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Extrinsic faulting in 3 C close-packed crystal structures: computational mechanics analysis.

Authors :
Estevez-Rams, Ernesto
Lora-Serrano, Raimundo
Penton-Madrigal, Arbelio
Nespolo, Massimo
Source :
Acta Crystallographica. Section A, Foundations & Advances; Nov2017, Vol. 73 Issue 6, p449-459, 10p
Publication Year :
2017

Abstract

Extrinsic faulting has been discussed previously within the so-called difference method and random walk calculation. In this contribution it is revisited under the framework of computational mechanics, which allows expressions to be derived for the statistical complexity, entropy density and excess entropy as a function of faulting probability. The approach allows one to compare the disordering process of an extrinsic fault with other faulting types. The ϵ-machine description of the faulting mechanics is presented. Several useful analytical expressions such as probability of consecutive symbols in the Hägg coding are presented, as well as hexagonality. The analytical expression for the pairwise correlation function of the layers is derived and compared with results previously reported. The effect of faulting on the interference function is discussed in relation to the diffraction pattern. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
20532733
Volume :
73
Issue :
6
Database :
Complementary Index
Journal :
Acta Crystallographica. Section A, Foundations & Advances
Publication Type :
Academic Journal
Accession number :
126244868
Full Text :
https://doi.org/10.1107/S2053273317013134