A real‐space approach to the analysis of stacking faults in close‐packed metals: G(r) modelling and Q‐space feedback. Issue 1 (9th December 2019)

• Record Type: Journal Article
• Authors: Longo, Alessandro; Giannici, Francesco; Sciortino, Luisa; Martorana, Antonino
• Is Part Of: Acta crystallographica. Volume 76:Issue 1(2020:Jan.)
• Page Start: 84
• Page End: 91
• Publication Date: 2019-12-09
• Subjects: stacking faults -- pair distribution function -- Debye function analysis -- close‐packed metals -- cobalt; Crystallography -- Periodicals; Condensed matter -- Periodicals; 548
• DOI: 10.1107/S2053273319014578
• Languages: English
• ISSNs: 2053-2733

Abstract

Abstract : A comprehensive direct‐space analysis of structural disorder in close‐packed metals by simulation of the pair distribution function pattern is described and tested in the case of bulk or nanosized particles. Abstract : An R ‐space approach to the simulation and fitting of a structural model to the experimental pair distribution function is described, to investigate the structural disorder (distance distribution and stacking faults) in close‐packed metals. This is carried out by transferring the Debye function analysis into R space and simulating the low‐angle and high‐angle truncation for the evaluation of the relevant Fourier transform. The strengths and weaknesses of the R ‐space approach with respect to the usual Q ‐space approach are discussed.