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Ab initio calculations and high P-T experiments on iron, iron alloys and other materials: hcp-Fe-Si-C SQS structure

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posted on 27.11.2019 by Yunguo Li, Lidunka Vocadlo, John Brodholt
The folder contains the structures used for the cluster expansion for the hcp-Fe-Si-C alloy by using ATAT code.
It also contains the Monte Carlo calculations for the production of special quasirandom structures of the hcp-Fe-Si-C alloy.
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NE/M015181/1

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