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, P (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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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.
AssistantProfessor of Chemistry at Duke Kunshan University
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