Brink, Tobias and Şopu, Daniel and Albe, Karsten (2015):
Solid-state amorphization of Cu nanolayers embedded in aCu64Zr36glass.
In: Physical Review B, pp. 184103(1-10), 91, (18), ISSN 1098-0121, [Online-Edition: http://dx.doi.org/10.1103/PhysRevB.91.184103],
[Article]
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 and Şopu, Daniel and Albe, Karsten |
| Title: | Solid-state amorphization of Cu nanolayers embedded in aCu64Zr36glass |
| Language: | English |
| 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. |
| Journal or Publication Title: | Physical Review B |
| Volume: | 91 |
| Number: | 18 |
| 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 |
| Official URL: | http://dx.doi.org/10.1103/PhysRevB.91.184103 |
| Identification Number: | doi:10.1103/PhysRevB.91.184103 |
| 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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