Formation of the smectic-B crystal from a simple monatomic liquid.

Phys Rev E Stat Nonlin Soft Matter Phys

Department of Mathematics and Centre for Parallel Computers, Royal Institute of Technology, S-100 44 Stockholm, Sweden.

Published: December 2013

We report a molecular dynamics simulation demonstrating that the smectic-B crystalline phase (Cry-B), commonly observed in mesogenic systems of anisotropic molecules, can be formed by a system of identical particles interacting via a spherically symmetric potential. The Cry-B phase forms as a result of a first-order transition from an isotropic liquid phase upon isochoric cooling at appropriate number density. Its structure, determined by the design of the pair potential, corresponds to the Cry-B structure formed by elongated particles with the aspect ratio 1.8. The diffraction pattern and the real-space structure inspection demonstrate dominance of the ABC-type of axial layer stacking. This result opens a general possibility of producing smectic phases using isotropic interparticle interaction both in simulations and in colloidal systems.

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http://dx.doi.org/10.1103/PhysRevE.88.062502DOI Listing

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