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Published on: July 17, 2015
Consequences of Lattice Mismatch for Phase Equilibrium in Heterostructured Solids
Layne B Frechette1, Christoph Dellago2, Phillip L Geissler1
1Department of Chemistry, University of California, Berkeley, California 94720, USA and Erwin Schrödinger Institute for Mathematics and Physics, University of Vienna, Boltzmanngasse 9, Wien 1090, Austria.
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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