{"id":1004,"date":"2026-08-01T07:57:26","date_gmt":"2026-08-01T12:57:26","guid":{"rendered":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/?p=1004"},"modified":"2026-08-01T07:58:00","modified_gmt":"2026-08-01T12:58:00","slug":"cm-bishop-ksn-vikrant-re-garcia-ferroelectric-grain-boundary-complexion-transitions-acta-materialia-293-121043-2025","status":"publish","type":"post","link":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2026\/08\/01\/cm-bishop-ksn-vikrant-re-garcia-ferroelectric-grain-boundary-complexion-transitions-acta-materialia-293-121043-2025\/","title":{"rendered":"CM Bishop, KSN Vikrant, RE Garc\u00eda &#8220;Ferroelectric grain boundary complexion transitions.&#8221; Acta Materialia 293: 121043, 2025."},"content":{"rendered":"\n<p class=\"wp-block-paragraph\">CM Bishop, KSN Vikrant, RE Garc\u00eda &#8220;<em>Ferroelectric grain boundary complexion transitions.<\/em>&#8221; <strong>Acta Materialia<\/strong> 293: 121043, 2025. <a href=\"https:\/\/doi.org\/10.1016\/j.actamat.2025.121043\">https:\/\/doi.org\/10.1016\/j.actamat.2025.121043<\/a><\/p>\n\n\n\n<h2 class=\"wp-block-heading\">Abstract<\/h2>\n\n\n\n<p class=\"wp-block-paragraph\">By starting from equilibrium volumetric and\u00a0<a href=\"https:\/\/www.sciencedirect.com\/topics\/physics-and-astronomy\/interface-property\">interfacial properties<\/a>\u00a0of\u00a0<a href=\"https:\/\/www.sciencedirect.com\/topics\/earth-and-planetary-sciences\/ferroelectric-material\">ferroelectric materials<\/a>, a thermodynamically-consistent phase field framework incorporating polarization and\u00a0<a href=\"https:\/\/www.sciencedirect.com\/topics\/earth-and-planetary-sciences\/space-charge\">space charge<\/a>\u00a0for\u00a0<a href=\"https:\/\/www.sciencedirect.com\/topics\/physics-and-astronomy\/polycrystalline\">polycrystalline<\/a>\u00a0ferroelectrics is developed. Building on Cahn\u2019s\u00a0<a href=\"https:\/\/www.sciencedirect.com\/topics\/engineering\/critical-point\">critical point<\/a>\u00a0wetting variational analysis, a series of planar\u00a0[001]\u00a0tilt\u00a0<a href=\"https:\/\/www.sciencedirect.com\/topics\/food-science\/cereal\">grain<\/a> boundaries in tetragonal ferroelectrics in the absence of\u00a0<a href=\"https:\/\/www.sciencedirect.com\/topics\/earth-and-planetary-sciences\/point-defect\">point defects<\/a>\u00a0are investigated. We find that grain boundaries with (i) head-to-tail-like polarization configurations have built in E-fields and undergo order\u2013disorder transformations with decreasing temperature or increasing misorientation and those with (ii) head-to-head-like polarization configurations are paraelectric with no E-field and become more structurally disordered with decreasing temperature or increasing misorientation. Results suggest that ordered and disordered grain boundary complexions can coexist in first order ferroelectrics at all temperatures below the\u00a0<a href=\"https:\/\/www.sciencedirect.com\/topics\/earth-and-planetary-sciences\/curie-temperature\">Curie temperature<\/a>,\u00a0<em>T<sub>c<\/sub><\/em>.  In contrast, in second order ferroelectrics, results suggest that only one complexion will be observed at temperatures just below\u00a0<em>T<sub>c<\/sub><\/em> and that on further cooling below a critical temperature, a second disordered complexion will develop for some grain boundaries, leading to abrupt changes in material properties.<\/p>\n\n\n\n<p class=\"wp-block-paragraph\"><\/p>\n","protected":false},"excerpt":{"rendered":"<p class=\"post-excerpt\" class=\"post-excerpt\">CM Bishop, KSN Vikrant, RE Garc\u00eda &#8220;Ferroelectric grain boundary complexion transitions.&#8221; Acta&hellip;<\/p>\n<div class=\"link-more\"><a href=\"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2026\/08\/01\/cm-bishop-ksn-vikrant-re-garcia-ferroelectric-grain-boundary-complexion-transitions-acta-materialia-293-121043-2025\/\">Continue reading<span class=\"screen-reader-text\"> &#8220;CM Bishop, KSN Vikrant, RE Garc\u00eda &#8220;Ferroelectric grain boundary complexion transitions.&#8221; Acta Materialia 293: 121043, 2025.&#8221;<\/span>&hellip;<\/a><\/div>\n<div class=\"link-more\"><a href=\"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2026\/08\/01\/cm-bishop-ksn-vikrant-re-garcia-ferroelectric-grain-boundary-complexion-transitions-acta-materialia-293-121043-2025\/\">Continue reading<span class=\"screen-reader-text\"> \"CM Bishop, KSN Vikrant, RE Garc\u00eda &#8220;Ferroelectric grain boundary complexion transitions.&#8221; Acta Materialia 293: 121043, 2025.\"<\/span>&hellip;<\/a><\/div>","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"advanced_seo_description":"","jetpack_seo_html_title":"","jetpack_seo_noindex":false,"jetpack_seo_schema_type":"","_jetpack_newsletter_access":"","_jetpack_dont_email_post_to_subs":false,"_jetpack_newsletter_tier_id":0,"_jetpack_memberships_contains_paywalled_content":false,"_jetpack_memberships_contains_paid_content":false,"footnotes":""},"categories":[45],"tags":[86,11,10,48,15],"class_list":["post-1004","post","type-post","status-publish","format-standard","hentry","category-papers","tag-complexions","tag-ferroelectrics","tag-grain-boundaries","tag-phase-field","tag-properties","entry"],"jetpack_featured_media_url":"","jetpack_sharing_enabled":true,"jetpack_shortlink":"https:\/\/wp.me\/peeeSR-gc","jetpack_likes_enabled":true,"jetpack-related-posts":[{"id":781,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2018\/10\/26\/oat-matheus-re-garcia-cm-bishop-phase-field-theory-and-coexistence-of-ferroelectric-phases-near-the-morphotropic-phase-boundary-acta-materialia-in-press-oct-2018\/","url_meta":{"origin":1004,"position":0},"title":"OA Torres-Matheus, RE Garc\u00eda, CM Bishop. \u201cPhase Coexistence Near the Morphotropic Phase Boundary.\u201d Acta Materialia. 164:577-585, 2019.","author":"redwing","date":"10\/26\/2018","format":false,"excerpt":"OA Torres-Matheus, RE Garc\u00eda, CM Bishop. \u201cPhase \u00a0Coexistence Near the Morphotropic Phase Boundary.\u201d Acta Materialia. 164:577-585, 2019.\u00a0https:\/\/doi.org\/10.1016\/j.actamat.2018.10.041 Abstract A novel multiphase field theory for ferroelectric systems in the vicinity of a polymorphic phase boundary (PPB) is developed by coupling the Landau-Devonshire thermodynamic potentials of the individual phases. The model naturally\u2026","rel":"","context":"In &quot;Papers&quot;","block_context":{"text":"Papers","link":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/category\/papers\/"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":851,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2020\/09\/27\/ksn-vikrant-w-rheinheimer-h-sternlicht-m-baurer-re-garcia-electrochemically-driven-abnormal-grain-growth-in-ionic-ceramics-acta-materialia-200-720-734-2020\/","url_meta":{"origin":1004,"position":1},"title":"KSN Vikrant, W Rheinheimer, H Sternlicht, M B\u00e4urer, RE Garc\u00eda &#8220;Electrochemically-driven abnormal grain growth in ionic ceramics.&#8221;  Acta Materialia 200: 720-734, 2020.","author":"redwing","date":"09\/27\/2020","format":false,"excerpt":"KSN Vikrant, W Rheinheimer, H Sternlicht, M B\u00e4urer, RE Garc\u00eda \"Electrochemically-driven abnormal grain growth in ionic ceramics.\" Acta Materialia 200: 720-734, 2020. \u00a0https:\/\/doi.org\/10.1016\/j.actamat.2020.08.027 \u00a0 Abstract A combined theoretical and experimental analysis was performed to understand the effects of extrinsic ionic species and point defects on the microstructural evolution of ionic\u2026","rel":"","context":"In &quot;Papers&quot;","block_context":{"text":"Papers","link":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/category\/papers\/"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":849,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2020\/09\/27\/ksn-vikrant-rl-grosso-re-garcia-k-hattar-sj-dillon-et-al-ultrahigh-temperature-in-situ-transmission-electron-microscopy-based-bicrystal-coble-creep-in-zirconia-i-nanowire-growth-and-interfaci\/","url_meta":{"origin":1004,"position":2},"title":"KSN Vikrant, RL Grosso, RE Garc\u00eda, K Hattar, SJ Dillon et al.  &#8220;Ultrahigh Temperature in situ Transmission Electron Microscopy based Bicrystal Coble Creep in Zirconia I: Nanowire Growth and Interfacial Diffusivity.&#8221; Acta Materialia 199:530-541,  2020.","author":"redwing","date":"09\/27\/2020","format":false,"excerpt":"KSN Vikrant, RL Grosso, L. Feng, ENS Muccillo, DNF Muche, GS Jawaharram, CM Barr, AM Monterrosa, RHR Castro, RE Garc\u00eda, K Hattar, SJ Dillon\u00a0 \"Ultrahigh Temperature in situ Transmission Electron Microscopy based Bicrystal Coble Creep in Zirconia I: Nanowire Growth and Interfacial Diffusivity.\" Acta Materialia 199:530-541, 2020.\u00a0https:\/\/doi.org\/10.1016\/j.actamat.2020.08.069 Abstract This work\u2026","rel":"","context":"In &quot;Papers&quot;","block_context":{"text":"Papers","link":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/category\/papers\/"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":854,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2020\/10\/01\/rl-grosso-ksn-vikrant-l-feng-ens-muccillo-dnf-muche-gs-jawaharram-cm-barr-am-monterrosa-rhr-castro-re-garcia-k-hattar-sj-dillon-ultrahigh-temperature-in-situ-transmission-electron-microsco\/","url_meta":{"origin":1004,"position":3},"title":"RL Grosso, KSN Vikrant,  RE Garc\u00eda, K Hattar, SJ Dillon, et al. &#8220;Ultrahigh Temperature in situ Transmission Electron Microscopy based Bicrystal Coble Creep in Zirconia II: Interfacial Thermodynamics and Transport Mechanisms.&#8221;  Acta Materialia, 200:1008-1021, 2020.","author":"redwing","date":"10\/01\/2020","format":false,"excerpt":"RL Grosso KSN Vikrant, L Feng, ENS Muccillo, DNF Muche, GS Jawaharram, CM Barr, AM Monterrosa, RHR Castro, RE Garc\u00eda, K Hattar, SJ Dillon \"Ultrahigh Temperature in situ Transmission Electron Microscopy based Bicrystal Coble Creep in Zirconia II: Interfacial Thermodynamics and Transport Mechanisms.\"\u00a0Acta Materialia, 200:1008-1021, 2020.\u00a0https:\/\/doi.org\/10.1016\/j.actamat.2020.08.070 Abstract This work uses\u2026","rel":"","context":"In &quot;Papers&quot;","block_context":{"text":"Papers","link":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/category\/papers\/"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":385,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2017\/10\/31\/collective-dynamics-in-nanostructured-polycrystalline-ferroelectric-thin-films-using-local-time-resolved-measurements-and-switching-spectroscopy\/","url_meta":{"origin":1004,"position":4},"title":"S Wicks, K Seal, S Jesse, V Anbusathaiah, S Leach, RE Garc\u00eda, S V Kalinin, V Nagarajan &#8220;Collective dynamics in nanostructured polycrystalline ferroelectric thin films using local time-resolved measurements and switching spectroscopy.&#8221; \u00a0Acta Materialia. 58(1):67-75, 2010.","author":"redwing","date":"10\/31\/2017","format":false,"excerpt":"S Wicks, K Seal, S Jesse, V Anbusathaiah, S Leach, RE Garc\u00eda, S V Kalinin, V Nagarajan \"Collective dynamics in nanostructured polycrystalline ferroelectric thin films using local time-resolved measurements and switching spectroscopy.\" \u00a0Acta Materialia. 58(1):67-75, 2010. Abstract Grain-to-grain long-range interactions and the ensuing collective dynamics in the domain behavior of\u2026","rel":"","context":"In &quot;Papers&quot;","block_context":{"text":"Papers","link":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/category\/papers\/"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":884,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2021\/01\/13\/o-a-torres-matheus-r-e-garcia-and-c-m-bishop-microstructural-phase-coexistence-kinetics-near-the-polymorphic-phase-boundary-acta-materialia-p-116579-2020\/","url_meta":{"origin":1004,"position":5},"title":"O. A. Torres-Matheus, R. E. Garc\u00eda, and C. M. Bishop &#8220;Microstructural phase coexistence kinetics near the polymorphic phase boundary.&#8221; Acta Materialia, vol. 206, p. 116579, 2021.","author":"redwing","date":"01\/13\/2021","format":false,"excerpt":"O. A. Torres-Matheus, R. E. Garc\u00eda, and C. M. Bishop \"Microstructural phase coexistence kinetics near the polymorphic phase boundary.\" Acta Materialia, vol. 206, p. 116579, 2021.\u00a0https:\/\/doi.org\/10.1016\/j.actamat.2020.116579 Abstract By implementing a novel multiphase field model for ferroelectric systems, the phase coexistence of the tetragonal (T) and rhombohedral (R) phases in Pb-free\u2026","rel":"","context":"In &quot;Papers&quot;","block_context":{"text":"Papers","link":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/category\/papers\/"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]}],"_links":{"self":[{"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/posts\/1004","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/types\/post"}],"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=1004"}],"version-history":[{"count":2,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/posts\/1004\/revisions"}],"predecessor-version":[{"id":1006,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/posts\/1004\/revisions\/1006"}],"wp:attachment":[{"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/media?parent=1004"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/categories?post=1004"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/tags?post=1004"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}