Abstract
Density functional theory was used to predict the diffusion and precipitation of Cr in Cu. The energy barrier of Cr diffusion in Cu is comparable to the self-diffusion of Cr, and higher than the energy barrier of Cu self-diffusion. The simulations support the experimentally measured hardness of 30 nm thick nanolaminate layers of Cr/Cu-3.4%Cr. As-deposited films had a hardness of 6.25 GPa; annealing at 373 K decreased hardness to 5.95 GPa, while annealing at 573 K increased the hardness to 6.6 GPa. Transmission electron microscopy indicates there is significant local strain due to precipitation, in agreement with theoretical predictions.
| Original language | English |
|---|---|
| Pages (from-to) | 33-36 |
| Number of pages | 4 |
| Journal | Scripta Materialia |
| Volume | 136 |
| DOIs | |
| State | Published - Jul 15 2017 |
Bibliographical note
Publisher Copyright:© 2017 Elsevier Ltd
Funding
The authors acknowledge support of the Electron Microscopy Center at the University of Kentucky and the financial support of the National Science Foundation under grant number CMMI 1634772. We greatly appreciate the assistance of Prof. Xinghang Zhang, Qiang Li, and Sichuang Xue of Purdue University for their assistance in performing SAED measurements and Dr. Nicolas Briot for FIB sample preparation.
| Funders | Funder number |
|---|---|
| Sichuang Xue of Purdue University | |
| National Science Foundation Arctic Social Science Program | 1634772, CMMI 1634772 |
| University of Kentucky |
Keywords
- Density functional theory (DFT)
- Multilayers
- Nanoindentation
- Precipitation
- Sputtering
ASJC Scopus subject areas
- General Materials Science
- Condensed Matter Physics
- Mechanics of Materials
- Mechanical Engineering
- Metals and Alloys
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