Combined first principle and experimental study of oxide/alloy interface evolution during hot rolling 430 stainless steels

Abstract

A combined first principle and experimental study of the microstructural characteristics of oxide scales developed on type 430 stainless steel during hot rolling is presented. The oxide layer structures have been investigated by means of SEM, XPS and GDS. The oxide scales were found to have a multilayer structure with Si enrichment at the oxide/matrix interface and were identified as (Fe,Cr)₂O₃/(Fe,Cr)₃O₄/Cr₂O₃, FeO and Si rich region/Fe–Cr stainless steel from the outer to the inner layer. An atomistic model of the Fe–Cr/FeO interface has been generated through first principle methods based on density functional theory. Structural and electronic properties are compared to available experimental data and studied as they evolve across the Fe–Cr/FeO and Fe–Cr (Si)/FeO interface.

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References

Chen

Yuan

WYD

: ‘Review of the high temperature oxidation of iron and carbon steels in air or oxygen’, Oxid. Met., 2003, 59, 433–468.

Luong

Heijkoop

: ‘The influence of scale on friction in hot metal working’, Wear, 1981, 71, 93–102.

Dae

Hyo

Sunghak

Jong

Yong

: ‘Analysis and prevention of sticking occurring hot rolling of ferritic stainless steel’, Mater. Sci. Eng. A, 2009, A507, 66–73.

Teruhisa

Haruo

Katsuhiko

Yueping

Natsuko

Manuel

Harumi

: ‘Effect of grain boundaries on the formation of oxide scale in Fe–Cr alloy for SOFCs’, Solid State Ionics, 2008, 179, 1320–1324.

Capitan

Lefebvre

Traverse

Paul

Odriozola

: ‘Anomalous scattering study of oxide scales formed at 1173 K on surface modified stainless steel’, J. Mater. Chem., 1998, 8, 2293–2298.

Mark

: ‘Surface oxide formation and acid-descaling for stainless steel. Part 1’, Wire Ind., 2001, 68, 503.

Wang

: ‘The alloying mechanisms of Re, Ru in the quaternary Ni-based superalloys γ/γ′ interface: a first principles calculation’, Mater. Sci. Eng. A, 2008, A490, 242–249.

Daisuke

Yoji

: ‘Effects of oxygen vacancy on adhesion of incoherent metal/oxide interface by first-principles calculations’, Surf. Sci., 2010, 604, 196–200.

Verdozzi

Jennison

Schultz

Sears

: ‘Sapphire (0001) surface, clean and with d-metal overlayers’, Phys. Rev. Lett., 1999, 82, 799–802.

10.

Perdew

Burke

Ernzerh

: ‘Generalized gradient approximation made simple’, Phys. Rev. Lett., 1996, 77, (18), 3865–3868.

11.

McCammon

Liu

L.-G

: ‘The effects of pressure and temperature on non-stoichiometric wüstite Fe_xO: the iron-rich phase boundary’, Phys. Chem. Miner., 1984, 10, (3), 106–113.

12.

Jiang

Carter

: ‘Carbon dissolution and diffusion in ferrite and austenite from first principles’, J. Phys. Rev. B, 2003, 67B, (21), 214103–214113.

13.

Nakanishi

Sueoka

Shiba

Fukutani

Hino

Murakamik

: ‘First principles calculation on the stable structure and adhesive strength of Ni/Fe (100) interfaces’, Jpn Inst. Met., 2007, 71, (11), 1024–1031.

14.

Honda

Maruyama

Atake

Saito

: ‘Oxidation behaviour of SUS 430 stainless steel in moist atmospheres at 873 K’, Oxid. Met., 1992, 38, 347–362.

15.

Busa

Yurek

: ‘Effect of alloy grain size and silicon content on the oxidation of austenitic Fe–Cr–Ni–Mn–Si alloys in pure O₂’, Oxid. Met., 1991, 36, 281–315.