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arXiv · 1906.08304

Consequences of lattice mismatch for phase equilibrium in heterostructured solids

Layne B. Frechette·Christoph Dellago·Phillip L. Geissler
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Abstract

Lattice mismatch can substantially impact the spatial organization of heterogeneous materials. We examine a simple model for lattice-mismatched solids over a broad range of temperature and composition, revealing both uniform and spatially modulated phases. Scenarios for coexistence among them are unconventional due to the extensive mechanical cost of segregation. Together with an adapted Maxwell construction for elastic phase separation, mean field theory predicts a phase diagram that captures key low-temperature features of Monte Carlo simulations.

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BibTeXRIS

Layne B. Frechette, Christoph Dellago, Phillip L. Geissler. 2019-06-19. Consequences of lattice mismatch for phase equilibrium in heterostructured solids. https://doi.org/10.1103/physrevlett.123.135701

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