High-temperature oxidation mechanisms of nano-/submicro-scale lamellar structures in an intermetallic alloy

G. D. Wu; G. R. Cui; S. J. Qu; A. H. Feng; G. J. Cao; B. H. Ge; H. P. Xiang; J. Shen; D. L. Chen

doi:10.1016/j.scriptamat.2019.06.028

High-temperature oxidation mechanisms of nano-/submicro-scale lamellar structures in an intermetallic alloy

G. D. Wu
, G. R. Cui
, S. J. Qu^*
, A. H. Feng
, G. J. Cao
, B. H. Ge
, H. P. Xiang
, J. Shen
, D. L. Chen

^*Corresponding author for this work

Tongji University
Harbin Institute of Technology
Harbin University of Science and Technology
CAS - Institute of Physics
Institutes of Physical Science and Information Technology, Anhui University
Shenzhen University
Toronto Metropolitan University

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

Abstract

The aim of this study was to elucidate the oxidation mechanisms of γ-TiAl/α₂-Ti₃Al lamellar structures in a TiAlNbCr intermetallic alloy at a high temperature. The original γ-TiAl/α₂-Ti₃Al lamellae in the alloy were transformed into H-Ti₂AlN/α₂-Ti₃Al lamellae, and κ-Al₂O₃, α-Al₂O₃ and some remaining γ-TiAl phases were observed to be co-existent. The first-principles calculations of density-functional type based on the generalized-gradient approximation revealed that the metastable κ-Al₂O₃ can be converted into the stable α-Al₂O₃. TiN and Ti₂AlN could be converted into each other to form κ-Al₂O₃ under specific conditions. Thus the oxidation path of the intermetallic alloy is established as follows: γ − TiAl → (H − Ti₂AlN, TiN) → κ − Al₂O₃ → α − Al₂O₃.

Original language	English
Pages (from-to)	102-107
Number of pages	6
Journal	Scripta Materialia
Volume	171
DOIs	https://doi.org/10.1016/j.scriptamat.2019.06.028
State	Published - Oct 2019
Externally published	Yes

Keywords

First-principles calculation
Oxidation
α-AlO
γ-TiAl/α-TiAl lamellae
κ-AlO

Access to Document

10.1016/j.scriptamat.2019.06.028

Cite this

@article{52cec4796b6641da918e9ca41f5df4fa,

title = "High-temperature oxidation mechanisms of nano-/submicro-scale lamellar structures in an intermetallic alloy",

abstract = "The aim of this study was to elucidate the oxidation mechanisms of γ-TiAl/α2-Ti3Al lamellar structures in a TiAlNbCr intermetallic alloy at a high temperature. The original γ-TiAl/α2-Ti3Al lamellae in the alloy were transformed into H-Ti2AlN/α2-Ti3Al lamellae, and κ-Al2O3, α-Al2O3 and some remaining γ-TiAl phases were observed to be co-existent. The first-principles calculations of density-functional type based on the generalized-gradient approximation revealed that the metastable κ-Al2O3 can be converted into the stable α-Al2O3. TiN and Ti2AlN could be converted into each other to form κ-Al2O3 under specific conditions. Thus the oxidation path of the intermetallic alloy is established as follows: γ − TiAl → (H − Ti2AlN, TiN) → κ − Al2O3 → α − Al2O3.",

keywords = "First-principles calculation, Oxidation, α-AlO, γ-TiAl/α-TiAl lamellae, κ-AlO",

author = "Wu, \{G. D.\} and Cui, \{G. R.\} and Qu, \{S. J.\} and Feng, \{A. H.\} and Cao, \{G. J.\} and Ge, \{B. H.\} and Xiang, \{H. P.\} and J. Shen and Chen, \{D. L.\}",

note = "Publisher Copyright: {\textcopyright} 2019 Elsevier Ltd",

year = "2019",

month = oct,

doi = "10.1016/j.scriptamat.2019.06.028",

language = "英语",

volume = "171",

pages = "102--107",

journal = "Scripta Materialia",

issn = "1359-6462",

publisher = "Acta Materialia Inc",

}

TY - JOUR

T1 - High-temperature oxidation mechanisms of nano-/submicro-scale lamellar structures in an intermetallic alloy

AU - Wu, G. D.

AU - Cui, G. R.

AU - Qu, S. J.

AU - Feng, A. H.

AU - Cao, G. J.

AU - Ge, B. H.

AU - Xiang, H. P.

AU - Shen, J.

AU - Chen, D. L.

PY - 2019/10

Y1 - 2019/10

N2 - The aim of this study was to elucidate the oxidation mechanisms of γ-TiAl/α2-Ti3Al lamellar structures in a TiAlNbCr intermetallic alloy at a high temperature. The original γ-TiAl/α2-Ti3Al lamellae in the alloy were transformed into H-Ti2AlN/α2-Ti3Al lamellae, and κ-Al2O3, α-Al2O3 and some remaining γ-TiAl phases were observed to be co-existent. The first-principles calculations of density-functional type based on the generalized-gradient approximation revealed that the metastable κ-Al2O3 can be converted into the stable α-Al2O3. TiN and Ti2AlN could be converted into each other to form κ-Al2O3 under specific conditions. Thus the oxidation path of the intermetallic alloy is established as follows: γ − TiAl → (H − Ti2AlN, TiN) → κ − Al2O3 → α − Al2O3.

AB - The aim of this study was to elucidate the oxidation mechanisms of γ-TiAl/α2-Ti3Al lamellar structures in a TiAlNbCr intermetallic alloy at a high temperature. The original γ-TiAl/α2-Ti3Al lamellae in the alloy were transformed into H-Ti2AlN/α2-Ti3Al lamellae, and κ-Al2O3, α-Al2O3 and some remaining γ-TiAl phases were observed to be co-existent. The first-principles calculations of density-functional type based on the generalized-gradient approximation revealed that the metastable κ-Al2O3 can be converted into the stable α-Al2O3. TiN and Ti2AlN could be converted into each other to form κ-Al2O3 under specific conditions. Thus the oxidation path of the intermetallic alloy is established as follows: γ − TiAl → (H − Ti2AlN, TiN) → κ − Al2O3 → α − Al2O3.

KW - First-principles calculation

KW - Oxidation

KW - α-AlO

KW - γ-TiAl/α-TiAl lamellae

KW - κ-AlO

UR - https://www.scopus.com/pages/publications/85068173174

U2 - 10.1016/j.scriptamat.2019.06.028

DO - 10.1016/j.scriptamat.2019.06.028

M3 - 文章

AN - SCOPUS:85068173174

SN - 1359-6462

VL - 171

SP - 102

EP - 107

JO - Scripta Materialia

JF - Scripta Materialia

ER -

High-temperature oxidation mechanisms of nano-/submicro-scale lamellar structures in an intermetallic alloy

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this