Kink bands promote exceptional fracture resistance in a NbTaTiHf refractory medium-entropy alloy

Cook, David H.; Kumar, Punit; Payne, Madelyn I.; Belcher, Calvin H.; Borges, Pedro; Wang, Wenqing; Walsh, Flynn; Li, Zehao; Devaraj, Arun; Zhang, Mingwei; Asta, Mark; Minor, Andrew M.; Lavernia, Enrique J.; Apelian, Diran; Ritchie, Robert O.

doi:10.1126/science.adn2428

Kink bands promote exceptional fracture resistance in a NbTaTiHf refractory medium-entropy alloy

Journal Article · Fri Apr 12 00:00:00 EDT 2024 · Science

DOI:https://doi.org/10.1126/science.adn2428· OSTI ID:2479095

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University of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Univ. of California, Irvine, CA (United States)
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). Molecular Foundry
University of California, Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). Molecular Foundry

Single-phase body-centered cubic (bcc) refractory medium- or high-entropy alloys can retain compressive strength at elevated temperatures but suffer from extremely low tensile ductility and fracture toughness. We examined the strength and fracture toughness of a bcc refractory alloy, NbTaTiHf, from 77 to 1473 kelvin. This alloy’s behavior differed from that of comparable systems by having fracture toughness over 253 MPa·m^1/2, which we attribute to a dynamic competition between screw and edge dislocations in controlling the plasticity at a crack tip. Whereas the glide and intersection of screw and mixed dislocations promotes strain hardening controlling uniform deformation, the coordinated slip of <111> edge dislocations with {110} and {112} glide planes prolongs nonuniform strain through formation of kink bands. These bands suppress strain hardening by reorienting microscale bands of the crystal along directions of higher resolved shear stress and continually nucleate to accommodate localized strain and distribute damage away from a crack tip.

View Accepted Manuscript (DOE)

Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 2479095

Report Number(s):: PNNL-SA--194180

Journal Information:: Science, Journal Name: Science Journal Issue: 6692 Vol. 384; ISSN 0036-8075

Publisher:: AAASCopyright Statement

Country of Publication:: United States

Language:: English

References (77)

Microstructure and Mechanical Properties Evolution in HfNbTaTiZr Refractory High‐Entropy Alloy During Cold Rolling Zherebtsov, Sergey; Yurchenko, Nikita; Shaysultanov, Dmitry Advanced Engineering Materials, Vol. 22, Issue 10 https://doi.org/10.1002/adem.202000105	journal	April 2020
Mo-Si-B Alloys for Ultrahigh-Temperature Structural Applications Lemberg, J. A.; Ritchie, R. O. Advanced Materials, Vol. 24, Issue 26 https://doi.org/10.1002/adma.201200764	journal	June 2012
Tensile Kinking in Single Crystals of Cadmium Blasdale, K. C. A.; King, R. physica status solidi (b), Vol. 10, Issue 1 https://doi.org/10.1002/pssb.19650100117	journal	January 1965
The microstructure of tensile kinks in cadmium crystals Blasdale, K. C. A.; King, R.; Puttick, K. E. physica status solidi (b), Vol. 18, Issue 2 https://doi.org/10.1002/pssb.19660180202	journal	January 1966
Tensile behavior of a new single-crystal nickel-based superalloy (CMSX-4) at room and elevated temperatures Sengupta, A.; Putatunda, S. K.; Bartosiewicz, L. Journal of Materials Engineering and Performance, Vol. 3, Issue 1 https://doi.org/10.1007/BF02654502	journal	February 1994
On macroscopic and microscopic analyses for crack initiation and crack growth toughness in ductile alloys Ritchie, R. O.; Thompson, A. W. Metallurgical Transactions A, Vol. 16, Issue 1 https://doi.org/10.1007/BF02815305	journal	January 1985
Understanding fracture toughness in gamma TiAl Chan, Kwai S. JOM, Vol. 44, Issue 5 https://doi.org/10.1007/BF03223047	journal	May 1992
Structure and nature of kink bands in zinc Hess, J. B.; Barrett, C. S. JOM, Vol. 1, Issue 9 https://doi.org/10.1007/BF03398902	journal	September 1949
Microstructure and elevated temperature properties of a refractory TaNbHfZrTi alloy Senkov, O. N.; Scott, J. M.; Senkova, S. V. Journal of Materials Science, Vol. 47, Issue 9 https://doi.org/10.1007/s10853-012-6260-2	journal	January 2012
On the influence of state of stress on ductile failure initiation in high strength steels Mackenzie, A. C.; Hancock, J. W.; Brown, D. K. Engineering Fracture Mechanics, Vol. 9, Issue 1 https://doi.org/10.1016/0013-7944(77)90062-5	journal	January 1977
High temperature strength and room temperature fracture toughness of Nb–Mo–W refractory alloys with and without carbide dispersoids Kim, Won-Yong; Tanaka, Hisao; Kim, Mok-Soon Materials Science and Engineering: A, Vol. 346, Issue 1-2 https://doi.org/10.1016/S0921-5093(02)00515-4	journal	April 2003
High temperature strength, fracture toughness and oxidation resistance of Nb–Si–Al–Ti multiphase alloys Murayama, Yonosuke; Hanada, Shuji Science and Technology of Advanced Materials, Vol. 3, Issue 2 https://doi.org/10.1016/S1468-6996(02)00005-0	journal	January 2002
Crystallographic classification of kink bands in an extruded Mg–Zn–Y alloy using intragranular misorientation axis analysis Yamasaki, Michiaki; Hagihara, Koji; Inoue, Shin-ichi Acta Materialia, Vol. 61, Issue 6 https://doi.org/10.1016/j.actamat.2012.12.026	journal	April 2013
A critical review of high entropy alloys and related concepts Miracle, D. B.; Senkov, O. N. Acta Materialia, Vol. 122 https://doi.org/10.1016/j.actamat.2016.08.081	journal	January 2017
Mechanistic origin of high strength in refractory BCC high entropy alloys up to 1900K Maresca, Francesco; Curtin, William A. Acta Materialia, Vol. 182 https://doi.org/10.1016/j.actamat.2019.10.015	journal	January 2020
Mechanical instability and tensile properties of TiZrHfNbTa high entropy alloy at cryogenic temperatures Wang, Shubin; Wu, Mingxu; Shu, Da Acta Materialia, Vol. 201 https://doi.org/10.1016/j.actamat.2020.10.044	journal	December 2020
Theory of solid solution strengthening of BCC Chemically Complex Alloys Rao, S. I.; Woodward, C.; Akdim, B. Acta Materialia, Vol. 209 https://doi.org/10.1016/j.actamat.2021.116758	journal	May 2021
Theory-guided design of high-strength, high-melting point, ductile, low-density, single-phase BCC high entropy alloys Rao, Y.; Baruffi, C.; De Luca, A. Acta Materialia, Vol. 237 https://doi.org/10.1016/j.actamat.2022.118132	journal	September 2022
Temperature-dependent tensile behavior of the HfNbTaTiZr multi-principal element alloy Mills, Leah H.; Emigh, Megan G.; Frey, Carolina H. Acta Materialia, Vol. 245 https://doi.org/10.1016/j.actamat.2022.118618	journal	February 2023
Compressive vs. tensile yield and fracture toughness behavior of a body-centered cubic refractory high-entropy superalloy Al0.5Nb1.25Ta1.25TiZr at temperatures from ambient to 1200°C Kumar, Punit; Kim, Sang Jun; Yu, Qin Acta Materialia, Vol. 245 https://doi.org/10.1016/j.actamat.2022.118620	journal	February 2023
CALPHAD-aided design for superior thermal stability and mechanical behavior in a TiZrHfNb refractory high-entropy alloy Li, Tianxin; Wang, Shudao; Fan, Wenxue Acta Materialia, Vol. 246 https://doi.org/10.1016/j.actamat.2023.118728	journal	March 2023
Local lattice distortions and the structural instabilities in bcc Nb–Ta–Ti–Hf high-entropy alloys: An ab initio computational study Borges, Pedro P. P. O.; Ritchie, Robert O.; Asta, Mark Acta Materialia, Vol. 262 https://doi.org/10.1016/j.actamat.2023.119415	journal	January 2024
Efficient stochastic generation of special quasirandom structures van de Walle, A.; Tiwary, P.; de Jong, M. Calphad, Vol. 42 https://doi.org/10.1016/j.calphad.2013.06.006	journal	September 2013
Modified embedded-atom method potential of niobium for studies on mechanical properties Yang, Chaoming; Qi, Liang Computational Materials Science, Vol. 161 https://doi.org/10.1016/j.commatsci.2019.01.047	journal	April 2019
Twinning and antitwinning in body-centered cubic metals Gröger, Roman; Holzer, Jakub; Kruml, Tomáš Computational Materials Science, Vol. 216 https://doi.org/10.1016/j.commatsci.2022.111874	journal	January 2023
A generic stress–strain model for metallic materials with two-stage strain hardening behaviour Hertelé, Stijn; De Waele, Wim; Denys, Rudi International Journal of Non-Linear Mechanics, Vol. 46, Issue 3 https://doi.org/10.1016/j.ijnonlinmec.2010.12.004	journal	April 2011
High temperature fracture experiments on tungsten–rhenium alloys Wurster, Stefan; Gludovatz, Bernd; Pippan, Reinhard International Journal of Refractory Metals and Hard Materials, Vol. 28, Issue 6 https://doi.org/10.1016/j.ijrmhm.2010.03.002	journal	November 2010
Oxidation behaviour and its effect on fracture toughness of Niobium metal Ramachandran, Karthikeyan; Jayakody, Yasith C.; Jayaseelan, Doni Daniel International Journal of Refractory Metals and Hard Materials, Vol. 110 https://doi.org/10.1016/j.ijrmhm.2022.106033	journal	January 2023
Mechanical properties of Nb25Mo25Ta25W25 and V20Nb20Mo20Ta20W20 refractory high entropy alloys Senkov, O. N.; Wilks, G. B.; Scott, J. M. Intermetallics, Vol. 19, Issue 5 https://doi.org/10.1016/j.intermet.2011.01.004	journal	May 2011
Notch fracture toughness of body-centered-cubic (TiZrNbTa) Mo high-entropy alloys Wang, Shao-Ping; Ma, Evan; Xu, Jian Intermetallics, Vol. 103 https://doi.org/10.1016/j.intermet.2018.10.008	journal	December 2018
High temperature mechanical properties of TZM alloys under different lanthanum doping treatments Hu, Ping; Yang, Fan; Deng, Jie Journal of Alloys and Compounds, Vol. 711 https://doi.org/10.1016/j.jallcom.2017.03.346	journal	July 2017
Effect of alloying elements on stacking fault energy and ductility of tungsten Qian, Jing; Wu, C. Y.; Fan, J. L. Journal of Alloys and Compounds, Vol. 737 https://doi.org/10.1016/j.jallcom.2017.12.042	journal	March 2018
Effect of dislocation channeling and kink band formation on enhanced tensile properties of a new beta Ti alloy Sadeghpour, S.; Abbasi, S. M.; Morakabati, M. Journal of Alloys and Compounds, Vol. 808 https://doi.org/10.1016/j.jallcom.2019.151741	journal	November 2019
Analysis of damage-tolerance of TRIP-assisted V10Cr10Fe45Co30Ni5 high-entropy alloy at room and cryogenic temperatures Jo, Yong Hee; Yang, Junha; Doh, Kyung-Yeon Journal of Alloys and Compounds, Vol. 844 https://doi.org/10.1016/j.jallcom.2020.156090	journal	December 2020
A novel deformation mechanism in Ti-V binary metastable β-Ti alloys: Deformation kinking promoted by dislocation accumulation Li, Keer; Chen, Wei; Yu, Guoxiang Journal of Alloys and Compounds, Vol. 875 https://doi.org/10.1016/j.jallcom.2021.159982	journal	September 2021
Strain rate dependent deformation behavior of BCC-structured Ti29Zr24Nb23Hf24 high entropy alloy at elevated temperatures Cao, Tangqing; Guo, Wenqi; Lu, Wang Journal of Alloys and Compounds, Vol. 891 https://doi.org/10.1016/j.jallcom.2021.161859	journal	January 2022
Frank-Read source operation in six body-centered cubic refractory metals Xu, Shuozhi; Su, Yanqing; Smith, Lauren  T.  W. Journal of the Mechanics and Physics of Solids, Vol. 141 https://doi.org/10.1016/j.jmps.2020.104017	journal	August 2020
Dislocation glide and mechanical twinning in a ductile VNbTi medium entropy alloy Wu, Mingxu; Wang, Shubin; Xiao, Fei Journal of Materials Science & Technology, Vol. 110 https://doi.org/10.1016/j.jmst.2021.09.016	journal	May 2022
Remarkably high fracture toughness of HfNbTaTiZr refractory high-entropy alloy Fan, X. J.; Qu, R. T.; Zhang, Z. F. Journal of Materials Science & Technology, Vol. 123 https://doi.org/10.1016/j.jmst.2022.01.017	journal	October 2022
Fracture toughness investigations of tungsten alloys and SPD tungsten alloys Faleschini, M.; Kreuzer, H.; Kiener, D. Journal of Nuclear Materials, Vol. 367-370 https://doi.org/10.1016/j.jnucmat.2007.03.079	journal	August 2007
Improved fracture toughness by microalloying of Fe in Ti-6Al-4V Chen, Fuwen; Gu, Yulei; Xu, Guanglong Materials & Design, Vol. 185 https://doi.org/10.1016/j.matdes.2019.108251	journal	January 2020
Kinking in a refractory TiZrHfNb0.7 medium-entropy alloy Wang, Shubin; Wu, Mingxu; Shu, Da Materials Letters, Vol. 264 https://doi.org/10.1016/j.matlet.2020.127369	journal	April 2020
Fracture properties of a refractory high-entropy alloy: In situ micro-cantilever and atom probe tomography studies Zou, Y.; Okle, P.; Yu, H. Scripta Materialia, Vol. 128 https://doi.org/10.1016/j.scriptamat.2016.09.036	journal	February 2017
Phase transformations of HfNbTaTiZr high-entropy alloy at intermediate temperatures Chen, S. Y.; Tong, Y.; Tseng, K. -K. Scripta Materialia, Vol. 158 https://doi.org/10.1016/j.scriptamat.2018.08.032	journal	January 2019
Cold-workable refractory complex concentrated alloys with tunable microstructure and good room-temperature tensile behavior Zhang, Cheng; MacDonald, Benjamin E.; Guo, Fengwei Scripta Materialia, Vol. 188 https://doi.org/10.1016/j.scriptamat.2020.07.006	journal	November 2020
Correlating dislocation mobility with local lattice distortion in refractory multi-principal element alloys Chen, Bing; Li, Suzhi; Ding, Jun Scripta Materialia, Vol. 222 https://doi.org/10.1016/j.scriptamat.2022.115048	journal	January 2023
py4DSTEM: A Software Package for Four-Dimensional Scanning Transmission Electron Microscopy Data Analysis Savitzky, Benjamin H.; Zeltmann, Steven E.; Hughes, Lauren A. Microscopy and Microanalysis https://doi.org/10.1017/S1431927621000477	journal	May 2021
A type of Plastic Deformation new in Metals Orowan, E. Nature, Vol. 149, Issue 3788 https://doi.org/10.1038/149643a0	journal	June 1942
The conflicts between strength and toughness Ritchie, Robert O. Nature Materials, Vol. 10, Issue 11 https://doi.org/10.1038/nmat3115	journal	October 2011
Strength can be controlled by edge dislocations in refractory high-entropy alloys Lee, Chanho; Maresca, Francesco; Feng, Rui Nature Communications, Vol. 12, Issue 1 https://doi.org/10.1038/s41467-021-25807-w	journal	September 2021
Size-dependent plastic deformation of twinned nanopillars in body-centered cubic tungsten Xu, Shuozhi; Startt, Jacob K.; Payne, Thomas G. Journal of Applied Physics, Vol. 121, Issue 17 https://doi.org/10.1063/1.4982754	journal	May 2017
Tunable stacking fault energies by tailoring local chemical order in CrCoNi medium-entropy alloys Ding, Jun; Yu, Qin; Asta, Mark Proceedings of the National Academy of Sciences, Vol. 115, Issue 36 https://doi.org/10.1073/pnas.1808660115	journal	August 2018
The crystallography of deformation kinking Crocker, A. G.; Abell, J. S. Philosophical Magazine, Vol. 33, Issue 2 https://doi.org/10.1080/00318087608225776	journal	February 1976
The deformation of niobium single crystals at temperatures between 77 and 4.2 K Nagakawa, Johsei; Meshii, M. Philosophical Magazine A, Vol. 44, Issue 5 https://doi.org/10.1080/01418618108235801	journal	November 1981
Experiments on the deformation of niobium single crystals. I. Stress versus strain curves and slip systems in compression and tension Taylor, G.; Christian, J. W. Philosophical Magazine, Vol. 15, Issue 137 https://doi.org/10.1080/14786436708221635	journal	May 1967
The formation of deformation kinks in body centred cubic crystals Flewitt, P. E. J.; Crocker, A. G. Philosophical Magazine, Vol. 34, Issue 5 https://doi.org/10.1080/14786437608222057	journal	November 1976
Inhomogeneous Electron Gas Hohenberg, P.; Kohn, W. Physical Review, Vol. 136, Issue 3B, p. B864-B871 https://doi.org/10.1103/PhysRev.136.B864	journal	November 1964
Self-Consistent Equations Including Exchange and Correlation Effects Kohn, W.; Sham, L. J. Physical Review, Vol. 140, Issue 4A, p. A1133-A1138 https://doi.org/10.1103/PhysRev.140.A1133	journal	November 1965
Finite Elastic Strain of Cubic Crystals Birch, Francis Physical Review, Vol. 71, Issue 11 https://doi.org/10.1103/PhysRev.71.809	journal	June 1947
Dislocation Models of Crystal Grain Boundaries Read, W. T.; Shockley, W. Physical Review, Vol. 78, Issue 3 https://doi.org/10.1103/PhysRev.78.275	journal	May 1950
High-precision sampling for Brillouin-zone integration in metals Methfessel, M.; Paxton, A. T. Physical Review B, Vol. 40, Issue 6 https://doi.org/10.1103/PhysRevB.40.3616	journal	August 1989
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Effect of Rhenium on the Dislocation Core Structure in Tungsten Romaner, Lorenz; Ambrosch-Draxl, Claudia; Pippan, Reinhard Physical Review Letters, Vol. 104, Issue 19 https://doi.org/10.1103/PhysRevLett.104.195503	journal	May 2010
Special quasirandom structures Zunger, Alex; Wei, S.-H.; Ferreira, L. G. Physical Review Letters, Vol. 65, Issue 3, p. 353-356 https://doi.org/10.1103/PhysRevLett.65.353	journal	July 1990
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Electronic Origin of Solid Solution Softening in bcc Molybdenum Alloys Medvedeva, N. I.; Gornostyrev, Yu. N.; Freeman, A. J. Physical Review Letters, Vol. 94, Issue 13 https://doi.org/10.1103/PhysRevLett.94.136402	journal	April 2005
A Study on the Normalized Load Function for J-R Curve Testing Using Normalization Method Kim, Kuk-cheol; Ma, Young-wha Volume 6A: Materials and Fabrication https://doi.org/10.1115/PVP2014-28145	conference	July 2014
Temperature dependence of elastic and plastic deformation behavior of a refractory high-entropy alloy Lee, Chanho; Kim, George; Chou, Yi Science Advances, Vol. 6, Issue 37 https://doi.org/10.1126/sciadv.aaz4748	journal	September 2020
The Hotter the Engine, the Better Perepezko, J. H. Science, Vol. 326, Issue 5956 https://doi.org/10.1126/science.1179327	journal	November 2009
A fracture-resistant high-entropy alloy for cryogenic applications Gludovatz, B.; Hohenwarter, A.; Catoor, D. Science, Vol. 345, Issue 6201 https://doi.org/10.1126/science.1254581	journal	September 2014
Multiplicity of dislocation pathways in a refractory multiprincipal element alloy Wang, Fulin; Balbus, Glenn H.; Xu, Shuozhi Science, Vol. 370, Issue 6512 https://doi.org/10.1126/science.aba3722	journal	October 2020
Exceptional fracture toughness of CrCoNi-based medium- and high-entropy alloys at 20 kelvin Liu, Dong; Yu, Qin; Kabra, Saurabh Science, Vol. 378, Issue 6623 https://doi.org/10.1126/science.abp8070	journal	December 2022
Kinking in niobium Chan, C. Y.; Reid, C. N.; Duggan, B. J. Materials Science and Technology, Vol. 18, Issue 4 https://doi.org/10.1179/026708302225001688	journal	April 2002
Development and exploration of refractory high entropy alloys—A review Senkov, Oleg N.; Miracle, Daniel B.; Chaput, Kevin J. Journal of Materials Research, Vol. 33, Issue 19 https://doi.org/10.1557/jmr.2018.153	journal	June 2018
Progress and challenges in the theory and modeling of complex concentrated alloys Curtin, W. A.; Rao, S. I.; Woodward, C. MRS Bulletin, Vol. 47, Issue 2 https://doi.org/10.1557/s43577-022-00306-5	journal	February 2022

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