Integration of CALPHAD calculations and nanoindentation test for the design of low-modulus near-β titanium

Abstract

The elastic modulus of titanium is greatly influenced by the stability of the β-phase. Metastable β or near-β titanium with low β-phase stability and non-toxic elements can often achieve a lower elastic modulus. This study proposed a high efficiency composition design method combining CALPHAD calculations and nanoindentation test to design the Ti-Nb-Zr-Sn-Ta alloy with low modulus. By this method, a near-β titanium Ti-18Nb-8Zr-5Sn-2Ta with low-modulus, high-strength and good plasticity (elastic modulus (58.3±2.0) GPa, tensile strength (813.3±7.2) MPa, elongation (25.3±2.1)%) was developed. The experimental results showed that conventional molybdenum equivalent method overestimates the β-stability of Sn and Zr on titanium alloys, and Nb and Ta are more effective β-stabilizers for Ti-Nb-Zr-Sn-Ta alloy.

Keywords

CALPHAD calculation / nanoindentation test / low modulus / near-β titanium

References

[1] HEAD W C, BAUK D J, EMERSON R H. Titanium as the material of choice for cementless femoral components in total hip arthroplasty [J]. Clinical Orthopaedics and Related Research, 1995(311): 85–90.

[2] NiinomiM, NakaiM, HiedaJ. Development of new metallic alloys for biomedical applications [J]. Acta Biomaterialia, 2012, 8(11): 3888-3903

[3] YangK, WangJ, YangG, et al. . Improved mechanical and wear properties of Ti-35Nb-5Ta-7Zr-xSi alloys fabricated by selective electron beam melting for biomedical application [J]. Journal of Central South University, 2022, 29(12): 3825-3835

[4] DongZ, XiaY, GuoX, et al. . Preparing low-oxygen Ti-6Al-4V alloy powder through direct reduction of oxides and its synergistic reaction mechanism [J]. Journal of Central South University, 2022, 29(6): 1811-1822

[5] XueR, WangD, TianY, et al. . Effect of Sn on elastic modulus and magnetic susceptibility of Zr-16Nb-xTi (x=4 wt%, 6 wt%) alloys [J]. Journal of Central South University, 2023, 30(2): 412-418

[6] HanadaS, MasahashiN, SemboshiS, et al. . Low Young’s modulus of cold groove-rolled β Ti - Nb - Sn alloys for orthopedic applications [J]. Materials Science and Engineering A, 2021, 802: 140645

[7] MengQ, WangK, LiH, et al. . Single crystal shear moduli of β -phase stabilized by thermomechanical treatment in TiNbSn alloys with ultralow elastic modulus [J]. Materials Letters, 2021, 285129103

[8] WuC, LinP H, HuangS Y, et al. . Revisiting alloy design of low-modulus biomedical β -Ti alloys using an artificial neural network [J]. Materialia, 2022, 21101313

[9] BahlS, SuwasS, ChatterjeeK. Comprehensive review on alloy design, processing, and performance of β titanium alloys as biomedical materials [J]. International Materials Reviews, 2021, 66(2): 114-139

[10] ShaoL, DuY, DaiK, et al. . β-Ti alloys for orthopedic and dental applications: A review of progress on improvement of properties through surface modification [J]. Coatings, 2021, 11(12): 1446

[11] HuangH, LiD, ChenC, et al. . Selective laser melted near-beta titanium alloy Ti-5Al-5Mo-5V-1Cr-1Fe: Microstructure and mechanical properties [J]. Journal of Central South University, 2021, 2861601-1614

[12] LiH, CaiQ, LiS, et al. . Effects of Mo equivalent on the phase constituent, microstructure and compressive mechanical properties of Ti-Nb-Mo-Ta alloys prepared by powder metallurgy [J]. Journal of Materials Research and Technology, 2022, 16588-598

[13] HaoY L, LiS J, SunS Y, et al. . Elastic deformation behaviour of Ti-24Nb-4Zr-7.9Sn for biomedical applications [J]. Acta Biomaterialia, 2007, 3(2): 277-286

[14] LiY, LiuS, ZhangG, et al. . Effects of sintering temperature and holding time on microstructure and mechanical properties of Ti-1Al-8V-5Fe prepared by spark plasma sintering [J]. Journal of Central South University, 2021, 28(4): 1183-1194

[15] SunX, ZhangH, WangD, et al. . Large recoverable strain with suitable transition temperature in TiNb-based multicomponent shape memory alloys: First-principles calculations [J]. Acta Materialia, 2021, 221: 117366

[16] WangK, WuD, WangD, et al. . Influence of cooling rate on ω phase precipitation and deformation mechanism of a novel metastable β titanium alloy [J]. Materials Science and Engineering A, 2022, 829142151

[17] WangK, DengZ, TianY, et al. . Effect of cold rolling and solution treatment on β stability and mechanical properties of a metastable β-Ti alloy [J]. Materials Science and Engineering A, 2022, 861144366

[18] RuanJ, XuW, YangT, et al. . Accelerated design of novel W-free high-strength Co-base superalloys with extremely wide γ/γ′ region by machine learning and CALPHAD methods [J]. Acta Materialia, 2020, 186425-433

[19] ZouC, LiJ, WangW Y, et al. . Integrating data mining and machine learning to discover high-strength ductile titanium alloys [J]. Acta Materialia, 2021, 202: 211-221

[20] YangS, LuJ, XingF, et al. . Revisit the VEC rule in high entropy alloys (HEAs) with high-throughput CALPHAD approach and its applications for material design-a case study with Al-Co-Cr-Fe-Ni system [J]. Acta Materialia, 2020, 192: 11-19

[21] LingJ, ChenW, ShengY, et al. . A MGI-oriented investigation of the Young’s modulus and its application to the development of a novel Ti-Nb-Zr-Cr bio-alloy [J]. Materials Science and Engineering C, 2020, 106: 110265

[22] LiangJ S, LiuL B, XuG L, et al. . Compositional screening of Zr-Nb-Mo alloys with CALPHAD-type model for promising bio-medical implants [J]. CALPHAD, 2017, 56196-206

[23] WangX, ZhangL, GuoZ, et al. . Study of low-modulus biomedical β Ti-Nb-Zr alloys based on single-crystal elastic constants modeling [J]. Journal of the Mechanical Behavior of Biomedical Materials, 2016, 62: 310-318

[24] MarkerC, ShangS, ZhaoJ, et al. . Elastic knowledge base of bcc Ti alloys from first-principles calculations and CALPHAD-based modeling [J]. Computational Materials Science, 2017, 140: 121-139

[25] HillR. The elastic behaviour of a crystalline aggregate [J]. Proceedings of the Physical Society Section A, 1952, 65(5): 349-354

[26] WangQ, DongC, LiawP K. Structural stabilities of β-Ti alloys studied using a new Mo equivalent derived from [β/(α + β)] phase-boundary slopes [J]. Metallurgical and Materials Transactions A, 2015, 46(8): 3440-3447

[27] IshiyamaS, HanadaS, IzumiO. Effect of Zr, Sn and Al additions on deformation mode and beta phase stability of metastable beta Ti alloys [J]. ISIJ International, 1991, 31(8): 807-813

[28] OtsukaK, RenX. Recent developments in the research of shape memory alloys [J]. Intermetallics, 1999, 7(5): 511-528

[29] HaoY L, LiS J, SunS Y, et al. . Effect of Zr and Sn on Young’s modulus and superelasticity of Ti-Nb-based alloys [J]. Materials Science and Engineering A, 2006, 441(1–2): 112-118

[30] Abdel-HadyM, FuwaH, HinoshitaK, et al. . Phase stability change with Zr content in β-type Ti-Nb alloys [J]. Scripta Materialia, 2007, 57(11): 1000-1003

[31] ZhangJ, SunF, ChenZ, et al. . Strong and ductile beta Ti-18Zr-13Mo alloy with multimodal twinning [J]. Materials Research Letters, 2019, 7(6): 251-257

[32] MehjabeenA, XuW, QiuD, et al. . Redefining the β -phase stability in Ti-Nb-Zr alloys for alloy design and microstructural prediction [J]. JOM, 2018, 70(10): 2254-2259

[33] WangC H, LiuM, HuP F, et al. . The effects of α″ and ω phases on the superelasticity and shape memory effect of binary Ti-Mo alloys [J]. Journal of Alloys and Compounds, 2017, 720: 488-496

[34] DoganE, KaramanI, ChumlyakovY I, et al. . Microstructure and martensitic transformation characteristics of CoNiGa high temperature shape memory alloys [J]. Acta Materialia, 2011, 59(3): 1168-1183

[35] XuS, HanM, ShenK, et al. . Fatigue properties of binary Ti-Ta metal-metal composite with lamellar microstructure [J]. Journal of Central South University, 2023, 30(9): 2878-2889

[36] XueG, YangH, XingH, et al. . Effect of Ti on microstructure, mechanical properties and corrosion resistance of Zr-Ta-Ti alloys processed by spark plasma sintering [J]. Journal of Central South University, 2020, 27(8): 2185-2197

[37] ZhouL, ShuJ, SunJ, et al. . Effects of tantalum addition on microstructure and properties of titanium alloy fabricated by laser powder bed fusion [J]. Journal of Central South University, 2021, 28(4): 1111-1128

[38] ShiW, LiJ, LiuY, et al. . Experimental study on mechanism of influence of laser energy density on surface quality of Ti-6Al-4V alloy in selective laser melting [J]. Journal of Central South University, 2022, 29(10): 3447-3462