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

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

20506 - Coating and films

Projekt

<a href="/cs/project/GA19-14011S" target="_blank" >GA19-14011S: Design nových funkčních materiálů, a cest pro jejich reaktivní magnetronové naprašování, pomocí pokročilých počítačových simulací</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2020

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

JOURNAL OF ALLOYS AND COMPOUNDS

ISSN

0925-8388

e-ISSN

—

Svazek periodika

828

Číslo periodika v rámci svazku

5 JUL 2020

Stát vydavatele periodika

CH - Švýcarská konfederace

Počet stran výsledku

10

Strana od-do

„154433-1“-„154433-10“

Kód UT WoS článku

000522634300060

EID výsledku v databázi Scopus

2-s2.0-85079866679