Crystal Plasticity Model of Precipitation Strengthening of CoCrNi-based High-entropy Alloys: Mechanical Properties and Texture Evolution

doi:10.12382/bgxb.2025.0110

Abstract

Abstract:

Based on the Crystal Plasticity Finite Element (CPFEM) framework, a modeling method for describing the mechanical behavior of CoCrNiSi_0.3C_0.048 medium entropy alloy with three-stage precipitated phase structure under dynamic compression was constructed. Under the loading condition of 3000s^-1 strain rate, the effects of different initial textures such as random, Gaussian, rotating Gaussian, cubic, copper, and brass on the stress-strain response were studied. The results show that the random texture and copper texture exhibit higher yield strength and excellent plastic deformation ability under dynamic compression, while the comprehensive performance of the cube texture is relatively poor. At high strain rate, the precipitated phase significantly affects the strengthening effect of the material. Through the comprehensive analysis of yield strength, plastic deformation ability and hardening behavior, the influence of different initial textures on deformation at high strain rate is revealed, which provides a scientific basis for the optimization design and practical application of high entropy alloys containing precipitated phases.

Key words: crystal plastic finite element model, high entropy alloy, precipitation phase, texture, dynamic compression

CLC Number:

TJ05

ZHANG Wenwen, ZHAO Dan, ZHAO Weitao, WANG Qiang, WANG Jianjun, MA Shengguo, ZHANG Tuanwei, WANG Zhihua. Crystal Plasticity Model of Precipitation Strengthening of CoCrNi-based High-entropy Alloys: Mechanical Properties and Texture Evolution[J]. Acta Armamentarii, 2025, 46(10): 250110-.

Figures/Tables 16

Fig.1 Schematic diagram of SHPB

Fig.2 Initial microstructure of CoCrNiSi0.3C0.048 MEA

Fig.3 The rotation from the crystal coordinate system to the sample coordinate system

Fig.4 Boundary conditions of the 3D RVE model

Fig.5 3D RVE microstructure model with 5% volume fraction of precipitated phase

Table 1 CoCrNiSi0.3C0.048 crystal plastic model related parameters

参数	数值	参数	数值
${C}_{11}^{matrix}$/GPa	245	α	0.0008
${C}_{11}^{1}$/GPa	477	${\tau }_{0}^{1}$/MPa	183
m	10	r₂/nm	500
${h}_{0}^{2}$/MPa	51	f₃	0.1
μ₁,μ₂/GPa	299	${C}_{44}^{matrix}$/GPa	142
τ₀/MPa	92.7	${C}_{44}^{1}$/GPa	137
b₂, b₃/nm	0.43	h₀/MPa	51
f₂	0.1	APB₂,APB₃/(J·m^-2)	0.5
${C}_{12}^{matrix}$/GPa	156	β	0.143
${C}_{12}^{1}$/GPa	198	τ_s/MPa	215
${\stackrel{·}{\gamma }}_{0}$/s^-1	0.001	r₃/nm	50
${\tau }_{s}^{1}$/MPa	1150

Fig.6 The dynamic compression experiment of CoCrNiSi0.3C0.048 at $\stackrel{·}{\epsilon }$= 3000s-1 and the mechanical response of CPFEM simulation results

Fig.7 Uniaxial dynamic compression of six typical textures in FCC metal (strain rate 3×103s-1)

Fig.8 Texture evolution of random texture

Fig.9 Texture evolution of copper texture

Fig.10 Texture evolution of Cube texture

Fig.11 Texture evolution of Brass texture

Fig.12 Texture evolution of Goss texture

Fig.13 Texture evolution of Rot.Goss texture

Fig.14 The microstructure distribution of characteristic grains and precipitated phases

Fig.15 Stress-strain of six typical textures of selected single grain in FCC metal under dynamic compression (strain rate 3×103s-1)

References 31

[1]	YEH J W, CHEN S K, LIN S J, et al. Nanostructured high-entropy alloys with multiple principal elements: novel alloy design concepts and outcomes[J]. Advanced Engineering Materials, 2004, 6(5): 299-303. doi: 10.1002/adem.v6:5 URL
[2]	KUMAR D. Recent advances in tribology of high entropy alloys: a critical review[J]. Progress in Materials Science, 2023, 136: 101106. doi: 10.1016/j.pmatsci.2023.101106 URL
[3]	CHUNG H, CHOI W S, JUN H, et al. Doubled strength and ductility via maraging effect and dynamic precipitate transformation in ultrastrong medium-entropy alloy[J]. Nature Communications, 2023, 14(1): 145. doi: 10.1038/s41467-023-35863-z pmid: 36627295
[4]	GAO S, HE X K, TANG Z X, et al. Hot deformation behavior and hot working window of a solid solution strengthened Ni-Cr-Fe-based superalloy[J]. Journal of Materials Research and Technology, 2024, 29: 1377-1389. doi: 10.1016/j.jmrt.2024.01.149 URL
[5]	王伟彤, 陈淑英, 张勇, 等. 高熵合金强韧化方法及力学性能的研究进展[J]. 材料导报, 2021, 35(17): 17043-17050.
	WANG W T, CHEN S Y, ZHANG Y, et al. Research progress of strategies for improving strength-ductility combinations and mechanical properties of high entropy alloys[J]. Materials Reports, 2021, 35(17): 17043-17050. (in Chinese)
[6]	LIU X X, MA S G, WANG J J, et al. Achieving well-balanced strength and ductility via dual nanoscale precipitate structures in Co-free high-entropy alloys[J]. Journal of Materials Research and Technology, 2024, 29: 5539-5549. doi: 10.1016/j.jmrt.2024.03.005 URL
[7]	WEI S Z, ZHU J H, XU L J, et al. Effects of carbon on microstructures and properties of high vanadium high speed steel[J]. Materials & Design, 2006, 27(1): 58-63. doi: 10.1016/j.matdes.2004.09.027 URL
[8]	WU Z, PARISH C M, BEI H. Nano-twin mediated plasticity in carbon-containing FeNiCoCrMn high entropy 12 alloys[J]. Journal of Alloys & Compounds, 2015, 647: 815-822.
[9]	LI N, HE J Y, ZHOU Y H, et al. Strain rate effects on the mechanical responses in Mo-alloyed CoCrNi medium entropy alloys[J]. Materials Science & Engineering A, 2022, 856: 143944.
[10]	WANG Z, HUANG S B, WANG F, et al. Dynamic compression behaviour and microstructure of ZK60 alloy under different strain rates[J]. Materials Science and Technology, 2021, 37(16): 1320-1332. doi: 10.1080/02670836.2021.2003613 URL
[11]	LI Y L, KOHAR C P, MISHRA R K, et al. A new crystal plasticity constitutive model for simulating precipitation-hardenable aluminum alloys[J]. International Journal of Plasticity, 2020, 132: 102759. doi: 10.1016/j.ijplas.2020.102759 URL
[12]	SINGH L, HA S, VOHRA S, et al. A new crystal plasticity model incorporating precipitation strengthening to simulate tensile deformation behavior of AA2024 alloy[J]. Archives of Civil and Mechanical Engineering, 2023, 23(3):155. doi: 10.1007/s43452-023-00696-6
[13]	徐笑, 樊黎霞, 王亚平, 等. 身管精锻过程跨尺度多晶体塑性有限元模拟与织构预测[J]. 兵工学报, 2016, 37(7): 1180-1186. doi: 10.3969/j.issn.1000-1093.2016.07.004
	XU X, FAN L X, WANG Y P, et al. Trans-scale polycrystalline finite element simulation of radial forging process for barrel and prediction of texture[J]. Acta Armamentarii, 2016, 37(7): 1180-1186. (in Chinese) doi: 10.3969/j.issn.1000-1093.2016.07.004
[14]	FERREIRÓS P A, STERIN U A, ALONSO P R, et al. Influence of precipitate and grain sizes on the brittle-to-ductile transition in Fe-Al-V bcc-L21 ferritic superalloys[J]. Materials Science & Engineering A, 2022, 856: 144031.
[15]	王强, 张团卫, 王建军, 等. 高速Taylor冲击下CoCrNiSi_0.3C_0.048中熵合金变形微观结构的演变机制[J]. 固体力学学报, 2023, 44(6): 755-770.
	WANG Q, ZHANG T W, JIAO Z M, et al. Evolution mechanisms of deformed microstructure in CoCrNiSi_0.3C_0.048 medium-entropy alloy under high-velocity taylor impact[J]. Chinese Journal of Solid Mechanics, 2023, 44(6): 755-770. (in Chinese)
[16]	WANG Q, ZHANG T W, JIAO Z M, et al. Hierarchical precipitates facilitate the excellent strength-ductility synergy in a CoCrNi-based medium-entropy alloy[J]. Materials Science & Engineering A, 2023, 873: 145036.
[17]	HUANG Y G. A user-material subroutine incroporating single crystal plasticity in the ABAQUS finite element program[M]. Cambridge, UK: Harvard University, 1991.
[18]	HUTCHINSON J W. Bounds and self-consistent estimates for creep of polycrystalline materials[J]. Proceedings of the Royal Society of London A Mathematical and Physical Sciences, 1976, 348(1652): 101-127. doi: 10.1098/rspa.1976.0027 URL
[19]	EGHTESAD A, KNEZEVIC M. A full-field crystal plasticity model including the effects of precipitates: Application to monotonic, load reversal, and low-cycle fatigue behavior of Inconel 718[J]. Materials Science & Engineering A, 2021, 803: 140478.
[20]	OROWAN E. Problems of plastic gliding[J]. Proceedings of the Physical Society, 1940, 52(1): 8. doi: 10.1088/0959-5309/52/1/303 URL
[21]	张宇恒. 搓捻成形晶体塑性有限元模拟与试验研究[D]. 长春: 吉林大学, 2021.
	ZHANG Y H. Crystal plasticity finite element simulation and experimental research on thread rolling forming[D]. Changchun: Jilin University, 2021. (in Chinese)
[22]	ZHAO W T, WANG Q, ZHAO D, et al. Numerical and experimental investigation of the dynamic mechanical behavior of precipitation-strengthed NiCoCrSi0.3C0.048 medium-entropy alloy[J]. Journal of Materials Research and Technology, 2024, 30: 5826-5841. doi: 10.1016/j.jmrt.2024.04.245 URL
[23]	MORAVCIK I, CIZEK J, KOVACOVA Z, et al. Mechanical and microstructural characterization of powder metallurgy CoCrNi medium entropy alloy[J]. Materials Science & Engineering A, 2017, 701: 370-380.
[24]	LI Y F, GAO Y M, XIAO B, et al. The electronic, mechanical properties and theoretical hardness of chromium carbides by first-principles calculations[J]. Journal of Alloys and Compounds, 2011, 509(17): 5242-5249. doi: 10.1016/j.jallcom.2011.02.009 URL
[25]	SCAFE E, GIUNTA G, FABBRI L, et al. Mechanical behaviour of silicon-silicon carbide composites[J]. Journal of the European Ceramic Society, 1996, 16(7): 703-712. doi: 10.1016/0955-2219(95)00199-9 URL
[26]	SUGAWARA Y, NAKAMORI M, YAO Y Z, et al. Transmission electron microscopy analysis of a threading dislocation with c+a Burgers vector in 4H-SiC[J]. Applied physics express, 2012, 5(8): 081301. doi: 10.1143/APEX.5.081301 URL
[27]	LI X L, HAO X X, JIN C, et al. The determining role of carbon addition on mechanical performance of a non-equiatomic high-entropy alloy[J]. Journal of Materials Science & Technology, 2022, 110: 167-177.
[28]	LI J G, LI Y L, SUO T, et al. Numerical simulations of adiabatic shear localization in textured FCC metal based on crystal plasticity finite element method[J]. Materials Science & Engineering A, 2018, 737: 348-363.
[29]	ZHAO Q, LIU Z Y, LI S S, et al. Evolution of the Brass texture in an Al-Cu-Mg alloy during hot rolling[J]. Journal of Alloys and Compounds, 2017, 691: 786-799. doi: 10.1016/j.jallcom.2016.08.322 URL
[30]	HIRSCH J K. LUCKE. Overview no. 76: mechanism of deformation and development of rolling textures in polycrystalline f.c.c. metals-II. simulation and interpretation of experiments on the basis of Taylor-type theories[J]. Acta Metallurgica, 1988, 36(11): 2883-2904. doi: 10.1016/0001-6160(88)90173-3 URL
[31]	刘彪, 宋新莉, 朱瑞琪, 等. Nb对低温取向硅钢高斯织构演变的影响[J]. 材料热处理学报, 2017, 38 (11): 71-79.
	LIU B, SONG X L, ZHU R Q, et al. Effect of niobium on goss texture evolution of low temperature orientation silicon steel[J]. Transactions of Materials and Heat Treatment, 2017, 38(11): 71-79. (in Chinese)