Schäfer, Jonathan ; Ashkenazy, Yinon ; Albe, Karsten ; Averback, Robert S. (2012)
Effect of solute segregation on thermal creep in dilute nanocyrstalline Cu alloys.
In: Materials Science and Engineering A, 546 (307)
Article
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Abstract
The effect of solute segregation on thermal creep in dilute nanocrystalline alloys (Cu–Nb, Cu–Fe, Cu–Zr) was studied at elevated temperatures using molecular dynamics simulations. A combined Monte-Carlo and molecular dynamics simulation technique was first used to equilibrate the distribution of segregating solutes. Then the creep rates of the diluted Cu samples were measured as functions of temperature, composition, load and accumulated strain. In Cu–Nb samples, the creep rates were observed to increase initially with strain, but then saturate at a value close to that obtained for alloys prepared by randomly locating the solute in the grain boundaries. This behavior is attributed to an increase in grain boundary volume and energy with added chemical disorder. At high temperatures, the apparent activation energy for creep was anomalously high, 3 eV, but only 0.3 eV at lower temperatures. This temperature dependence is found to correlate with atomic mobilities in bulk Cu–Nb glasses. Calculations of creep in nanocrystalline Cu alloys containing other solutes, Fe and Zr, show that the suppression of creep rate scales with their atomic volumes when dissolved in Cu.
| Item Type: | Article |
|---|---|
| Erschienen: | 2012 |
| Creators: | Schäfer, Jonathan ; Ashkenazy, Yinon ; Albe, Karsten ; Averback, Robert S. |
| Type of entry: | Bibliographie |
| Title: | Effect of solute segregation on thermal creep in dilute nanocyrstalline Cu alloys |
| Language: | English |
| Date: | 1 June 2012 |
| Publisher: | Elsevier Science Publishing Company |
| Journal or Publication Title: | Materials Science and Engineering A |
| Volume of the journal: | 546 |
| Issue Number: | 307 |
| URL / URN: | http://www.sciencedirect.com/science/article/pii/S0921509312... |
| Abstract: | The effect of solute segregation on thermal creep in dilute nanocrystalline alloys (Cu–Nb, Cu–Fe, Cu–Zr) was studied at elevated temperatures using molecular dynamics simulations. A combined Monte-Carlo and molecular dynamics simulation technique was first used to equilibrate the distribution of segregating solutes. Then the creep rates of the diluted Cu samples were measured as functions of temperature, composition, load and accumulated strain. In Cu–Nb samples, the creep rates were observed to increase initially with strain, but then saturate at a value close to that obtained for alloys prepared by randomly locating the solute in the grain boundaries. This behavior is attributed to an increase in grain boundary volume and energy with added chemical disorder. At high temperatures, the apparent activation energy for creep was anomalously high, 3 eV, but only 0.3 eV at lower temperatures. This temperature dependence is found to correlate with atomic mobilities in bulk Cu–Nb glasses. Calculations of creep in nanocrystalline Cu alloys containing other solutes, Fe and Zr, show that the suppression of creep rate scales with their atomic volumes when dissolved in Cu. |
| Uncontrolled Keywords: | Creep, Nanocrystalline materials, Grain boundary structure, Grain boundary segregation, Molecular dynamics |
| Identification Number: | doi:10.1016/j.msea.2012.03.078 |
| 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 |
| Date Deposited: | 31 Aug 2012 09:56 |
| Last Modified: | 26 Aug 2018 21:27 |
| PPN: | |
| Funders: | DFG Al578-7, Financial support for this project was provided by Deutsche Forschungsgemeinschaft through FOR714., One of us (JS) has been supported by DAAD for his visiting stay at UIUC., Research at UIUC was supported by the US Department of Energy, Basic Energy Sciences under grant DEFG02-05ER46217. |
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