Structurally driven asymmetric miscibility in the phase diagram of W-Ti.

@article{AAngqvist2019StructurallyDA,
  title={Structurally driven asymmetric miscibility in the phase diagram of W-Ti.},
  author={Mattias AAngqvist and J. Rahm and L. Gharaee and P. Erhart},
  journal={arXiv: Materials Science},
  year={2019}
}
Phase diagrams for multi-component systems represent crucial information for understanding and designing materials but are very time consuming to assess experimentally. Computational modeling plays an increasingly important role in this regard but has been largely focused on systems with matching lattice structures and/or stable boundary phases. Here, using a combination of density functional theory calculations, alloy cluster expansions, free energy integration, and Monte Carlo simulations, we… Expand

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