Atomic scale mechanism of the transformation of γ-alumina to θ-alumina

Shu Hui Cai, Sergey Rashkeev, Sokrates T. Pantelides, Karl Sohlberg

Research output: Contribution to journalArticle

36 Citations (Scopus)

Abstract

A theoretical study of the atomic scale mechanism of the phase transition from γ- to θ-alumina was performed. Although the unit cell of cubic γ-alumina looked quite different from that of monoclinic θ-alumina, both of them were described by cells containing Al16O24 that are very similar. When some of the Al atoms in γ-alumina moved to specific sites, a structure that is a close approximant of the θ-alumina structure formed.

Original languageEnglish
JournalPhysical Review Letters
Volume89
Issue number23
Publication statusPublished - 2 Dec 2002
Externally publishedYes

Fingerprint

Aluminum Oxide
aluminum oxides
Phase Transition
cells
Theoretical Models
atoms

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Atomic scale mechanism of the transformation of γ-alumina to θ-alumina. / Cai, Shu Hui; Rashkeev, Sergey; Pantelides, Sokrates T.; Sohlberg, Karl.

In: Physical Review Letters, Vol. 89, No. 23, 02.12.2002.

Research output: Contribution to journalArticle

Cai, Shu Hui ; Rashkeev, Sergey ; Pantelides, Sokrates T. ; Sohlberg, Karl. / Atomic scale mechanism of the transformation of γ-alumina to θ-alumina. In: Physical Review Letters. 2002 ; Vol. 89, No. 23.
@article{5d37a4456582497d8868c4d7f9d49349,
title = "Atomic scale mechanism of the transformation of γ-alumina to θ-alumina",
abstract = "A theoretical study of the atomic scale mechanism of the phase transition from γ- to θ-alumina was performed. Although the unit cell of cubic γ-alumina looked quite different from that of monoclinic θ-alumina, both of them were described by cells containing Al16O24 that are very similar. When some of the Al atoms in γ-alumina moved to specific sites, a structure that is a close approximant of the θ-alumina structure formed.",
author = "Cai, {Shu Hui} and Sergey Rashkeev and Pantelides, {Sokrates T.} and Karl Sohlberg",
year = "2002",
month = "12",
day = "2",
language = "English",
volume = "89",
journal = "Physical Review Letters",
issn = "0031-9007",
publisher = "American Physical Society",
number = "23",

}

TY - JOUR

T1 - Atomic scale mechanism of the transformation of γ-alumina to θ-alumina

AU - Cai, Shu Hui

AU - Rashkeev, Sergey

AU - Pantelides, Sokrates T.

AU - Sohlberg, Karl

PY - 2002/12/2

Y1 - 2002/12/2

N2 - A theoretical study of the atomic scale mechanism of the phase transition from γ- to θ-alumina was performed. Although the unit cell of cubic γ-alumina looked quite different from that of monoclinic θ-alumina, both of them were described by cells containing Al16O24 that are very similar. When some of the Al atoms in γ-alumina moved to specific sites, a structure that is a close approximant of the θ-alumina structure formed.

AB - A theoretical study of the atomic scale mechanism of the phase transition from γ- to θ-alumina was performed. Although the unit cell of cubic γ-alumina looked quite different from that of monoclinic θ-alumina, both of them were described by cells containing Al16O24 that are very similar. When some of the Al atoms in γ-alumina moved to specific sites, a structure that is a close approximant of the θ-alumina structure formed.

UR - http://www.scopus.com/inward/record.url?scp=0037011707&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0037011707&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0037011707

VL - 89

JO - Physical Review Letters

JF - Physical Review Letters

SN - 0031-9007

IS - 23

ER -