{"id":781,"date":"2018-10-26T15:44:50","date_gmt":"2018-10-26T20:44:50","guid":{"rendered":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/?p=781"},"modified":"2018-11-18T07:45:14","modified_gmt":"2018-11-18T12:45:14","slug":"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","status":"publish","type":"post","link":"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\/","title":{"rendered":"OA Torres-Matheus, RE Garc\u00eda, CM Bishop. \u201cPhase Coexistence Near the Morphotropic Phase Boundary.\u201d Acta Materialia. 164:577-585, 2019."},"content":{"rendered":"

OA Torres-Matheus, RE Garc\u00eda, CM Bishop. \u201cPhase \u00a0Coexistence Near the Morphotropic Phase Boundary.<\/em>\u201d Acta Materialia<\/strong>. 164:577-585, 2019.\u00a0https:\/\/doi.org\/10.1016\/j.actamat.2018.10.041<\/a><\/p>\n

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Abstract<\/h3>\n

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 predicts metastable coexistence of the rhombohedral (R) and tetragonal (T) phases near the PPB temperature, TPPB = 43 \u25e6C, for the BZT-40BCT system, and provides a maximum temperature of coexistence, TC,0 = 49.9 \u25e6C, in agreement with experiments. For T > TPPB , results show that metastable coexistence of two ferroelectric phases is a result of a phase transformation-induced polarization rotation plus switching mechanism. Metastable domains of the low-temperature R phase coexist with the high-temperature, thermodynamically stable T phase for long periods of time, from minutes to hours. For T < TPPB , the coexistence time is on the order of tens of seconds due to a decreased thermal energy that suppresses the polarization rotation plus switching mechanism. Further, the kinetics of macroscopic T\u2192R phase transformation is accelerated by a large thermodynamic driving force and high mobility.<\/p>\n<\/div>\n<\/div>\n<\/div>\n","protected":false},"excerpt":{"rendered":"

OA Torres-Matheus, RE Garc\u00eda, CM Bishop. \u201cPhase \u00a0Coexistence Near the Morphotropic Phase…<\/p>\n

Continue reading “OA Torres-Matheus, RE Garc\u00eda, CM Bishop. \u201cPhase Coexistence Near the Morphotropic Phase Boundary.\u201d Acta Materialia. 164:577-585, 2019.”<\/span>…<\/a><\/div>\n
Continue reading \"OA Torres-Matheus, RE Garc\u00eda, CM Bishop. \u201cPhase Coexistence Near the Morphotropic Phase Boundary.\u201d Acta Materialia. 164:577-585, 2019.\"<\/span>…<\/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_publicize_message":"","jetpack_is_tweetstorm":false,"jetpack_publicize_feature_enabled":true},"categories":[45],"tags":[11,22,48,15,7],"jetpack_publicize_connections":[],"jetpack_featured_media_url":"","jetpack_sharing_enabled":true,"jetpack_shortlink":"https:\/\/wp.me\/peeeSR-cB","jetpack_likes_enabled":true,"jetpack-related-posts":[{"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":781,"position":0},"title":"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.","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 "Papers"","img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":901,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2021\/08\/07\/o-a-torres-matheus-r-e-garcia-and-c-m-bishop-physics-based-optimization-of-landau-parameters-for-ferroelectrics-application-to-bzt-50bct-modelling-and-simulation-in-materials-science-and\/","url_meta":{"origin":781,"position":1},"title":"O. A. Torres-Matheus, R.E. Garc\u00eda, and C. M. Bishop “Physics-based optimization of Landau parameters for ferroelectrics: application to BZT-50BCT.” Modelling and Simulation in Materials Science and Engineering. 29 075001, 2021.","date":"08\/07\/2021","format":false,"excerpt":"O. A. Torres-Matheus, R.E. Garc\u00eda and C. M. Bishop \"Physics-based optimization of Landau parameters for ferroelectrics: application to BZT-50BCT.\" Modelling and Simulation in Materials Science and Engineering. 29, 075001,. 2021. https:\/\/doi.org\/10.1088\/1361-651X\/ac1a60 Abstract In analogy to thermochemical parameter optimization in the CALculation of PHAse Diagrams (CALPHAD) approach that relies on a\u2026","rel":"","context":"In "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":781,"position":2},"title":"KSN Vikrant, RL Grosso, RE Garc\u00eda, K Hattar, SJ Dillon et al. “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.","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 "Papers"","img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":315,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2017\/10\/29\/effect-of-charge-separation-on-the-stability-of-large-wavelength-fluctuations-during-spinodal-decomposition\/","url_meta":{"origin":781,"position":3},"title":"CM Bishop, RE Garc\u00eda, WC Carter “Effect of charge separation on the stability of large wavelength fluctuations during spinodal decomposition” \u00a0Acta materialia, 51(6): 1517-1524, 2003.","date":"10\/29\/2017","format":false,"excerpt":"CM Bishop, RE Garc\u00eda, WC Carter \"Effect of charge separation on the stability of large wavelength fluctuations during spinodal decomposition\" \u00a0Acta materialia, 51(6): 1517-1524, 2003. Abstract A stability analysis of phase separation of charged species by spinodal decomposition is presented. The charge effects introduce a short wave number cutoff for\u2026","rel":"","context":"In "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":781,"position":4},"title":"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.","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 "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":781,"position":5},"title":"RL Grosso, KSN Vikrant, RE Garc\u00eda, K Hattar, SJ Dillon, et al. “Ultrahigh Temperature in situ Transmission Electron Microscopy based Bicrystal Coble Creep in Zirconia II: Interfacial Thermodynamics and Transport Mechanisms.” Acta Materialia, 200:1008-1021, 2020.","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 "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\/781"}],"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=781"}],"version-history":[{"count":10,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/posts\/781\/revisions"}],"predecessor-version":[{"id":804,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/posts\/781\/revisions\/804"}],"wp:attachment":[{"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/media?parent=781"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/categories?post=781"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/tags?post=781"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}