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Stacking fault energy of C-alloyed steels: The effect of magnetism
Lu, Song; Li, Ruihuan; Kadas, Krisztina; Zhang, Hualei; Tian, Yanzhong; Kwon, Se Kyun; Kokko, Kalevi; Hu, Qing-Miao; Hertzman, Staffan; Vitos, Levente; Lu, S; Li, RH (reprint author), Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden.
2017
Source PublicationACTA MATERIALIA
ISSN1359-6454
Volume122Pages:72-81
AbstractFirst-principles calculations have been performed to study the effect of C on the stacking fault energy (SFE) of paramagnetic gamma-Fe and Fe-Cr-Ni austenitic steel. In these systems, the local magnetic structure is very sensitive to the volume in both fcc and hcp structures, which emphasizes the importance of the magnetovolume coupling effect on the SFE. The presence of C atom suppresses the local magnetic moments of Fe atoms in the first coordination shell of C. Compared to the hypothetical nonmagnetic case, paramagnetism significantly reduces the effect of C on the SFE. In the scenario of C being depleted from the stacking fault structure or twin boundaries, e.g., due to elevated temperature, where the chemical effect of C is dissipated, we calculate the C-induced volume expansion effect on the SFE. The volume induced change in the SFE corresponds to more than 50% of the total C effect on the SFE obtained assuming uniform C distribution. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.; First-principles calculations have been performed to study the effect of C on the stacking fault energy (SFE) of paramagnetic gamma-Fe and Fe-Cr-Ni austenitic steel. In these systems, the local magnetic structure is very sensitive to the volume in both fcc and hcp structures, which emphasizes the importance of the magnetovolume coupling effect on the SFE. The presence of C atom suppresses the local magnetic moments of Fe atoms in the first coordination shell of C. Compared to the hypothetical nonmagnetic case, paramagnetism significantly reduces the effect of C on the SFE. In the scenario of C being depleted from the stacking fault structure or twin boundaries, e.g., due to elevated temperature, where the chemical effect of C is dissipated, we calculate the C-induced volume expansion effect on the SFE. The volume induced change in the SFE corresponds to more than 50% of the total C effect on the SFE obtained assuming uniform C distribution. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
description.department[lu, song ; kokko, kalevi] univ turku, dept phys & astron, fi-20014 turku, finland ; [lu, song ; li, ruihuan ; vitos, levente] royal inst technol, dept mat sci & engn, appl mat phys, se-10044 stockholm, sweden ; [li, ruihuan] dalian univ technol, sch phys & optoelect technol, dalian 116024, peoples r china ; [li, ruihuan] dalian univ technol, coll adv sci & technol, dalian 116024, peoples r china ; [kadas, krisztina ; vitos, levente] uppsala univ, div mat theory, dept phys & astron, pob 516, se-751210 uppsala, sweden ; [kadas, krisztina ; vitos, levente] wigner res ctr phys, res inst solid state phys & opt, pob 49, h-1525 budapest, hungary ; [zhang, hualei] xi an jiao tong univ, frontier inst sci & technol, ctr microstruct sci, state key lab mech behav mat, xian 710049, peoples r china ; [tian, yanzhong ; hu, qing-miao] chinese acad sci, inst met res, shenyang natl lab mat sci, 72 wenhua rd, shenyang 110016, peoples r china ; [kwon, se kyun] pohang univ sci & technol, grad inst ferrous technol, pohang 37673, south korea ; [hertzman, staffan ; vitos, levente] avesta res ctr, outokumpu stainless res fdn, se-77422 avesta, sweden
KeywordC-alloyed Steel Stacking Fault Energy Gamma-fe Austenitic Steels First-principles Theory
Subject AreaMaterials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
Funding OrganizationSwedish Research Council; Swedish Foundation for Strategic Research; Swedish Foundation for International Cooperation in Research and Higher Education, Swedens Innovation Agency (VINNOVA); Carl Tryggers Foundation; Hungarian Scientific Research Fund [OTKA 109570]; NSF of China [51271181, 51171187]; Chinese MoST [2014C8644001]; Magnus Ehrnrooth foundation
Indexed BySCI
Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/78383
Collection中国科学院金属研究所
Corresponding AuthorLu, S; Li, RH (reprint author), Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden.
Recommended Citation
GB/T 7714
Lu, Song,Li, Ruihuan,Kadas, Krisztina,et al. Stacking fault energy of C-alloyed steels: The effect of magnetism[J]. ACTA MATERIALIA,2017,122:72-81.
APA Lu, Song.,Li, Ruihuan.,Kadas, Krisztina.,Zhang, Hualei.,Tian, Yanzhong.,...&Li, RH .(2017).Stacking fault energy of C-alloyed steels: The effect of magnetism.ACTA MATERIALIA,122,72-81.
MLA Lu, Song,et al."Stacking fault energy of C-alloyed steels: The effect of magnetism".ACTA MATERIALIA 122(2017):72-81.
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