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Computer simulation of a microstructure in a potassium feldspar

Published online by Cambridge University Press:  05 July 2018

I. Tsatskis  and
E. K. H. Salje
I. Tsatskis
Affiliation:
Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge, CB2 3EQ, UK
E. K. H. Salje
Affiliation:
Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge, CB2 3EQ, UK Interdisciplinary Research Centre in Superconductivity, University of Cambridge, Madingley Road, Cambridge CB3 0HE, UK
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Abstract

Kinetics of atomic ordering in a potassium feldspar is simulated using massively parallel computing. The simulation method is based on the Monte Carlo algorithm for the Al-Si redistribution (the Kawasaki dynamics) combined with the lattice relaxation. The Hamiltonian has the symbolic form

where u represents displacements of atoms from ideal positions, and p the Al and Si occupation numbers. The model is purely elastic; there is no direct interaction between Al and Si atoms. The simulated crystal is a thin film with (010) surfaces and consists of 64 × 64 unit cells; the unit cell defined for the whole film contains slightly more than 4 formula units. The (010) orientation is chosen in order to preserve in the film the main structural feature of feldspars: crankshaft-like sheets formed by four-tetrahedra rings. This makes it possible to observe the Pericline twins only. At the late stage of the kinetic run these twins are clearly seen. The direction for the domain walls is determined by the spontaneous strain and changes with the change of the model parameters; considerable local deviations from this direction are observed.

Keywords

feldsparmicrostructurephase transitionkineticsdomains
Type
Research Article
Information
Mineralogical Magazine , Volume 59 , Issue 397 , December 1995 , pp. 623 - 628
Copyright
Copyright © The Mineralogical Society of Great Britain and Ireland 1995

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Footnotes

*

Previous name: I. V. Masanskii

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