Monte Carlo approach for studying microphases applied to the axial next-nearest-neighbor Ising and the Ising-Coulomb models
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The equilibrium phase behavior of microphase-forming systems is notoriously difficult to obtain because of the extended metastability of their modulated phases. In this paper we present a systematic simulation methodology for studying layered microphases and apply the approach to two prototypical lattice-based systems: the three-dimensional axial next-nearest-neighbor Ising (ANNNI) and Ising-Coulomb (IC) models. The method involves thermodynamically integrating along a reversible path established between a reference system of free spins under an ordering field and the system of interest. The resulting free-energy calculations unambiguously locate the phase boundaries. Simple phases are not found to play a particularly significant role in the devil's flowers and interfacial roughening plays at most a small role in the ANNNI layered regime. With the help of generalized order parameters, the paramagnetic-modulated critical transition of the ANNNI model is also studied. We confirm the XY universality of the paramagnetic-modulated transition and its isotropic nature. © 2011 American Physical Society.
Published Version (Please cite this version)10.1103/PhysRevB.83.214303
Publication InfoZhang, K; & Charbonneau, Patrick (2011). Monte Carlo approach for studying microphases applied to the axial next-nearest-neighbor Ising and the Ising-Coulomb models. Physical Review B - Condensed Matter and Materials Physics, 83(21). 10.1103/PhysRevB.83.214303. Retrieved from https://hdl.handle.net/10161/12599.
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Associate Professor of Chemistry
Professor Charbonneau studies soft matter. His work combines theory and simulation to understand the glass problem, protein crystallization, microphase formation, and colloidal assembly in external fields.