Molecular dynamics and experimental study of the growth, structure and properties of Zr–Cu films

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F49777513%3A23520%2F20%3A43958127" target="_blank" >RIV/49777513:23520/20:43958127 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1016/j.jallcom.2020.154433" target="_blank" >https://doi.org/10.1016/j.jallcom.2020.154433</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.jallcom.2020.154433" target="_blank" >10.1016/j.jallcom.2020.154433</a>

Result language
angličtina
Original language name
Molecular dynamics and experimental study of the growth, structure and properties of Zr–Cu films
Original language description
Extensive molecular dynamics simulations of the atom-by-atom growth of Zr–Cu films were performed in a wide range of compositions, energies and growth templates. The results are correlated with and used to explain experimental results obtained using magnetron sputtering of the same films. After the identification of compositional ranges corresponding to crystalline and amorphous films, we particularly focus on the evolution of characteristics of the amorphous compositions. The quantities of interest include resputtering during the film growth, surface composition, densification, crystallinity, homogeneity, short-range order (bonding statistics and coordination numbers), medium-range order (ring statistics and common neighbor statistics) and functional properties (hardness and glass transition temperature). The results are important for understanding the structures and properties of Zr–Cu films in general and Zr–Cu metallic glasses in particular, and for the design of pathways for their preparation.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
20506 - Coating and films

Project
<a href="/en/project/GA19-14011S" target="_blank" >GA19-14011S: Design of novel functional materials, and pathways for their reactive magnetron sputtering, using advanced computer simulations</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2020
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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