{"id":761,"date":"2018-10-26T04:30:16","date_gmt":"2018-10-26T09:30:16","guid":{"rendered":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/?p=761"},"modified":"2019-10-19T19:56:42","modified_gmt":"2019-10-20T00:56:42","slug":"charged-interfaces-electrochemical-and-mechanical-effects","status":"publish","type":"post","link":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2018\/10\/26\/charged-interfaces-electrochemical-and-mechanical-effects\/","title":{"rendered":"V. Karra, W. Chueh, R.E. Garc\u00eda. \u201cCharged Interfaces: Electrochemical and Mechanical Effects.\u201d Energy & Environmental Science. 11:1993-2000, 2018."},"content":{"rendered":"

V. Karra, W. Chueh, R.E. Garc\u00eda. \u201cCharged Interfaces: Electrochemical and Mechanical Effects<\/em>.\u201d\u00a0Energy & Environmental Science.<\/strong> \u00a0DOI: 10.1039\/C7EE03400H<\/a>. 11:1993-2000, 2018.<\/p>\n

Abstract<\/h3>\n

We establish a comprehensive space-charge treatment that includes electrochemomechanical effects to physically describe the equilibrium and transport properties of charged interfaces in ion-conducting solids. The theory is consistent with the laws of thermodynamics and Maxwell\u2019s Equations and naturally includes the free energy contributions of the chemical, electrical, and mechanical fields at and in the vicinity of homo- and heterointerfaces. In the dilute limit, and in the absence of chemomechanical stresses, the theory reduces to the classic, well-established Gouy-Chapman description. In the strong substitution limit, the model naturally predicts the appearance of a Mott-Schottky-type layer and reproduces the well known experimentally observed behavior, including grain boundary solute segregation. We demonstrate the validity of this theory for polycrystalline GdyCe1\u2212yO2\u2212y\/2, GCO. In the low substitution limit, electrochemical and chemomechanically-induced stresses favor the segregation of [Gd\u2032Ce] which locally expands the crystalline lattice, and thus promotes the formation of a wide depletion zone of oxygen vacancies in front of the interface, negatively impacting the macro- scopic ionic conductivity. For high gadolinia substitution, interface segregation induces compressive stresses of 45 to 700MPa and a weakly tensile region in the vicinity of the GCO homointerface, as a result of coupled, long range, electrochemomechanical interactions. The accumulation of gadolinium defects at the grain boundary locks-in oxygen vacancies, which in turn suppresses the depletion zone from the extended immediate neighborhood and decreases its macroscopic ionic conductivity. This is the first model where the grain boundary core explicitly includes chemo- mechanical effects.<\/p>\n","protected":false},"excerpt":{"rendered":"

V. Karra, W. Chueh, R.E. Garc\u00eda. \u201cCharged Interfaces: Electrochemical and Mechanical Effects.\u201d\u00a0Energy…<\/p>\n

Continue reading “V. Karra, W. Chueh, R.E. Garc\u00eda. \u201cCharged Interfaces: Electrochemical and Mechanical Effects.\u201d Energy & Environmental Science. 11:1993-2000, 2018.”<\/span>…<\/a><\/div>\n
Continue reading \"V. Karra, W. Chueh, R.E. Garc\u00eda. \u201cCharged Interfaces: Electrochemical and Mechanical Effects.\u201d Energy & Environmental Science. 11:1993-2000, 2018.\"<\/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":[9,76,6,75,10,48,15],"jetpack_publicize_connections":[],"jetpack_featured_media_url":"","jetpack_sharing_enabled":true,"jetpack_shortlink":"https:\/\/wp.me\/peeeSR-ch","jetpack_likes_enabled":true,"jetpack-related-posts":[{"id":806,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2019\/02\/20\/k-s-n-vikrant1-and-r-edwin-garcia-charged-grain-boundary-transitions-in-ionic-ceramics-for-energy-applications-npj-computational-materials-2019524-https-doi-org-10-1038-s41524-019-0159\/","url_meta":{"origin":761,"position":0},"title":"K. S. N. Vikrant and R. Edwin Garc\u00eda “Charged grain boundary transitions in ionic ceramics for energy applications.” npj Computational Materials (2019)5:24","date":"02\/20\/2019","format":false,"excerpt":"K. S. N. Vikrant and R. Edwin Garc\u00eda \"Charged grain boundary transitions in ionic ceramics for energy applications.\" npj Computational Materials (2019)5:24; https:\/\/doi.org\/10.1038\/s41524-019-0159-2. abstract Surfaces and interfaces in ionic ceramics play a pivotal role in defining the transport limitations in many of the existing and emerging applications in energy-related systems\u2026","rel":"","context":"In "Papers"","img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":877,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2020\/12\/10\/j-lund-k-s-n-vikrant-c-m-bishop-w-rheinheimer-r-e-garcia-thermodynamically-consistent-variational-principles-for-charged-interfaces-acta-materialia-205116525-2021\/","url_meta":{"origin":761,"position":1},"title":"J. Lund, K. S. N. Vikrant, C. M. Bishop, W. Rheinheimer, R. E. Garc\u00eda “Thermodynamically Consistent Variational Principles for Charged Interfaces.” Acta Materialia, 205:116525, (2021).","date":"12\/10\/2020","format":false,"excerpt":"J. Lund, K. S. N. Vikrant, C. M. Bishop, W. Rheinheimer, R. E. Garc\u00eda \"Thermodynamically Consistent Variational Principles for Charged Interfaces.\" Acta Materialia, 205:116525, (2021).\u00a0https:\/\/doi.org\/10.1016\/j.actamat.2020.116525 Abstract A generalized framework that naturally incorporates the free energy contributions of thermochemical, structural, mechanical, and electrical fields is presented to describe the Space Charge\u2026","rel":"","context":"In "Papers"","img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":837,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2019\/11\/15\/a-jana-s-i-woo-k-s-n-vikrant-and-r-e-garcia-electrochemomechanics-of-lithium-dendrite-growth-energy-environmental-science-2019\/","url_meta":{"origin":761,"position":2},"title":"A. Jana, S.-I. Woo, K.S.N. Vikrant, and R.E. Garc\u00eda \u00a0“Electrochemomechanics of lithium dendrite growth.”\u00a0Energy & Environmental Science, 12:3595-3607, 2019","date":"11\/15\/2019","format":false,"excerpt":"A. Jana, S.-I. Woo, K.S.N. Vikrant, and R.E. Garc\u00eda \u00a0\"Electrochemomechanics of lithium dendrite growth.\"\u00a0Energy Environ. Sci., 12:\u00a03595-3607, 2019.\u00a0https:\/\/doi.org\/10.1039\/C9EE01864F abstract A comprehensive roadmap describing the current density- and size-dependent dendrite growth mechanisms is presented. Based on a thermodynamically consistent theory, the combined effects of chemical diffusion, electrodeposition, and elastic and plastic\u2026","rel":"","context":"In "Papers"","img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":873,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2020\/10\/31\/ksn-vikrant-w-rheinheimer-re-garcia-electrochemical-drag-effect-on-grain-boundary-motion-in-ionic-ceramics-npj-computational-materials-6165-2020\/","url_meta":{"origin":761,"position":3},"title":"KSN Vikrant, W Rheinheimer, RE Garc\u00eda “Electrochemical drag effect on grain boundary motion in ionic ceramics.” npj Computational Materials. 6:165, (2020).","date":"10\/31\/2020","format":false,"excerpt":"KSN Vikrant, W Rheinheimer, RE Garc\u00eda \"Electrochemical drag effect on grain boundary motion in ionic ceramics.\" npj Computational Materials. 6:165, (2020). \u00a0https:\/\/doi.org\/10.1038\/s41524-020-00418-z Abstract The effects of drag imposed by extrinsic ionic species and point defects on the grain boundary motion of ionic polycrystalline ceramics were quantified for the generality of\u2026","rel":"","context":"In "Papers"","img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":879,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2021\/01\/21\/k-s-n-vikrant-x-l-phuah-j-lund-han-wang-c-s-hellberg-n-bernstein-w-rheinheimer-c-m-bishop-h-wang-and-r-e-garcia-modeling-of-flash-sintering-of-ionic-ceramics-mrs-bulletin-janua\/","url_meta":{"origin":761,"position":4},"title":"K.S.N. Vikrant, X.L. Phuah, J. Lund, Han Wang, C.S. Hellberg, N. Bernstein, W. Rheinheimer, C.M. Bishop, H. Wang, and R.E. Garc\u00eda “Modeling of flash sintering of ionic ceramics.” MRS Bulletin, 46(1):67-75, 2021.","date":"01\/21\/2021","format":false,"excerpt":"K.S.N. Vikrant, X.L. Phuah, J. Lund, Han Wang, C.S. Hellberg, N. Bernstein, W. Rheinheimer, C.M. Bishop, H. Wang, and R.E. Garc\u00eda \"Modeling of flash sintering of ionic ceramics.\" MRS Bulletin, 46(1):67-75, 2021.\u00a0doi:10.1557\/s43577-020-00012-0 abstract A fundamental understanding of the influence of defects in ionic ceramics at the atomic, microstructural, and macroscopic\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":761,"position":5},"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":[]}],"_links":{"self":[{"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/posts\/761"}],"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=761"}],"version-history":[{"count":3,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/posts\/761\/revisions"}],"predecessor-version":[{"id":780,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/posts\/761\/revisions\/780"}],"wp:attachment":[{"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/media?parent=761"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/categories?post=761"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/tags?post=761"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}