Publication date: Dec 03, 2018
We propose a general method to calculate the average misfit volumes of atoms in any random alloy via DFT calculations. The method is validated with an example of a 6-component equi-composition high entropy alloy. The special quasi-random structures (SQSs) used in our work are reported here.
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|13.8 KiB||The file contains the special quasi-random structures (SQSs) used in our work.|