{"id":2245,"date":"2024-04-10T13:38:05","date_gmt":"2024-04-10T11:38:05","guid":{"rendered":"http:\/\/10.128.3.28\/?page_id=2245"},"modified":"2025-07-23T15:00:41","modified_gmt":"2025-07-23T13:00:41","slug":"proyecto-predicting-thermoelastic-properties-of-2d-materials","status":"publish","type":"page","link":"https:\/\/computaex.es\/en\/proyecto-predicting-thermoelastic-properties-of-2d-materials\/","title":{"rendered":"Predicting thermoelastic properties of 2D materials"},"content":{"rendered":"<div class=\"field field-name-field-proy-investigadores field-type-text-long field-label-above\">\n<div class=\"field-label\" style=\"text-align: justify;\"><strong>Researchers:\u00a0<\/strong><\/div>\n<div class=\"field-items\" style=\"text-align: justify;\">\n<div class=\"field-item even\">\n<ul>\n<li>Jose Javier Plata Ramos.\u00a0<a href=\"https:\/\/www.us.es\/\" target=\"_blank\" rel=\"noopener\">Universidad de Sevilla<\/a>.<\/li>\n<\/ul>\n<\/div>\n<\/div>\n<\/div>\n<div class=\"field field-name-field-proy-descripcion field-type-text-long field-label-above\" style=\"text-align: justify;\">\n<div class=\"field-label\"><strong>Description:\u00a0<\/strong><\/div>\n<div class=\"field-items\">\n<div class=\"field-item even\">\n<p>Proyecto asignado a trav\u00e9s de la\u00a0<a href=\"https:\/\/www.res.es\/\" target=\"_blank\" rel=\"noopener\">Red Espa\u00f1ola de Supercomputaci\u00f3n<\/a>.<\/p>\n<p>Since the isolation of graphene, two dimensional (2D) materials have attracted the attention due to their exceptional and exotic mechanical, electronic, thermal, and optical properties for potential applications in different key technologies. The prediction of most of their electronic and mechanical properties using DFT commercial packages is considered as routine. However, static DFT calculations does not include thermal effects, so the prediction of materials properties such as elasticity on working conditions and their thermal stability remains as a challenge. In previous periods, we established a new methodology to predict the thermoelastic properties of ultra-high temperature ceramics, reducing the computational cost. In this activity, we strive to calculate the temperature-dependent elastic constants of 2D materials.<\/p>\n<\/div>\n<\/div>\n<\/div>","protected":false},"excerpt":{"rendered":"<p>Investigadores:\u00a0 Jose Javier Plata Ramos.\u00a0Universidad de Sevilla. Descripci\u00f3n:\u00a0 Proyecto asignado a trav\u00e9s de la\u00a0Red Espa\u00f1ola de Supercomputaci\u00f3n. Since the isolation of graphene, two dimensional (2D) materials have attracted the attention &#8230;<\/p>","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"categories":[103,81],"tags":[],"class_list":["post-2245","page","type-page","status-publish","hentry","category-ciencias-de-la-vida","category-proyectos"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.1.1 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>Predicting thermoelastic properties of 2D materials - Fundaci\u00f3n COMPUTAEX<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/computaex.es\/en\/proyecto-predicting-thermoelastic-properties-of-2d-materials\/\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Predicting thermoelastic properties of 2D materials - Fundaci\u00f3n COMPUTAEX\" \/>\n<meta property=\"og:description\" content=\"Investigadores:\u00a0 Jose Javier Plata Ramos.\u00a0Universidad de Sevilla. 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