"2014-05-31+02:00"^^ . . "0"^^ . "4"^^ . "4"^^ . "2013-02-25+01:00"^^ . . . "0"^^ . "nanoalloys" . . "2012-03-01+01:00"^^ . . " strength" . "2015-01-05+01:00"^^ . "LD12037" . "nanoalloys; electronic structure; strength; magnetic properties"@en . . . " electronic structure" . "Ab initio study of bimetallic magnetic clusters and nanowires"@en . "Studium bimetalick\u00FDch magnetick\u00FDch klastr\u016F a nanodr\u00E1t\u016F z prvn\u00EDch princip\u016F" . . . . . . "http://www.isvav.cz/projectDetail.do?rowId=LD12037"^^ . . . . . "1"^^ . . . "C\u00EDlem p\u0159ekl\u00E1dan\u00E9ho projektu je z\u00EDskat nov\u00E9 fundament\u00E1ln\u00ED informace o struktu\u0159e, stabilit\u011B, mechanick\u00FDch a magnetick\u00FDch vlastnostech nanoslitin Fe−Pt a Fe−Pd. Na z\u00E1klad\u011B v\u00FDpo\u010Dt\u016F elektronov\u00E9 struktury a tot\u00E1ln\u00EDch energi\u00ED z prvn\u00EDch princip\u016F chceme studovat tyto nanoslitiny ve form\u011B atomov\u00FDch klastr\u016F a nanovl\u00E1ken. Pl\u00E1nujeme zde analyzovat r\u016Fzn\u00E1 strukturn\u00ED a magnetick\u00E1 uspo\u0159\u00E1d\u00E1n\u00ED a jejich vliv na jejich mechanick\u00E9 vlastnosti. Mimoto tak\u00E9 chceme vypo\u010D\u00EDtat teoretickou tahovou pevnost nanovl\u00E1ken Fe−Pt a Fe−Pd. Tato veli\u010Dina se d\u00E1 teoreticky ur\u010Dit ab initio modelov\u00E1n\u00EDm jejich tahov\u00E9 zkou\u0161ky. Podobn\u011B se budeme sna\u017Eit ur\u010Dit i moduly objemov\u00E9 pru\u017Enosti a dal\u0161\u00ED elastick\u00E9 konstanty pro nanoklastry Fe−Pt a Fe−Pd. T\u00EDm p\u0159isp\u011Bjeme do pl\u00E1novan\u00E9 evropsk\u00E9 datab\u00E1ze informac\u00ED o nanoslitin\u00E1ch." . "The goal of the proposed research is to enhance our fundamental understanding of stability and structural ordering as well as mechanical and magnetic properties of Fe−Pt and Fe−Pd nanoalloys. For this purpose, we will study, from first principles, the total energy as well as magnetic and mechanical characteristics of Fe−Pt and Fe−Pd nanowires and clusters as a function of their chemical composition and coordination. We will also determine the theoretical strength of the Fe-Pt and Fe-Pd nanowires and predict the elastic characteristics of Fe-Pt and Fe-Pd nanoclusters."@en .