A real-space approach to the analysis of stacking faults in close-packed metals: Modelling and Q-space feedback Longo Alessandro

Antonino Martorana; Francesco Giannici; Luisa Sciortino; Alessandro Longo

A real-space approach to the analysis of stacking faults in close-packed metals: Modelling and Q-space feedback Longo Alessandro

Antonino Martorana, Francesco Giannici, Luisa Sciortino, Alessandro Longo

Fisica e Chimica - Emilio Segrè

Risultato della ricerca: Article

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
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

Structural Biology
Biochemistry
Materials Science(all)
Condensed Matter Physics
Physical and Theoretical Chemistry
Inorganic Chemistry

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Martorana, A., Giannici, F., Sciortino, L., & Longo, A. (2020). A real-space approach to the analysis of stacking faults in close-packed metals: Modelling and Q-space feedback Longo Alessandro. ACTA CRYSTALLOGRAPHICA. SECTION A, FOUNDATIONS AND ADVANCES, 76, 84-91.

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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.",

keywords = "Debye function analysis, close-packed metals, cobalt, pair distribution function, stacking faults, Debye function analysis, close-packed metals, cobalt, pair distribution function, stacking faults",

author = "Antonino Martorana and Francesco Giannici and Luisa Sciortino and Alessandro Longo",

year = "2020",

language = "English",

volume = "76",

pages = "84--91",

journal = "Acta Crystallographica Section A: Foundations and Advances",

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T1 - A real-space approach to the analysis of stacking faults in close-packed metals: Modelling and Q-space feedback Longo Alessandro

AU - Martorana, Antonino

AU - Giannici, Francesco

AU - Sciortino, Luisa

AU - Longo, Alessandro

PY - 2020

Y1 - 2020

N2 - 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.

AB - 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.

KW - Debye function analysis

KW - close-packed metals

KW - cobalt

KW - pair distribution function

KW - stacking faults

KW - Debye function analysis

KW - close-packed metals

KW - cobalt

KW - pair distribution function

KW - stacking faults

UR - http://hdl.handle.net/10447/413570

M3 - Article

VL - 76

SP - 84

EP - 91

JO - Acta Crystallographica Section A: Foundations and Advances

JF - Acta Crystallographica Section A: Foundations and Advances

SN - 2053-2733

ER -