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Solid-state amorphization of Cu nanolayers embedded in aCu64Zr36glass

Brink, Tobias ; Şopu, Daniel ; Albe, Karsten (2015)
Solid-state amorphization of Cu nanolayers embedded in aCu64Zr36glass.
In: Physical Review B, 91 (18)
doi: 10.1103/PhysRevB.91.184103
Article, Bibliographie

Abstract

Solid-state amorphization of crystalline copper nanolayers embedded in a Cu64Zr36 metallic glass is studied by molecular dynamics simulations for different orientations of the crystalline layer. We show that solid-state amorphization is driven by a reduction of interface energy, which compensates the bulk excess energy of the amorphous nanolayer with respect to the crystalline phase up to a critical layer thickness. A simple thermodynamic model is derived, which describes the simulation results in terms of orientation-dependent interface energies. Detailed analysis reveals the structure of the amorphous nanolayer and allows a comparison to a quenched copper melt, providing further insights into the origin of excess and interface energy.

Item Type: Article
Erschienen: 2015
Creators: Brink, Tobias ; Şopu, Daniel ; Albe, Karsten
Type of entry: Bibliographie
Title: Solid-state amorphization of Cu nanolayers embedded in aCu64Zr36glass
Language: English
Date: 6 May 2015
Journal or Publication Title: Physical Review B
Volume of the journal: 91
Issue Number: 18
DOI: 10.1103/PhysRevB.91.184103
Abstract:

Solid-state amorphization of crystalline copper nanolayers embedded in a Cu64Zr36 metallic glass is studied by molecular dynamics simulations for different orientations of the crystalline layer. We show that solid-state amorphization is driven by a reduction of interface energy, which compensates the bulk excess energy of the amorphous nanolayer with respect to the crystalline phase up to a critical layer thickness. A simple thermodynamic model is derived, which describes the simulation results in terms of orientation-dependent interface energies. Detailed analysis reveals the structure of the amorphous nanolayer and allows a comparison to a quenched copper melt, providing further insights into the origin of excess and interface energy.

Divisions: 11 Department of Materials and Earth Sciences
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences > Material Science > Materials Modelling
Zentrale Einrichtungen > University IT-Service and Computing Centre (HRZ) > Hochleistungsrechner
Zentrale Einrichtungen > University IT-Service and Computing Centre (HRZ)
Zentrale Einrichtungen
Date Deposited: 07 May 2015 08:43
Last Modified: 26 Jul 2016 10:39
PPN:
Funders: We would like to thank Mohammad Ghafari for many helpful discussions. The authors gratefully acknowledge financial support by the Deutsche Forschungsgemeinschaft (DFG) through project Grant No. AL 578/13-1,, We would like to thank Mohammad Ghafari for many helpful discussions. The authors gratefully acknowledge financial support by the Deutsche Forschungsgemeinschaft (DFG) through project Grant No. AL 578/13-1,
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