Top

Published in:

02-12-2023 | Original Article

Elaborating strengthen mechanism of Pt–Ir solid solution superalloy at finite temperature

Authors: Wei Yu, Xiao-Yu Chong, Yun-Xuan Zhou, Meng-Di Gan, Ying-Xue Liang, Yan Wei, Ai-Min Zhang, Chang-Yi Hu, Xing-Yu Gao, Li Chen, Hai-Feng Song, Jing Feng

Published in: Rare Metals | Issue 3/2024

Activate our intelligent search to find suitable subject content or patents.

search-config

AI-assisted search

Off

Abstract

Pt–Ir alloy is potential superalloys used above 1300 °C because of their high strength and creep resistance. However, the ductility of Pt–Ir alloy has rapidly deteriorated with the increase of Ir, resulting in poor machinability. This work quantitatively evaluated the solid solution strengthening (SSS) and grain refinement strengthening (GRS) of Pt–Ir alloy using first-principles calculations combined with experimental characterization. Here, the stretching force constants in the second nearest neighbor region (SFC^2nd) of pure Ir (193.7 eV·nm⁻²) are 3.40 times that of pure Pt (57.0 eV·nm⁻²), i.e., the interatomic interaction is greatly enhanced with the increase of Ir content, which leads to the decrease of ductility, and modulus misfit plays a dominant role in SSS. Then, the physical mechanisms responsible for the hardness (H_V) of Pt–Ir alloy, using the power-law-scaled function of electron work function coupled SSS and GRS, are attributed to the electron redistribution caused by different Ir content. Furthermore, a thorough assessment of the thermodynamic characteristics of Pt–Ir binary alloy was conducted, culminating in development of a mapping model that effectively relates composition, temperature and strength. The results revealed that the compressive strength increases with the Ir content, and the highest strength was observed in Pt_0.25Ir_0.75. This study provides valuable insights into the Pt–Ir alloy system.

Graphical abstract

previous article Microstructure and magnetocaloric properties of melt-extracted SmGdDyCoAl high-entropy amorphous microwires

next article Two-way shape memory effect in a Ti–Zr–Nb–Ta high-temperature shape memory alloy

Dont have a licence yet? Then find out more about our products and how to get one now:

Springer Professional "Wirtschaft+Technik"

Online-Abonnement

Mit Springer Professional "Wirtschaft+Technik" erhalten Sie Zugriff auf:

über 102.000 Bücher
über 537 Zeitschriften

aus folgenden Fachgebieten:

Automobil + Motoren
Bauwesen + Immobilien
Business IT + Informatik
Elektrotechnik + Elektronik
Energie + Nachhaltigkeit
Finance + Banking
Management + Führung
Marketing + Vertrieb
Maschinenbau + Werkstoffe
Versicherung + Risiko

Jetzt Wissensvorsprung sichern!

inform now

Springer Professional "Technik"

Online-Abonnement

Mit Springer Professional "Technik" erhalten Sie Zugriff auf:

über 67.000 Bücher
über 390 Zeitschriften

aus folgenden Fachgebieten:

Automobil + Motoren
Bauwesen + Immobilien
Business IT + Informatik
Elektrotechnik + Elektronik
Energie + Nachhaltigkeit
Maschinenbau + Werkstoffe

Jetzt Wissensvorsprung sichern!

inform now

Available only for authorised users

[1]

Pollock TM. Alloy design for aircraft engines. Nat Mater. 2016;15(8):809. https://doi.org/10.1038/nmat4709.ADSCrossRefPubMed

[2]

Yin BL, Curtin WA. First-principles-based prediction of yield strength in the RhIrPdPtNiCu high-entropy alloy. Npj Comput Mater. 2019;5:0151. https://doi.org/10.1038/s41524-019-0151-x.CrossRef

[3]

Neuber N, Gross O, Frey M, Bochtler B, Kuball A, Hechler S, Busch R. On the thermodynamics and its connection to structure in the Pt-Pd-Cu-Ni-P bulk metallic glass forming system. Acta Mater. 2021;220:117300. https://doi.org/10.1016/j.actamat.2021.117300.CrossRef

[4]

Li ZB, Xiong K, Jin CC, Sun YJ, Wang BW, Zhang SM, He JJ, Mao Y. Structural, mechanical, thermodynamic and electronic properties of Pt₃M (M = Al Co, Hf, Sc, Y, Zr) compounds under high pressure. Rare Met. 2021;40(5):1208. https://doi.org/10.1007/s12598-020-01656-2.CrossRef

[5]

Zhang SM, Xiong K, Jin CC, Li ZB, He JJ, Mao Y. Stacking fault, dislocation dissociation, and twinning in Pt₃Hf compounds: a DFT study. Rare Met. 2021;40(4):1020. https://doi.org/10.1007/s12598-020-01651-7.CrossRef

[6]

Yang JR, Fang X, Liu Y, Gao ZT, Wen M, Hu R. Microstructure evolution and mechanical properties of a novel γ′ phase-strengthened Ir-W-Al-Th superalloy. Rare Met. 2021;40:3588–97. https://doi.org/10.1007/s12598-020-01682-0.CrossRef

[7]

Tian M, Hu C, Cai H, Li X, Wei Y, He L. A novel ultra-high temperature Pt–Rh alloy with balanced tensile strength and creep resistance achieved by rare-earth intermetallics. Mater Sci Eng: A. 2020;797:139966. https://doi.org/10.1016/j.msea.2020.139966.CrossRef

[8]

He QF, Wang JG, Chen HA, Ding ZY, Zhou ZQ, Xiong LH, Luan JH, Pelletier JM, Qiao JC, Wang Q, Fan LL, Ren Y, Zeng QS, Liu CT, Pao CW, Srolovitz DJ, Yang Y. A highly distorted ultraelastic chemically complex Elinvar alloy. Nature. 2022;602(7896):251. https://doi.org/10.1038/s41586-021-04309-1.ADSCrossRefPubMed

[9]

Sohn SW, Liu YH, Liu JB, Gong P, Prades-Rodel S, Blatter A, Scanley BE, Broadbridge CC, Schroers J. Noble metal high entropy alloys. Scr Mater. 2017;126:29. https://doi.org/10.1016/j.scriptamat.2016.08.017.CrossRef

[10]

Varvenne C, Curtin WA. Predicting yield strengths of noble metal high entropy alloys. Scripta Mater. 2018;142:92–5. https://doi.org/10.1016/j.scriptamat.2017.08.030.CrossRef

[11]

Yan W, Wang Xian Y, Wei GQ, Chong Xiaoyu H, Changyi,. Theory designs and experiment studies of Pt-based solid solution ultrahigh temperature alloy. Chin J Rare Metals. 2022;46(9):1163. https://doi.org/10.13373/j.cnki.cjrm.XY21070025.CrossRef

[12]

Ju SP, Lee IJ, Chen HY. Melting mechanism of Pt-Pd-Rh-Co high entropy alloy nanoparticle: an insight from molecular dynamics simulation. J Alloy Compd. 2021;858:157681. https://doi.org/10.1016/j.jallcom.2020.157681.CrossRef

[13]

Zhou YX, Chong XY, Hu MY, Wei Y, Hu CY, Zhang AM, Feng J. Probing the mechanical properties of ordered and disordered Pt-Ir alloys by first-principles calculations. Phys Lett A. 2021;405:127424. https://doi.org/10.1016/j.physleta.2021.127424.CrossRef

[14]

Yu W, Zhou YX, Chong XY, Wei Y, Hu CY, Zhang AM, Feng J. Investigation on elastic properties and electronic structure of dilute Ir-based alloys by first-principles calculations. J Alloy Compd. 2021;850:156548. https://doi.org/10.1016/j.jallcom.2020.156548.CrossRef

[15]

Zhou Y, Yu W, Chong XY, Wei Y, Hu CY, Zhang AM, Feng J. Rapid screening of alloy elements to improve the elastic properties of dilute Pt-based alloys: high-throughput first-principles calculations and modeling. J Appl Phys. 2020;128(23):235103. https://doi.org/10.1063/5.0029019.ADSCrossRef

[16]

Yu W, Chong XY, Gan MD, Wei Y, Zhang AM, Wang Y, Feng J. Exploring the solution strengthening effect of 33 alloying elements in Pt-based alloys by high-throughput first-principles calculations. J Appl Phys. 2022;131(18):185103. https://doi.org/10.1063/5.0085002.ADSCrossRef

[17]

Scapin M, Peroni L, Torregrosa C, Perillo-Marcone A, Calviani M, Pereira LG, Leaux F, Meyer M. Experimental results and strength model identification of pure iridium. Int J Impact Eng. 2017' 106:191. https://doi.org/10.1016/j.ijimpeng.2017.03.019.

[18]

Mordike BL, Brookes CA. The tensile properties of iridium at high temperatures. Platinum Metals Rev. 1960;4(3):94. https://doi.org/10.1103/PhysRevMaterials.5.063604.CrossRef

[19]

Yamabe-Mitarai Y, Aoki H. Solid-solution hardening of Ir by Pt and Ni. Mater Lett. 2002;56(5):781. https://doi.org/10.1016/S0167-577x(02)00613-4.CrossRef

[20]

Wang WY, Darling KA, Wang Y, Shang SL, Kecskes LJ, Hui XD, Liu ZK. Power law scaled hardness of Mn strengthened nanocrystalline Al-Mn non-equilibrium solid solutions. Scr Mater. 2016;120:31. https://doi.org/10.1016/j.scriptamat.2016.04.003.CrossRef

[21]

Wang WY, Shang SL, Wang Y, Han FB, Darling KA, Wu YD, Xie X, Senkov ON, Li JS, Hui XD, Dahmen KA, Liaw PK, Kecskes LJ, Liu ZK. Atomic and electronic basis for the serrations of refractory high-entropy alloys. Npj Comput Mater. 2017;3:0024. https://doi.org/10.1038/s41524-017-0024-0.ADSCrossRef

[22]

Zou CX, Li JS, Wang WY, Zhang Y, Tang B, Wang H, Lin DY, Wang J, Kou HC, Xu DS. Revealing the local lattice strains and strengthening mechanisms of Ti alloys. Comput Mater Sci. 2018;152:169. https://doi.org/10.1016/j.commatsci.2018.05.028.CrossRef

[23]

Zou CX, Li JS, Wang WY, Zhang Y, Lin DY, Yuan RH, Wang XD, Tang B, Wang J, Gao XY, Kou HC, Hui XD, Zeng XQ, Qian M, Song HF, Liu ZK, Xu DS. Integrating data mining and machine learning to discover high-strength ductile titanium alloys. Acta Mater. 2021;202:211. https://doi.org/10.1016/j.actamat.2020.10.056.ADSCrossRef

[24]

Kresse G, Joubert D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys Rev B. 1999;59(3):1758. https://doi.org/10.1103/PhysRevB.59.1758.ADSCrossRef

[25]

Kresse G, Furthmüller J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput Mater Sci. 1996;6(1):15. https://doi.org/10.1016/0927-0256(96)00008-0.CrossRef

[26]

Blöchl PE. Projector augmented-wave method. Phys Rev B. 1994;50:17953. https://doi.org/10.1103/PhysRevB.50.17953.ADSCrossRef

[27]

Zhang YK, Yang WT. Comment on “Generalized gradient approximation made simple.” Phys Rev Lett. 1998;80(4):890. https://doi.org/10.1103/PhysRevLett.80.890.ADSCrossRef

[28]

van de Walle A. Multicomponent multisublattice alloys, nonconfigurational entropy and other additions to the alloy theoretic automated toolkit. Calphad. 2009;33(2):266. https://doi.org/10.1016/j.calphad.2008.12.005.CrossRef

[29]

van de Walle A, Ceder G. The effect of lattice vibrations on substitutional alloy thermodynamics. Rev Mod Phys. 2002;74(1):11. https://doi.org/10.1103/RevModPhys.74.11.ADSCrossRef

[30]

Wang Y, Chen LQ, Liu ZK. YPHON: a package for calculating phonons of polar materials. Comput Phys Commun. 2014;185(11):2950. https://doi.org/10.1016/j.cpc.2014.06.023.ADSCrossRef

[31]

Chong XY, Palma JPS, Wang Y, Shang SL, Drymiotis F, Ravi VA, Star KE, Fleurial JP, Liu ZK. Thermodynamic properties of the Yb-Sb system predicted from first-principles calculations. Acta Mater. 2021;217:117169. https://doi.org/10.1016/j.actamat.2021.117169.CrossRef

[32]

Shang SL, Wang Y, Kim D, Liu ZK. First-principles thermodynamics from phonon and Debye model: application to Ni and Ni3Al. Comput Mater Sci. 2010;47(4):1040. https://doi.org/10.1016/j.commatsci.2009.12.006.CrossRef

[33]

Tripathi BB, Nand S. Phonon spectrum and Kohn anomaly in platinum. Phys Lett A. 1979;70(3):241. https://doi.org/10.1016/0375-9601(79)90219-6.ADSCrossRef

[34]

Singh N. Theoretical study of structural energy, phonon spectra, and elastic constants of Rh and Ir. Pramana-J Phys. 1999;52(5):511. https://doi.org/10.1007/Bf02830097.ADSCrossRef

[35]

Sun T, Umemoto K, Wu ZQ, Zheng JC, Wentzcovitch RM. Lattice dynamics and thermal equation of state of platinum. Phys Rev B. 2008;78(2):1166. https://doi.org/10.1103/PhysRevB.78.024304.CrossRef

[36]

Menendez-Proupin E, Singh AK. Ab initio calculations of elastic properties of compressed Pt. Phys Rev B. 2007;76(5):054117. https://doi.org/10.1103/PhysRevB.76.054117.ADSCrossRef

[37]

Sekido N, Hoshino A, Fukuzaki M, Maruko T, Yamabe-Mitarai Y. Interdiffusion in the Ir-rich solid solutions of Ir-Pt, Ir-Rh, and Ir-Re binary alloys. J Phase Equilib Diff. 2011;32(3):219. https://doi.org/10.1007/s11669-011-9873-2.CrossRef

[38]

Zhang QW, Wu JJ, Jiang SS, He G. The effect of grain size on the diffusion bonding properties of SP700 alloy. Metals-Basel. 2022;12(2):237. https://doi.org/10.3390/met12020237.CrossRef

[39]

Xiang SK, Cai LC, Bi Y, Jing FQ, Wang SJ. Thermal equation of state for Pt. Phys Rev B. 2005;72(18):184102. https://doi.org/10.1103/PhysRevB.72.184102.ADSCrossRef

[40]

Gong HR. Ideal mechanical strength and interface cohesion property of Ir-base superalloys from first principles calculation. Mater Chem Phys. 2011;126(1–2):284. https://doi.org/10.1016/j.matchemphys.2010.11.025.CrossRef

[41]

Yamabe-Mitarai Y, Maruko T, Miyazawa T, Morino T. Solid solution hardening effect of Ir. Mater Sci Forum. 2005;475–479:703. https://doi.org/10.4028/www.scientific.net/MSF.475-479.703.CrossRef

[42]

Wang MX, Zhu H, Yang GJ, Liu K, Li JF, Kong LT. Solid-solution strengthening effects in binary Ni-based alloys evaluated by high-throughput calculations. Mater Des. 2021;198:109359. https://doi.org/10.1016/j.matdes.2020.109359.CrossRef

[43]

Chen SM, Ma ZJ, Qiu S, Zhang LJ, Zhang SZ, Yang R, Hu QM. Phase decomposition and strengthening in HfNbTaTiZr high entropy alloy from first-principles calculations. Acta Mater. 2022;225:117582. https://doi.org/10.1016/j.actamat.2021.117582.CrossRef

[44]

Collard SM, McLellan RB. High-temperature elastic constants of platinum single crystals. Acta Metall Et Mater. 1992;40(4):699. https://doi.org/10.1016/0956-7151(92)90011-3.CrossRef

[45]

Weast RobertC. CRC handbook of chemistry and physics, Edited. CRC Handbook Chem Phys. 1988. https://doi.org/10.1201/9781315380476.CrossRef

[46]

Man CS, Huang MJ. A simple explicit formula for the voigt-reuss-hill average of elastic polycrystals with arbitrary crystal and texture symmetries. J Elasticity. 2011;105(1–2):29. https://doi.org/10.1007/s10659-011-9312-y.MathSciNetCrossRef

[47]

Rose JH, Shore HB. Bonding energetics of metals: explanation of trends. J Name: Phys Rev, B: Condensed Matter. 1991;43:11605. https://doi.org/10.1103/PhysRevB.43.11605.ADSCrossRef

[48]

Chong XY, Jiang YH, Hu MY, Feng J. Elaborating the phases and mechanical properties of multiphase alloy: experimental two-dimensional mapping combined with theoretical calculations. Mater Charact. 2017;134:347. https://doi.org/10.1016/j.matchar.2017.11.005.CrossRef

[49]

Chong XY, Hu MY, Wu P, Shan Q, Jiang YH, Li ZL, Feng J. Tailoring the anisotropic mechanical properties of hexagonal M₇X₃ (M=Fe, Cr, W, Mo; X=C, B) by multialloying. Acta Mater. 2019;169:193. https://doi.org/10.1016/j.actamat.2019.03.015.ADSCrossRef

[50]

Shang SL, Wang Y, Gleeson B, Liu ZK. Understanding slow-growing alumina scale mediated by reactive elements: perspective via local metal-oxygen bonding strength. Scr Mater. 2018;150:139. https://doi.org/10.1016/j.scriptamat.2018.03.002.CrossRef

[51]

Lee S, Esfarjani K, Luo TF, Zhou JW, Tian ZT, Chen G. Resonant bonding leads to low lattice thermal conductivity. Nat Commun. 2014;5:3525. https://doi.org/10.1038/ncomms4525.

[52]

Labusch R. A statistical theory of solid solution hardening. Phys Status Solidi (b). 1970;41(2):659. https://doi.org/10.1002/pssb.19700410221.ADSCrossRef

[53]

Liu T, Chong XY, Yu W, Zhou YX, Huang HG, Zhou RF, Feng J. Changes of alloying elements on elasticity and solid solution strengthening of α-Ti alloys: a comprehensive high-throughput first-principles calculations. Rare Met. 2022;41(8):2719. https://doi.org/10.1007/s12598-022-01996-1.CrossRef

[54]

Yao G, Wang WY, Li PX, Ren K, Lu JQ, Gao XY, Lin DY, Wang J, Wang YG, Song HF, Liu ZK, Li JS. Electronic structures and strengthening mechanisms of superhard high-entropy diborides. Rare Met. 2023;42(2):614. https://doi.org/10.1007/s12598-022-02152-5.CrossRef

[55]

Hu JQ, Xie M, Zhang JM, Yang YC, Liu MM, Chen YT. Effect of Zr, Mo or Y doping on mechanical and electrical properties of Pt-Ir binary alloys. Rare Metal Mat Eng. 2013;42(2):354. https://doi.org/10.1016/S1875-5372(13)60064-8.CrossRef

[56]

Halas S, Durakiewicz T. Work functions of elements expressed in terms of the Fermi energy and the density of free electrons. J Phys-Condens Mat. 1998;10(48):10815. https://doi.org/10.1088/0953-8984/10/48/005.ADSCrossRef

[57]

Chong XY, Shang SL, Krajewski AM, Shimanek JD, Du WH, Wang Y, Feng J, Shin D, Beese AM, Liu ZK. Correlation analysis of materials properties by machine learning: illustrated with stacking fault energy from first-principles calculations in dilute fcc-based alloys. J Phys-Condens Mat. 2021;33(29):295702. https://doi.org/10.1088/1361-648X/ac0195.CrossRef

[58]

Chen XQ, Niu HY, Li DZ, Li YY. Modeling hardness of polycrystalline materials and bulk metallic glasses. Intermetallics. 2011;19(9):1275. https://doi.org/10.1016/j.intermet.2011.03.026.CrossRef

[59]

Tseng SF, Lee CT, Huang KC, Chiang DY, Huang CY, Chou CP. Mechanical properties of Pt-Ir and Ni-Ir binary alloys for glass-molding dies coating. J Nanosci Nanotechno. 2011;11(10):8682. https://doi.org/10.1166/jnn.2011.3502.CrossRef

[60]

Yao X, Mao Y, Guo YF. First-principles study of the alloying effects on the structural stability and mechanical properties of L1(2)-Pt₃Hf. J Alloy Compd. 2022;891:161982. https://doi.org/10.1016/j.jallcom.2021.161982.

[61]

Kim D, Shang SL, Liu ZK. Effects of alloying elements on thermal expansions of gamma-Ni and gamma ’-Ni₃Al by first-principles calculations. Acta Mater. 2012;60(4):1846. https://doi.org/10.1016/j.actamat.2011.12.005.ADSCrossRef

[62]

Wei ZY, Hu KM, Sa BS, Wu B. Pressure-induced structure, electronic, thermodynamic and mechanical properties of Ti 2 AlNb orthorhombic phase by first-principles calculations. Rare Met. 2021;40:1. https://doi.org/10.1007/s12598-017-0915-8.CrossRef

[63]

Kou HB, Li WG, Ma JZ, Shao JX, Tao Y, Zhang XY, Geng PJ, Deng Y, Li Y, Zhang XH, Peng FL. Theoretical prediction of the temperature-dependent yield strength of solid solution strengthening Nickel-based alloys. Int J Mech Sci. 2018;140:83. https://doi.org/10.1016/j.ijmecsci.2018.02.042.CrossRef

Title: Elaborating strengthen mechanism of Pt–Ir solid solution superalloy at finite temperature
Authors: Wei Yu
Xiao-Yu Chong
Yun-Xuan Zhou
Meng-Di Gan
Ying-Xue Liang
Yan Wei
Ai-Min Zhang
Chang-Yi Hu
Xing-Yu Gao
Li Chen
Hai-Feng Song
Jing Feng
Publication date: 02-12-2023
Publisher: Nonferrous Metals Society of China
Published in: Rare Metals / Issue 3/2024
Print ISSN: 1001-0521
Electronic ISSN: 1867-7185
DOI: https://doi.org/10.1007/s12598-023-02482-y

Springer Professional

Abstract

Graphical abstract

Please log in to get access to your license.

Dont have a licence yet? Then find out more about our products and how to get one now:

Springer Professional "Wirtschaft+Technik"

Springer Professional "Technik"

Other articles of this Issue 3/2024

Charge regulation by ferromagnetic metal/LiF spin-polarized interface for high-performance Li metal anodes

MOF-derived Cu embedded into N-doped mesoporous carbon as a robust support of PdAu nanocatalysts for ethanol electrooxidation

Tumor microenvironment-responsive arsenic-loaded layered double hydroxides film with synergistic anticancer and bactericidal activity

Electronic structure regulation and built-in electric field synergistically strengthen photocatalytic nitrogen fixation performance on Ti-BiOBr/TiO2 heterostructure

Engineering high-performance dielectric chiral shells with enhanced chiral fields for sensitive chiral biosensor

Enhanced photothermal dehydration of methanol over W18O49/Au/SAPO-34 catalysts with broadened light absorption

Premium Partners