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Journal Articles Acta Crystallographica Section A : Foundations and Advances [2014-...] Year : 2017

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

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 "-machine description of the faulting mechanics is presented. Several useful analytical expressions such as probability of consecutive symbols in the Hä gg 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.

Domains

Cristallography
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Dates and versions

hal-01710113 , version 1 (15-02-2018)

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Ernesto Estevez-Rams, Raimundo Lora-Serrano, Arbelio Penton-Madrigal, Massimo Nespolo. Extrinsic faulting in 3 C close-packed crystal structures: computational mechanics analysis. Acta Crystallographica Section A : Foundations and Advances [2014-..], 2017, 73 (6), pp.449 - 459. ⟨10.1107/S2053273317013134⟩. ⟨hal-01710113⟩
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