A combined experimental and first-principle study on the oxidation mechanism of super austenitic stainless steel S32654 at 900 °C

Abstract A combined experimental and first-principle study on the oxidation mechanism of super austenitic stainless steel S32654 at 900 °C for a short time period (1, 3, and 5 h) in air is presented. The samples exhibit excellent oxidation resistance because of the initial and gradual formation of t...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Nan Dong, Caili Zhang, Huabing Li, Binbin Zhang, Peide Han
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/fbec071da0bb4aaa9fd5255aabca4bb9
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:fbec071da0bb4aaa9fd5255aabca4bb9
record_format	dspace
spelling	oai:doaj.org-article:fbec071da0bb4aaa9fd5255aabca4bb92021-12-02T11:52:37ZA combined experimental and first-principle study on the oxidation mechanism of super austenitic stainless steel S32654 at 900 °C10.1038/s41598-017-00903-42045-2322https://doaj.org/article/fbec071da0bb4aaa9fd5255aabca4bb92017-04-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-00903-4https://doaj.org/toc/2045-2322Abstract A combined experimental and first-principle study on the oxidation mechanism of super austenitic stainless steel S32654 at 900 °C for a short time period (1, 3, and 5 h) in air is presented. The samples exhibit excellent oxidation resistance because of the initial and gradual formation of the denser Fe- and Cr-rich layer with increasing oxidation time. Meanwhile, the Mo-rich layer gradually forms because of the Mo diffusion, which results in the formation of the oxide layer with two distinct regions: an inner Fe- and Cr-rich layer and an outer Mo-rich layer. Density functional theory is applied to investigate the diffusion behaviour of Mo atom in the Fe-Cr-Ni/Cr2O3 interface and the effects of alloying elements (Fe, Ni, and Mn) on the Mo diffusion. The Mo originating from the alloy matrix tends to diffuse into the Cr2O3 part, thereby resulting in the formation of the continuous Mo-rich layer, which is consistent with the experimental behaviour. Moreover, the introduction of Ni to the Cr2O3 part can promote the Mo diffusion and the formation of the Mo-rich oxide layer, whereas Fe and Mn can hinder the Mo diffusion. The calculated results provide a microcosmic explanation of the experimental results.Nan DongCaili ZhangHuabing LiBinbin ZhangPeide HanNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-10 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Nan Dong Caili Zhang Huabing Li Binbin Zhang Peide Han A combined experimental and first-principle study on the oxidation mechanism of super austenitic stainless steel S32654 at 900 °C
description	Abstract A combined experimental and first-principle study on the oxidation mechanism of super austenitic stainless steel S32654 at 900 °C for a short time period (1, 3, and 5 h) in air is presented. The samples exhibit excellent oxidation resistance because of the initial and gradual formation of the denser Fe- and Cr-rich layer with increasing oxidation time. Meanwhile, the Mo-rich layer gradually forms because of the Mo diffusion, which results in the formation of the oxide layer with two distinct regions: an inner Fe- and Cr-rich layer and an outer Mo-rich layer. Density functional theory is applied to investigate the diffusion behaviour of Mo atom in the Fe-Cr-Ni/Cr2O3 interface and the effects of alloying elements (Fe, Ni, and Mn) on the Mo diffusion. The Mo originating from the alloy matrix tends to diffuse into the Cr2O3 part, thereby resulting in the formation of the continuous Mo-rich layer, which is consistent with the experimental behaviour. Moreover, the introduction of Ni to the Cr2O3 part can promote the Mo diffusion and the formation of the Mo-rich oxide layer, whereas Fe and Mn can hinder the Mo diffusion. The calculated results provide a microcosmic explanation of the experimental results.
format	article
author	Nan Dong Caili Zhang Huabing Li Binbin Zhang Peide Han
author_facet	Nan Dong Caili Zhang Huabing Li Binbin Zhang Peide Han
author_sort	Nan Dong
title	A combined experimental and first-principle study on the oxidation mechanism of super austenitic stainless steel S32654 at 900 °C
title_short	A combined experimental and first-principle study on the oxidation mechanism of super austenitic stainless steel S32654 at 900 °C
title_full	A combined experimental and first-principle study on the oxidation mechanism of super austenitic stainless steel S32654 at 900 °C
title_fullStr	A combined experimental and first-principle study on the oxidation mechanism of super austenitic stainless steel S32654 at 900 °C
title_full_unstemmed	A combined experimental and first-principle study on the oxidation mechanism of super austenitic stainless steel S32654 at 900 °C
title_sort	combined experimental and first-principle study on the oxidation mechanism of super austenitic stainless steel s32654 at 900 °c
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/fbec071da0bb4aaa9fd5255aabca4bb9
work_keys_str_mv	AT nandong acombinedexperimentalandfirstprinciplestudyontheoxidationmechanismofsuperausteniticstainlesssteels32654at900c AT cailizhang acombinedexperimentalandfirstprinciplestudyontheoxidationmechanismofsuperausteniticstainlesssteels32654at900c AT huabingli acombinedexperimentalandfirstprinciplestudyontheoxidationmechanismofsuperausteniticstainlesssteels32654at900c AT binbinzhang acombinedexperimentalandfirstprinciplestudyontheoxidationmechanismofsuperausteniticstainlesssteels32654at900c AT peidehan acombinedexperimentalandfirstprinciplestudyontheoxidationmechanismofsuperausteniticstainlesssteels32654at900c AT nandong combinedexperimentalandfirstprinciplestudyontheoxidationmechanismofsuperausteniticstainlesssteels32654at900c AT cailizhang combinedexperimentalandfirstprinciplestudyontheoxidationmechanismofsuperausteniticstainlesssteels32654at900c AT huabingli combinedexperimentalandfirstprinciplestudyontheoxidationmechanismofsuperausteniticstainlesssteels32654at900c AT binbinzhang combinedexperimentalandfirstprinciplestudyontheoxidationmechanismofsuperausteniticstainlesssteels32654at900c AT peidehan combinedexperimentalandfirstprinciplestudyontheoxidationmechanismofsuperausteniticstainlesssteels32654at900c
_version_	1718395023453585408

A combined experimental and first-principle study on the oxidation mechanism of super austenitic stainless steel S32654 at 900 °C

Ejemplares similares