Mn含量对Fe-Cu-Mn合金纳米富Cu析出相影响的相场法研究

doi:10.11900/0412.1961.2018.00506

金属学报

2019, Vol. 55

Issue (5): 593-600 DOI: 10.11900/0412.1961.2018.00506

本期目录 | 过刊浏览

Mn含量对Fe-Cu-Mn合金纳米富Cu析出相影响的相场法研究

赵宝军,赵宇宏(

),孙远洋,杨文奎,侯华

1. 中北大学材料科学与工程学院太原 030051

Effect of Mn Composition on the Nanometer Cu-Rich Phase of Fe-Cu-Mn Alloy by Phase Field Method

Baojun ZHAO,Yuhong ZHAO(

),Yuanyang SUN,Wenkui YANG,Hua HOU

1. School of Materials Science and Engineering, North University of China, Taiyuan 030051, China

引用本文:

赵宝军,赵宇宏,孙远洋,杨文奎,侯华. Mn含量对Fe-Cu-Mn合金纳米富Cu析出相影响的相场法研究[J]. 金属学报, 2019, 55(5): 593-600.
Baojun ZHAO, Yuhong ZHAO, Yuanyang SUN, Wenkui YANG, Hua HOU. Effect of Mn Composition on the Nanometer Cu-Rich Phase of Fe-Cu-Mn Alloy by Phase Field Method[J]. Acta Metall Sin, 2019, 55(5): 593-600.

全文: PDF(8374 KB) HTML

摘要:

采用相场法模拟了Fe-Cu-Mn合金在823 K时效时富Cu析出相的三维组织演化图像、体积分数、数量密度和平均颗粒半径随时效时间的变化等。相场模拟研究表明：相分离早期阶段通过失稳分解机制形成富Cu相；同时Mn原子也在富Cu相的中心发生偏聚，在富Cu相开始Ostwald粗化的过程中，Mn原子又从其核心处偏聚到富Cu相和基体的界面处，最终在富Cu相外部形成富Mn环。富Mn环的存在会抑制富Cu相的扩散长大和粗化；富Cu相在时效前期是球状的bcc结构，随着不断长大，转变为椭球形或棒状的fcc结构；提高Mn含量可以加快富Cu相的析出，有利于富Cu相的粗化。

关键词 ： Fe-Cu系合金, 纳米富Cu相, RPV钢, 相场模型, 失稳分解

Abstract：

The precipitation of nanometer Cu-rich phase can be observed in Fe-Cu alloy systems during isothermal ageing. The existence of Cu-rich phase is one of the reasons for the embrittlement of reactor pressure vessel (RPV) steel. The phase-field method applies a set of field variables defined by functions of space and time to describe the temporal evolution of composition and structural parameter, characterizing microstructure evolution during phase transformation. This work uses phase-field model to simulate the three-dimensional morphology, the volume fraction, number density and average particle radius of Cu-rich phase in Fe-Cu-Mn alloy at 823 K. The chemical free energy is derived from the thermodynamic database of the calculated phase diagram (CALPHAD), so the microstructure evolution of precipitation changes are directly corresponded to phase diagram of the real alloy system. The simulation results show that nanometer Cu-rich phase are formed by the spinodal decomposition mechanism in the early stage of phase separation. Meanwhile, Mn atoms segregate to the center of the Cu-rich phase. During the process of Ostwald coarsening, Mn atoms migrate from core to the interface of Cu-rich phase, finally forming Mn-rich ring distributed in the exterior of Cu-rich phase. Its existence can decrease the rates of diffusion growth and coarsening of Cu-rich phase. The Cu-rich phase is bcc structure and disperses in the matrix with spherical shape in the early stage of ageing. As the Cu-rich phase continues to grow, it will transform into fcc structure with ellipsoid or rod shapes. Meanwhile, increasing Mn content of Fe-Cu-Mn alloy accelerates the precipitation of Cu-rich phase and facilitates the growth and coarsening of Cu-rich phase.

Key words： Fe-Cu alloy system nanometer Cu-rich phase RPV steel phase-field simulation spinodal decomposition

收稿日期: 2018-11-07

ZTFLH:

TG292

基金资助:国家自然科学基金项目(U1610123);国家自然科学基金项目(51674226);国家自然科学基金项目(51574206);国家自然科学基金项目(51774254);国家自然科学基金项目(51701187);山西省科技重点项目(MC2016-06)

作者简介: 赵宝军，男，1992年生，硕士生

	服务

	把本文推荐给朋友
	加入引用管理器
	E-mail Alert
	RSS
	作者相关文章
	赵宝军
	赵宇宏
	孙远洋
	杨文奎
	侯华
44.8K

链接本文:

https://www.ams.org.cn/CN/10.11900/0412.1961.2018.00506 或 https://www.ams.org.cn/CN/Y2019/V55/I5/593

Parameter	Value	Unit
$k c$ , $k η$	$k c = 5.0 × 10 - 15, k η = 1.0 × 10 - 15$	J·m²·mol^-1
$V m$	$7.09 × 10 - 6$	m³·mol^-1
T	823	K
Y	$214$	GPa
$L x × L y × L z$	$32 × 32 × 32$	nm³
$S i$	$S C u = 3.29 × 10 - 2$ , $S M n = 5.22 × 10 - 4$
W	$5.0 × 103$	J·mol^-1
$D i 0, φ φ = α, γ$	$D C u 0, α = 4.7 × 10 - 5,$ $D C u 0, γ = 4.3 × 10 - 5$ ， $D M n 0, α = 1.49 × 10 - 4$ , $D M n 0, γ = 1.78 × 10 - 5$	m²·s^-1
$Q i 0, φ φ = α, γ$	$Q C u 0, α = 2.44 × 105$ , $Q C u 0, γ = 2.80 × 105$ ， $Q M n 0, α = 2.33 × 10 - 5$ , $Q M n 0, γ = 2.64 × 105$	J·mol^-1

表1 相场模拟中所使用的参数值[31]

图1 时效温度为823 K时Fe-Cu-Mn合金中Mn含量分别为1%、3%和5%条件下时效不同时间对应的三维富Cu相演化图

图2 时效温度为823 K时Fe-Cu-Mn合金中Mn含量分别为1%、3%和5％条件下时效t*=3000时指定水平直线上对应的Cu和Mn的浓度分布曲线

图3 时效温度为823 K时Fe-Cu-Mn合金中Mn含量分别为1%和5%条件下时效不同时间时指定水平线上对应的Cu析出相的浓度分布曲线

图4 时效温度为823 K时Fe-Cu-Mn合金中Mn含量分别为1%、3%和5%条件下时效不同时间时指定水平线上对应的富Cu相结构序参数

图5 时效温度为823 K时，Fe-Cu-Mn合金中Mn含量分别为1%、3%和5%条件下，纳米富Cu相体积分数随时间的变化

图6 时效温度为823 K时，Fe-Cu-Mn合金中Mn含量分别为1%、3%和5%条件下，纳米富Cu相数量密度随时间的变化

图7 时效温度为823 K时，Fe-Cu-Mn合金中Mn含量分别为1%、3%和5%条件下，纳米富Cu相数量密度随时间的变化

[1]	MillerM K, RussellK F. Embrittlement of RPV steels: An atom probe tomography perspective[J]. J. Nucl. Mater., 2010, 371: 145
[2]	LuZ. Radiator-induced embrittlement and life evaluation of reactor pressure vessels[J].Acta Metall. Sin., 2011, 47: 777
[2]	(吕铮. 核反应堆压力容器的辐照脆化与延寿评估 [J]. 金属学报, 2011, 47: 777)
[3]	ZhangZ W, LiuC T, WangX L, et al. Effects of proton irradiation on nanocluster precipitation in ferritic steel containing fcc alloying additions[J]. Acta Mater., 2012, 60: 3034
[4]	StymanP D, HydeJ M, WilfordK, et al. Precipitation in long term thermally aged high copper, high nickel model RPV steel welds[J]. Prog. Nucl. Energy, 2012, 57: 86
[5]	LambrechtM, MeslinE, MalerbaL, et al. On the correlation between irradiation-induced microstructural features and the hardening of reactor pressure vessel steels[J]. J. Nucl. Mater., 2010, 406: 84
[6]	RadiguetB, PareigeP, BarbuA. Irradiation induced clustering in low copper or copper free ferritic model alloys[J]. Nucl. Instrum. Methods Phys. Res., 2009, 267B: 1496
[7]	LiB Y, ZhangL, LiC L, et al. Finding non-classical critical nuclei and minimum energy path of Cu precipitates in Fe-Cu alloys[J]. Modell. Simul. Mater. Sci. Eng., 2017, 25: 085006
[8]	DeschampsA, MilitzerM, PooleW J. Precipitation kinetics and strengthening of a Fe-0.8wt%Cu alloy[J]. ISIJ Int., 2001, 41: 196
[9]	LiuZ C, LiW X, WangY F, et al. Precipitation of Cu in Fe-1.12Cu alloys[J].Heat Treat. Met., 2005, 30(6): 40
[9]	(刘宗昌, 李文学, 王玉峰等. Fe-1.12Cu合金中Cu的脱溶 [J]. 金属热处理, 2005, 30(6): 40)
[10]	XuG, ChuD F, CaiL L, et al. Investigation on the precipitation and structural evolution of Cu-rich nanophase in RPV model steel[J].Acta Metall. Sin., 2001, 47: 905
[10]	(徐刚, 楚大锋, 蔡琳玲等. RPV模拟钢中纳米富Cu相的析出和结构演化研究 [J]. 金属学报, 2011, 47: 905)
[11]	LiuF, ZhouB X, PengJ C, et al. Characterization of a complex crystal structure within Cu-rich precipitates in RPV model steel[J]. J.Mater. Eng., 2015, 43(7): 80
[12]	LeeT H, KimY O, KimS J. Crystallographic model for bcc-to-9R martensitic transformation of Cu precipitates in ferritic steel[J]. Philos. Mag., 2007, 87: 209
[13]	BlackstockJ J, AcklandG J. Phase transitions of copper precipitates in Fe-Cu alloys[J]. Philos. Mag., 2001, 81A: 2127
[14]	MonzenR, IguchiM, JenkinsM L. Structural changes of 9R copper precipitates in an aged Fe-Cu alloy[J]. Philos. Mag. Lett., 2000, 80: 137
[15]	WenY R, HirataA, ZhangZ W, et al. Microstructure characterization of Cu-rich nanoprecipitates in a Fe-2.5Cu-1.5Mn-4.0Ni-1.0Al multicomponent ferritic alloy[J]. Acta Mater., 2013, 61: 2133
[16]	ShenQ, XiongX Y, LiT, et al. Effects of co-addition of Ni and Al on precipitation evolution and mechanical properties of Fe-Cu alloy[J]. Mater. Sci. Eng., 2018, A723: 279
[17]	MillerM K, WirthB D, OdetteG R. Precipitation in neutron-irradiated Fe-Cu and Fe-Cu-Mn model alloys: A comparison of APT and SANS data[J]. Mater. Sci. Eng., 2003, A353: 133
[18]	GladeS C, WirthB D, OdetteG R, et al. Positron annihilation spectroscopy and small-angle neutron scattering characterization of the effect of Mn on the nanostructural features formed in irradiated Fe-Cu-Mn alloys[J]. Philos. Mag., 2005, 85: 629
[19]	WangX J. Mechanism research of nanaoscale composite precipitates in Fe-Cu-Ni-Al-Mn steel[D]. Shanghai: Shanghai University, 2016
[19]	(王晓姣. Fe-Cu-Ni-Al-Mn钢中强化相复合析出机制的研究 [D]. 上海: 上海大学, 2016)
[20]	MaQ S, JinY C, ZhaoY H, et al. Microscopic phase-field simulation for the influence of interatomic potential on the precipitation process of Ni75Al14Mo11 alloy[J]. Acta Metall. Sin. (Engl. Lett.), 2016, 29: 975
[21]	WangK, ZhaoY H, YangD R, et al. Microscopic phase-field simulation for formation of pre-precipitation for Ni75Al14 Mo11[J]. Rare Met. Mater. Eng., 2015, 44: 939
[22]	ZhaoY H. Simulation for the Materials Microstructure Evolution in Phase Transformation Process[M]. Beijing: National Defend Industry Press, 2010: 12
[22]	(赵宇宏. 材料相变过程微观组织模拟 [M]. 北京: 国防工业出版社, 2010: 12)
[23]	ZhaoY H, HouH. Simulation of dendritic crystal growth of pure Ni using the phase-field model[J]. Rev. Adv. Mater. Sci., 2013, 33: 246
[24]	ZhaoY H. Atomic-Scale computer simulation for alloy during early precipitation process[D]. Xi'an: Northwestern Polytechnical University, 2003
[24]	(赵宇宏. 合金早期沉淀过程的原子尺度计算机模拟 [D]. 西安: 西北工业大学, 2003)
[25]	CahnJ W. On Spinodal decomposition[J]. Acta Metall., 1961, 9: 795
[26]	CahnJ W, HilliardJ E. Free energy of a nonuniform system. I. Iinterfacial free energy[J]. J. Chem. Phys., 1958, 28: 258
[27]	CahnJ W, AllenS M. A microscopic theory for domain wall motion and its experimental verification in Fe-Al alloy domain growth kinetics[J]. J. Phys., 1977, 38: S51
[28]	AllenS M, CahnJ W. A microscopic theory for antiphase boundary motion and its application to antiphase domain coarsening[J]. Acta Metall., 1979, 27: 1085
[29]	KoyamaT, HashimotoK, OnoderaH. Phase-field simulation of phase transformation in Fe-Cu-Mn-Ni quaternary alloy[J]. J. Mater. Trans., 2006, 47: 2765
[30]	KoyamaT, OnoderaH. Phase-field modeling of the microstructure evolutions in Fe-Cu base alloys[J]. Mater. Sci. Forum, 2007, 539-543: 2383
[31]	BuergerM J. A handbook of lattice spacings and structures of metals and alloys[J]. Z. Kristallogr., 1961, 115: 319
[32]	DinsdaleA T. SGTE data for pure elements[J]. Calphad, 1991, 15: 317
[33]	WuX C. Precipitation kinetics in Ni-Al alloys using phase field simulation[D]. Nanjing: Nanjing University of Science & Technology, 2016
[33]	(吴兴超. Ni-Al合金沉淀动力学的相场法研究 [D]. 南京: 南京理工大学, 2016)
[34]	MiettinenJ. Thermodynamic description of the Cu-Mn-Ni system at the Cu-Ni side[J]. Calphad, 2003, 27: 147

[1]	孙正阳, 杨超, 柳文波. UO₂烧结过程的相场模拟[J]. 金属学报, 2020, 56(9): 1295-1303.
[2]	张天慈, 王海涛, 李正操, SCHUT Henk, 张征明, 贺铭, 孙玉良. 国产RPV钢铁离子辐照脆化行为的正电子湮灭研究[J]. 金属学报, 2018, 54(4): 512-518.
[3]	高英俊, 卢昱江, 孔令一, 邓芊芊, 黄礼琳, 罗志荣. 晶体相场模型及其在材料微结构演化中的应用[J]. 金属学报, 2018, 54(2): 278-292.
[4]	卢艳丽,卢广明,胡婷婷,杨涛,陈铮. 晶体相场法研究Kirkendall效应诱发的相界空洞的形成和演变^*[J]. 金属学报, 2015, 51(7): 866-872.
[5]	高英俊, 周文权, 邓芊芊, 罗志荣, 林葵, 黄创高. 晶体相场方法模拟高温应变作用的预熔化晶界的位错运动^*[J]. 金属学报, 2014, 50(7): 886-896.
[6]	高英俊, 卢成健, 黄礼琳, 罗志荣, 黄创高. 晶界位错运动与位错反应过程的晶体相场模拟^*[J]. 金属学报, 2014, 50(1): 110-120.
[7]	吴艳,宗亚平,张宪刚. 纳米晶AZ31镁合金显微组织演变的相场法模拟研究[J]. 金属学报, 2013, 49(7): 789-796.
[8]	韩国民,韩志强,Alan A. Luo,Anil K. Sachdev,柳百成. Mg-Al合金Mg₁₇Al₁₂连续析出相形貌的相场模拟[J]. 金属学报, 2013, 49(3): 277-283.
[9]	刘明治张瑞杰方伟章书周曲选辉. 相场法模拟两相多孔组织烧结[J]. 金属学报, 2012, 48(10): 1207-1214.
[10]	高英俊罗志荣黄礼琳胡项英. 变形合金的亚晶组织演化的相场模型[J]. 金属学报, 2012, 48(10): 1215-1222.
[11]	徐刚楚大锋蔡琳玲周邦新王伟彭剑超. RPV模拟钢中纳米富Cu相的析出和结构演化研究[J]. 金属学报, 2011, 47(7): 905-911.
[12]	杨涛陈铮董卫平. 应力诱发双位错组亚晶界湮没的晶体相场模拟[J]. 金属学报, 2011, 47(10): 1301-1306.
[13]	高英俊罗志荣胡项英黄创高. 相场方法模拟AZ31镁合金的静态再结晶过程[J]. 金属学报, 2010, 46(10): 1161-1172.
[14]	赵达文李金富. 相场法模拟动力学各向异性对过冷熔体中晶体生长的影响[J]. 金属学报, 2009, 45(10): 1237-1241.
[15]	李新中; 苏彦庆; 郭景杰; 吴士平; 傅恒志 . 定向凝固包晶相变微观组织演化的相场方法研究 I.三相交节点的延伸[J]. 金属学报, 2006, 42(6): 599-605 .

Viewed

Full text

Abstract

Cited

Shared

Discussed