Stacking fault energy of C-alloyed steels: The effect of magnetism

IMR OpenIR

	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
发表期刊	ACTA MATERIALIA
ISSN	1359-6454
卷号	122 页码:72-81
摘要	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.; 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.
部门归属	[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
关键词	C-alloyed Steel Stacking Fault Energy Gamma-fe Austenitic Steels First-principles Theory
学科领域	Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
资助者	Swedish 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
收录类别	SCI
语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/78383
专题	中国科学院金属研究所
通讯作者	Lu, S; Li, RH (reprint author), Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden.
推荐引用方式 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.