{"id":8531,"date":"2023-12-20T16:29:30","date_gmt":"2023-12-20T16:29:30","guid":{"rendered":"https:\/\/dailyai.com\/?p=8531"},"modified":"2023-12-21T10:38:38","modified_gmt":"2023-12-21T10:38:38","slug":"ml-boosts-x-ray-diffraction-techniques-to-find-new-materials","status":"publish","type":"post","link":"https:\/\/dailyai.com\/pt\/2023\/12\/ml-boosts-x-ray-diffraction-techniques-to-find-new-materials\/","title":{"rendered":"ML refor\u00e7a t\u00e9cnicas de difra\u00e7\u00e3o de raios X para encontrar novos materiais"},"content":{"rendered":"<p><strong>Os cientistas de materiais est\u00e3o constantemente a tentar encontrar novos materiais com propriedades espec\u00edficas, mas os dados experimentais que t\u00eam de analisar s\u00e3o avassaladores. Os cientistas da Universidade de Rochester utilizaram a aprendizagem autom\u00e1tica para acelerar a descoberta de novos materiais.<\/strong><\/p>\n<p>Os materiais cristalinos t\u00eam uma estrutura de rede cristalina bem ordenada e repetitiva, um arranjo regular e repetitivo de \u00e1tomos, i\u00f5es ou mol\u00e9culas. A disposi\u00e7\u00e3o destas redes cristalinas \u00e9 o que confere propriedades espec\u00edficas a um material.<\/p>\n<p>Quer um material que seja duro, aguente altas temperaturas e seja leve? Para isso, \u00e9 necess\u00e1rio obter a estrutura de rede correcta.<\/p>\n<p>Quando os cientistas de materiais sintetizam uma pequena quantidade de um novo material, querem saber que tipo de propriedades este ter\u00e1 para decidir se \u00e9 ou n\u00e3o vi\u00e1vel para uma determinada aplica\u00e7\u00e3o.<\/p>\n<p>Para tal, utilizam um processo designado por difra\u00e7\u00e3o de raios X (XRD). A amostra de material \u00e9 normalmente mo\u00edda at\u00e9 se tornar um p\u00f3 fino e depois exposta a raios X. Quando os raios X atingem os \u00e1tomos do material, s\u00e3o difractados em v\u00e1rias direc\u00e7\u00f5es, dependendo da disposi\u00e7\u00e3o at\u00f3mica.<\/p>\n<p>Os raios X difractados criam um padr\u00e3o num detetor que os cientistas precisam de analisar para inferir as propriedades do material. O problema \u00e9 que o XRD produz uma enorme quantidade de dados que est\u00e1 para al\u00e9m da capacidade dos humanos de os processar eficazmente.<\/p>\n<h2>Automatiza\u00e7\u00e3o da an\u00e1lise de materiais<\/h2>\n<p><a href=\"https:\/\/www.nature.com\/articles\/s41524-023-01164-8\" target=\"_blank\" rel=\"noopener\">O estudo<\/a>liderado pelo estudante de doutoramento em ci\u00eancia dos materiais <a href=\"https:\/\/www.hajim.rochester.edu\/me\/sites\/abdolrahim\/people\/graduate-students\/jerardo-salgado\/index.html\" target=\"_blank\" rel=\"noopener\">Jerardo Salgado<\/a>A empresa de investiga\u00e7\u00e3o, Inc., desenvolveu modelos de aprendizagem profunda para automatizar a classifica\u00e7\u00e3o de materiais com base nos seus padr\u00f5es XRD.<\/p>\n<p>Os modelos de aprendizagem autom\u00e1tica que utilizaram empregam redes neuronais convolucionais (CNN), um tipo de rede neuronal que \u00e9 muito boa para efetuar tarefas de reconhecimento e classifica\u00e7\u00e3o de imagens.<\/p>\n<p>Os modelos foram treinados num grande conjunto de dados de padr\u00f5es XRD sint\u00e9ticos, que foram gerados para representar uma vasta gama de condi\u00e7\u00f5es experimentais e tipos de materiais.<\/p>\n<p>Chefe de projeto <a href=\"https:\/\/www.hajim.rochester.edu\/me\/people\/faculty\/abdolrahim_niaz\/index.html\" target=\"_blank\" rel=\"noopener\">Niaz Abdolrahim<\/a>, professor de engenharia mec\u00e2nica na Universidade de Rochester, afirmou: \"H\u00e1 muita ci\u00eancia e f\u00edsica dos materiais escondida em cada uma destas imagens, e est\u00e3o a ser produzidos terabytes de dados todos os dias em instala\u00e7\u00f5es e laborat\u00f3rios de todo o mundo\".<\/p>\n<p>Explicando os benef\u00edcios da aprendizagem autom\u00e1tica na sua \u00e1rea, Abdolrahim afirmou: \"O desenvolvimento de um bom modelo para analisar estes dados pode realmente ajudar a acelerar a inova\u00e7\u00e3o dos materiais, a compreender os materiais em condi\u00e7\u00f5es extremas e a desenvolver materiais para diferentes aplica\u00e7\u00f5es tecnol\u00f3gicas\".<\/p>\n<p>A utiliza\u00e7\u00e3o de modelos de aprendizagem autom\u00e1tica para filtrar os dados XRD pode acelerar o desenvolvimento de componentes electr\u00f3nicos mais r\u00e1pidos, melhores baterias ou mesmo artigos do dia a dia com maior durabilidade, funcionalidade ou sustentabilidade.<\/p>\n<p>Os investigadores do <a href=\"https:\/\/cmap.rochester.edu\/\" target=\"_blank\" rel=\"noopener\">Centro de Mat\u00e9ria a Press\u00f5es At\u00f3micas<\/a> t\u00eam um interesse especial nesta aplica\u00e7\u00e3o da aprendizagem autom\u00e1tica. A utiliza\u00e7\u00e3o da XRD durante a exposi\u00e7\u00e3o de materiais a press\u00f5es e temperaturas extremas ajudar\u00e1 os cientistas n\u00e3o s\u00f3 a descobrir formas de criar novos materiais, mas tamb\u00e9m a aprender sobre a forma\u00e7\u00e3o de estrelas e planetas.<\/p>\n<p>A utiliza\u00e7\u00e3o da IA para libertar as mentes cient\u00edficas do trabalho \u00e1rduo da an\u00e1lise de dados far\u00e1 com que o seu pensamento criativo seja mais bem direcionado para a conce\u00e7\u00e3o dos materiais que ir\u00e3o moldar o nosso futuro.<\/p>","protected":false},"excerpt":{"rendered":"<p>Os cientistas de materiais est\u00e3o constantemente a tentar encontrar novos materiais com propriedades espec\u00edficas, mas os dados experimentais que t\u00eam de analisar s\u00e3o avassaladores. Os cientistas da Universidade de Rochester utilizaram a aprendizagem autom\u00e1tica para acelerar a descoberta de novos materiais. Os materiais cristalinos t\u00eam uma estrutura de rede cristalina bem ordenada e repetitiva, uma disposi\u00e7\u00e3o regular e repetitiva de \u00e1tomos, i\u00f5es ou mol\u00e9culas. A disposi\u00e7\u00e3o destas redes cristalinas \u00e9 o que confere propriedades espec\u00edficas a um material. Quer um material que seja duro, aguente altas temperaturas e seja leve? \u00c9 preciso obter a estrutura de rede correcta para que isso aconte\u00e7a. Quando os cientistas de materiais sintetizam uma pequena quantidade de<\/p>","protected":false},"author":6,"featured_media":8534,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[84],"tags":[150,105],"class_list":["post-8531","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-industry","tag-ai-benefits","tag-machine-learning"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.3 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>ML boosts X-ray diffraction techniques to find new materials | DailyAI<\/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:\/\/dailyai.com\/pt\/2023\/12\/ml-boosts-x-ray-diffraction-techniques-to-find-new-materials\/\" \/>\n<meta property=\"og:locale\" content=\"pt_PT\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"ML boosts X-ray diffraction techniques to find new materials | DailyAI\" \/>\n<meta property=\"og:description\" content=\"Material scientists are constantly trying to find new materials with specific properties but the experimental data they have to wade through is overwhelming. Scientists at the University of Rochester used machine learning to fast-track new materials discovery. Crystalline materials have a well-ordered, repeating crystal lattice structure, a regular, repeating arrangement of atoms, ions, or molecules. The arrangement of these crystal lattices is what gives a material specific properties. Want a material that\u2019s hard, handles high temperatures, and is lightweight? You\u2019ve got to get just the right lattice structure to make that happen. 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