Prediction of novel alloy phases of Al with Sc or Ta
Using the evolutionary optimization algorithm, as implemented in the USPEX crystal predictor program, and first principles total energy calculations, the compositional phase diagrams for Al-Sc and Al-Ta alloy systems at zero temperature and pressure have been calculated. In addition to the known bin...
| Main Authors: | , , , , |
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| Format: | Journal Article |
| Published: |
Nature Publishing Group
2015
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| Online Access: | http://hdl.handle.net/20.500.11937/24804 |