic properties in ferroelectric ceramics (in thin-film and bulk form, for both lead-containing and lead-free systems), electrochemical properties and interactions between charged point defects and grain boundaries, granular mixing and dynamics of dry and wet systems, and the generalities of microstructural evolution.<\/p>\n","protected":false},"excerpt":{"rendered":"<p class=\"post-excerpt\" class=\"post-excerpt\">&nbsp; Introduction Our research group focuses on the design of materials and&hellip;<\/p>\n<div class=\"link-more\"><a href=\"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/\">Continue reading<span class=\"screen-reader-text\"> &#8220;Laboratory of Computational Microstructures&#8221;<\/span>&hellip;<\/a><\/div>\n<div class=\"link-more\"><a href=\"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/\">Continue reading<span class=\"screen-reader-text\"> \"Laboratory of Computational Microstructures\"<\/span>&hellip;<\/a><\/div>","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-x","jetpack_likes_enabled":true,"jetpack-related-posts":[{"id":19,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/main\/research\/","url_meta":{"origin":33,"position":0},"title":"Research","date":"10\/10\/2017","format":false,"excerpt":"","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":33,"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":169,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/microstructure-evolution\/","url_meta":{"origin":33,"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":72,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/main\/recent\/","url_meta":{"origin":33,"position":3},"title":"Recent","date":"10\/12\/2017","format":false,"excerpt":"","rel":"","context":"Similar post","img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":754,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/main\/recent\/nanostructures\/","url_meta":{"origin":33,"position":4},"title":"Nanostructures","date":"03\/12\/2018","format":false,"excerpt":"","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":33,"position":5},"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":[]}],"_links":{"self":[{"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/pages\/33"}],"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=33"}],"version-history":[{"count":22,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/pages\/33\/revisions"}],"predecessor-version":[{"id":662,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/pages\/33\/revisions\/662"}],"wp:attachment":[{"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/media?parent=33"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}