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RESEARCH PRODUCT
A real-space approach to the analysis of stacking faults in close-packed metals: G(r) modelling and Q-space feedback
Francesco GianniciLuisa SciortinoAntonino MartoranaAlessandro Longosubject
PhysicsTruncationMathematical analysisStackingPair distribution functionCondensed Matter PhysicsSpace (mathematics)BiochemistryInorganic Chemistrysymbols.namesakeFourier transformDistribution (mathematics)Structural BiologysymbolsGeneral Materials ScienceDebye functionPhysical and Theoretical Chemistrydescription
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.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2019-05-28 | Acta Crystallographica Section A Foundations and Advances |