{"id":921,"date":"2022-06-08T05:54:05","date_gmt":"2022-06-08T10:54:05","guid":{"rendered":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/?p=921"},"modified":"2022-06-12T14:38:07","modified_gmt":"2022-06-12T19:38:07","slug":"l-d-robinson-k-s-n-vikrant-j-e-blendell-c-a-handwerker-r-e-garcia-interfacial-and-volumetric-melting-regimes-of-sn-nanoparticles-acta-materialia-in-press-2022","status":"publish","type":"post","link":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2022\/06\/08\/l-d-robinson-k-s-n-vikrant-j-e-blendell-c-a-handwerker-r-e-garcia-interfacial-and-volumetric-melting-regimes-of-sn-nanoparticles-acta-materialia-in-press-2022\/","title":{"rendered":"L.D. Robinson, K.S.N. Vikrant, J.E. Blendell, C.A. Handwerker, R.E. Garc\u00eda “Interfacial and Volumetric Melting Regimes of Sn Nanoparticles.” Acta Materialia. In Press. 2022"},"content":{"rendered":"\n

L.D. Robinson, K.S.N. Vikrant, J.E. Blendell, C.A. Handwerker, and R.E. Garc\u00eda “Interfacial and Volumetric Melting Regimes of Sn Nanoparticles.<\/em>” Acta Materialia.<\/strong> In Press. 2022. https:\/\/doi.org\/10.1016\/j.actamat.2022.118084<\/a><\/p>\n\n\n\n

Abstract<\/h3>\n\n\n\n

A thermodynamically consistent phase field formulation was developed to describe what has been historically known as the premelted surface layer in Sn nanoparticles. Two interfacial phases were identified: 1) a disordered interfacial phase, i.e., the experimentally observed premelted surface layer; and 2) an ordered surficial phase displaying a remnant degree of order in fully melted particles. A volumetric partially disordered particle core is predicted to exist for small particle sizes, r<7 nm. Four regimes of behavior are discussed: a) the classic premelting regime<\/em>, for r>20 nm, in which the surface of the particle forms a liquid shell at temperatures below melting with clear delineation between the solid core and the premelted surficial liquid shell, as traditionally expected; b) the transition regime<\/em>, for 5<r<20 nm, in which the volumetric chemical potential and interfacial forces balance each other out; c) the disordered volume phase regime<\/em>, for r<5 nm, in which a disordered interphase dominates the thermodynamic equilibrium of the system resulting in a partially crystalline core, and d) the mesoscale regime<\/em>, in which the nanoparticles are no longer considered crystalline and experience an associated decrease in latent heat.<\/p>\n\n\n\n

\"\"<\/figure><\/div>\n","protected":false},"excerpt":{"rendered":"

L.D. Robinson, K.S.N. Vikrant, J.E. Blendell, C.A. Handwerker, and R.E. Garc\u00eda “Interfacial…<\/p>\n

Continue reading “L.D. Robinson, K.S.N. Vikrant, J.E. Blendell, C.A. Handwerker, R.E. Garc\u00eda “Interfacial and Volumetric Melting Regimes of Sn Nanoparticles.” Acta Materialia. In Press. 2022″<\/span>…<\/a><\/div>\n
Continue reading \"L.D. Robinson, K.S.N. Vikrant, J.E. Blendell, C.A. Handwerker, R.E. Garc\u00eda “Interfacial and Volumetric Melting Regimes of Sn Nanoparticles.” Acta Materialia. In Press. 2022\"<\/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_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":[58,48,15,7],"class_list":["post-921","post","type-post","status-publish","format-standard","hentry","category-papers","tag-nanostructures","tag-phase-field","tag-properties","tag-thermodynamics","entry"],"jetpack_featured_media_url":"","jetpack_sharing_enabled":true,"jetpack_shortlink":"https:\/\/wp.me\/peeeSR-eR","jetpack_likes_enabled":true,"jetpack-related-posts":[{"id":1004,"url":"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\/","url_meta":{"origin":921,"position":0},"title":"CM Bishop, KSN Vikrant, RE Garc\u00eda “Ferroelectric grain boundary complexion transitions.” Acta Materialia 293: 121043, 2025.","author":"redwing","date":"08\/01\/2026","format":false,"excerpt":"CM Bishop, KSN Vikrant, RE Garc\u00eda \"Ferroelectric grain boundary complexion transitions.\" Acta Materialia 293: 121043, 2025. https:\/\/doi.org\/10.1016\/j.actamat.2025.121043 Abstract By starting from equilibrium volumetric and\u00a0interfacial properties\u00a0of\u00a0ferroelectric materials, a thermodynamically-consistent phase field framework incorporating polarization and\u00a0space charge\u00a0for\u00a0polycrystalline\u00a0ferroelectrics is developed. Building on Cahn\u2019s\u00a0critical point\u00a0wetting variational analysis, a series of planar\u00a0[001]\u00a0tilt\u00a0grain boundaries in tetragonal\u2026","rel":"","context":"In "Papers"","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":921,"position":1},"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.","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 "Papers"","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":921,"position":2},"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.","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 "Papers"","block_context":{"text":"Papers","link":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/category\/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":921,"position":3},"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).","author":"redwing","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"","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":921,"position":4},"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.","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 "Papers"","block_context":{"text":"Papers","link":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/category\/papers\/"},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":989,"url":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/2026\/07\/31\/larry-k-aagesen-stephanie-a-pitts-brennan-k-harris-tiankai-yao-lucas-d-robinson-r-edwin-garcia-electrochemical-grand-potential-based-phase-field-simulation-of-electric-field-assisted-sintering\/","url_meta":{"origin":921,"position":5},"title":"Larry K Aagesen, Stephanie A Pitts, Brennan K Harris, Tiankai Yao, Lucas D Robinson, R Edwin Garc\u00eda “Electrochemical grand potential-based phase-field simulation of electric field-assisted sintering.” Acta Materialia. 275: 120049, 2024.","author":"redwing","date":"07\/31\/2026","format":false,"excerpt":"Larry K Aagesen, Stephanie A Pitts, Brennan K Harris, Tiankai Yao, Lucas D Robinson, R Edwin Garc\u00eda \"Electrochemical grand potential-based phase-field simulation of electric field-assisted sintering.\" Acta Materialia. 275: 120049, 2024. https:\/\/doi.org\/10.1016\/j.actamat.2024.120049 Abstract An electrochemical grand potential functional was proposed to describe the sintering of an ionic ceramic green body.\u2026","rel":"","context":"In "Papers"","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\/921","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=921"}],"version-history":[{"count":4,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/posts\/921\/revisions"}],"predecessor-version":[{"id":932,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/posts\/921\/revisions\/932"}],"wp:attachment":[{"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/media?parent=921"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/categories?post=921"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/engineering.purdue.edu\/ComputationalMaterials\/index.php\/wp-json\/wp\/v2\/tags?post=921"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}