ICAMS / Interdisciplinary Centre for Advanced Materials Simulation

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Phase-field crystal modeling of anisotropic material systems of arbitrary Poisson's ratio

M. A. Choudhary, J. Kundin, H. Emmerich.

Philosophical Magazine Letters, 92, 451-458, (2012)

Abstract
Recently, we derived a generalized model for isotropic as well as anisotropic crystal lattice systems of arbitrary Poisson's ratio within the framework of the continuum phase-field crystal (PFC) approach [R. Prieler, J. Hubert, D. Li, B. Verleye, R. Haberkern, H. Emmerich, J. Phys.: Condens. Matter 21 (2009) p.464110] and showed how its parameters can be derived from classical density functional theory [M.A. Choudhary, D. Li, H. Emmerich and H. Löwen, J. Phys.: Condens. Matter 23 (2011) p.265005]. Here, we present a general procedure to model anisotropic material systems of arbitrary Poisson's ratios. In that way we can for the first time identify PFC solutions of arbitrary Poisson's ratios and thereby extend the applicability of the PFC method to a larger class of material systems.


Keyword(s): phase-field crystal; Poisson's ratio; elasticity; anisotropy; atomistic simulation
DOI: 10.1080/09500839.2012.686173
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