{"id":90206,"date":"2018-03-10T00:15:33","date_gmt":"2018-03-10T00:15:33","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/estudio-teorico-de-agregados-bimetalicos-libres-y-ensamblados-en-solidos\/"},"modified":"2018-03-10T00:15:33","modified_gmt":"2018-03-10T00:15:33","slug":"estudio-teorico-de-agregados-bimetalicos-libres-y-ensamblados-en-solidos","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/estudio-teorico-de-agregados-bimetalicos-libres-y-ensamblados-en-solidos\/","title":{"rendered":"Estudio te\u00f3rico de agregados bimet\u00e1licos libres y ensamblados en s\u00f3lidos"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Luis Miguel Molina Mart\u00edn <\/strong><\/h2>\n<p>Se llevaron a cabo simulaciones ab initio de varios tipos de agregados mixtos alcalino-plono, de inter\u00e9s para las correspondientes aleaci\u00f3n s\u00f3lidas y l\u00edquieas. El modelo utilizado hace uso de la teor\u00eda del funcional de la densidad (dft), en la aproximaci\u00f3n lda, conjuntamente con ondas planas para desarrollar las funciones de onda y pseudopotenciales que dan cuenta de la interacci\u00f3n electr\u00f3n i\u00f3n.  primeramente, se estudiaron los agregados libres anpb y anpb3 ( a = li, na, k), encontr\u00e1ndose altas estabilidades para los agregados a4pb y a4pb4; esto sugiere que tales unidades pueden quiz\u00e1s mantener algunas de sus propiedades e identidad propia en el seno de gases condensadas a-pb al 20% pb y 50% pb.  posteriormente se simul\u00f3 el samblaje de estos agregados en fases condensadas, observ\u00e1ndose que no s\u00f3lo es necesaria un alta estabilidad intr\u00ednseca de los mismos para la formaci\u00f3n con \u00e9xito de un s\u00f3lido de agregados, sino tambi\u00e9n un relativamente peque\u00f1a interacci\u00f3n mutua entre los mismos. Por otra parte, el ensamblaje de agregados al13h en distintos tipos de s\u00f3lidos demostr\u00f3 que otro factor adicional para garantizar la posibilidad de formaci\u00f3n de s\u00f3lidos de agregados es una favorable orientaci\u00f3n relativa de los mismos.Otros temas estudiados fueron la supervivencia de unidades sn4 en la fase pl\u00e1stica de la aleaci\u00f3n nasn, que muestra una relativamente alta robustez de las mismas, y las propiedades electr\u00f3nicas de aleaciones ternarias nazk1-x pb (para las cuales se observa una amplitud creciente del intervalo de energ\u00edas prohibidas a medida que se incrementa el contendio en potasio).<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Estudio te\u00f3rico de agregados bimet\u00e1licos libres y ensamblados en s\u00f3lidos<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Estudio te\u00f3rico de agregados bimet\u00e1licos libres y ensamblados en s\u00f3lidos <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Luis Miguel Molina Mart\u00edn <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Valladolid<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 18\/05\/2001<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n<h3>Direcci\u00f3n y tribunal<\/h3>\n<ul>\n<li><strong>Director de la tesis<\/strong>\n<ul>\n<li> Alonso Mart\u00edn Julio Alfonso<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Miguel Moreno mas <\/li>\n<li>Jos\u00e9 Manuel Garc\u00eda de la vega (vocal)<\/li>\n<li>Jes\u00fas Mar\u00eda Ugalde uribe echeverria (vocal)<\/li>\n<li>\u00e1ngel Ma\u00f1anes p\u00e9rez (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Luis Miguel Molina Mart\u00edn Se llevaron a cabo simulaciones ab initio de varios tipos de agregados mixtos [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"site-sidebar-layout":"default","site-content-layout":"","ast-site-content-layout":"","site-content-style":"default","site-sidebar-style":"default","ast-global-header-display":"","ast-banner-title-visibility":"","ast-main-header-display":"","ast-hfb-above-header-display":"","ast-hfb-below-header-display":"","ast-hfb-mobile-header-display":"","site-post-title":"","ast-breadcrumbs-content":"","ast-featured-img":"","footer-sml-layout":"","theme-transparent-header-meta":"","adv-header-id-meta":"","stick-header-meta":"","header-above-stick-meta":"","header-main-stick-meta":"","header-below-stick-meta":"","astra-migrate-meta-layouts":"default","ast-page-background-enabled":"default","ast-page-background-meta":{"desktop":{"background-color":"var(--ast-global-color-4)","background-image":"","background-repeat":"repeat","background-position":"center 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