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.
|Numero di pagine||8|
|Rivista||ACTA CRYSTALLOGRAPHICA. SECTION A, FOUNDATIONS AND ADVANCES|
|Stato di pubblicazione||Published - 2020|
All Science Journal Classification (ASJC) codes