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.
Lingua originale | English |
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pagine (da-a) | 84-91 |
Numero di pagine | 8 |
Rivista | ACTA CRYSTALLOGRAPHICA. SECTION A, FOUNDATIONS AND ADVANCES |
Volume | 76 |
Stato di pubblicazione | Published - 2020 |
All Science Journal Classification (ASJC) codes
- ???subjectarea.asjc.1300.1315???
- ???subjectarea.asjc.1300.1303???
- ???subjectarea.asjc.2500.2500???
- ???subjectarea.asjc.3100.3104???
- ???subjectarea.asjc.1600.1606???
- ???subjectarea.asjc.1600.1604???