A computer simulation approach for the calculation of diffuse intensity distributions from crystals undergoing the 2H to 6H transformation by layer displacement mechanism

Kabra, V. K. ; Pandey, D. (1995) A computer simulation approach for the calculation of diffuse intensity distributions from crystals undergoing the 2H to 6H transformation by layer displacement mechanism Acta Crystallographica Section A, A51 (3). pp. 329-335. ISSN 0108-7673

Full text not available from this repository.

Official URL: http://scripts.iucr.org/cgi-bin/paper?vj0003

Related URL: http://dx.doi.org/10.1107/S0108767394011517

Abstract

Limitations of the Markovian chain approach for the calculation of diffuse intensity distributions from crystals undergoing the 2H to 6H transformation by non-random insertion of layer displacement faults are pointed out. A computer simulation approach for the numerical computation of the diffuse intensity disributions in such situations is presented. The numerically computed intensity distributions along diffuse streaks, obtained by taking Fourier transforms of the pair correlations determined from simulated configuration corresponding to the intermediate states of transformation, show marked departures from those obtained analytically using the Markovian chain approach. Explanations for this discrepancy are advanced.

Item Type:Article
Source:Copyright of this article belongs to International Union of Crystallography.
ID Code:88755
Deposited On:29 Mar 2012 14:37
Last Modified:29 Mar 2012 14:37

Repository Staff Only: item control page