Evolution of local lattice distortion under irradiation in medium- and high-entropy alloys

Tong, Yang; Velisa, Gihan; Zhao, Shiteng; Guo, Wei; Yang, Taini; Jin, Ke; Lu, Chenyang; Bei, Hongbin; Ko, J. Y. P.; Pagan, D. C.; Zhang, Yanwen; Wang, Lumin; Zhang, F. X.

doi:10.1016/j.mtla.2018.06.008

Title: Evolution of local lattice distortion under irradiation in medium- and high-entropy alloys

Journal Article · 27 June 2018 · Materialia

DOI: https://doi.org/10.1016/j.mtla.2018.06.008 · OSTI ID:1460240

Tong, Yang ^[1];

^[1]; Zhao, Shiteng ^[1]; Guo, Wei ^[1]; Yang, Taini ^[2];

^[1]; Lu, Chenyang ^[2];

^[1]; Ko, J. Y. P. ^[3]; Pagan, D. C. ^[3];

^[4]; Wang, Lumin ^[2];

^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Univ. of Michigan, Ann Arbor, MI (United States)
Cornell Univ., Ithaca, NY (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); The Univ. of Tennessee, Knoxville, TN (United States)

Here, a major challenge for future nuclear reactors is to design nuclear materials that can sustain extremely prolonged radiation damage. Local lattice distortion, considered as a core effect of high-entropy alloys (HEAs), can suppress the growth of radiation defects to control radiation performance. However, local lattice distortion in HEAs is rarely quantitatively measured. Here we employed total scattering technique to study the local structure of the face-centered cubic (fcc) equiatomic FeCoNiCr MEA, and FeCoNiCrMn and FeCoNiCrPd HEAs before and after ion irradiation. Their local lattice distortions were quantitatively evaluated based on the difference of lattice constant between the local structure and the average structure. We revealed that the mean local lattice distortion in the pristine samples varies in the following order: FeCoNiCr < FeCoNiCrMn < FeCoNiCrPd. Density functional theory (DFT) calculations further unveiled that the fluctuation of local distortions in FeCoNiCr and FeCoNiCrMn is less than 5%, whereas the highest bond-length fluctuation in FeCoNiCrPd can approach to 8%. Under irradiation the mean local lattice distortion in FeCoNiCr and FeCoNiCrMn evolves differently from FeCoNiCrPd by showing a relaxation behavior at low dose. And the impact of local lattice distortion on dislocation loops after a prolonged ion-irradiation was investigated by transmission electron microscope (TEM) and the underlying mechanism was discussed.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Energy Dissipation to Defect Evolution (EDDE); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1460240

Journal Information:: Materialia, Journal Name: Materialia Vol. 2; ISSN 2589-1529

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (52)

Nanostructured High-Entropy Alloys with Multiple Principal Elements: Novel Alloy Design Concepts and Outcomes Yeh, J.-W.; Chen, S.-K.; Lin, S.-J. Advanced Engineering Materials, Vol. 6, Issue 5, p. 299-303 https://doi.org/10.1002/adem.200300567	journal	May 2004
Solid-Solution Phase Formation Rules for Multi-component Alloys Zhang, Y.; Zhou, Y. J.; Lin, J. P. Advanced Engineering Materials, Vol. 10, Issue 6, p. 534-538 https://doi.org/10.1002/adem.200700240	journal	June 2008
Local Atomic Structure of a High-Entropy Alloy: An X-Ray and Neutron Scattering Study Guo, Wei; Dmowski, Wojciech; Noh, Ji-Yong Metallurgical and Materials Transactions A, Vol. 44, Issue 5 https://doi.org/10.1007/s11661-012-1474-0	journal	November 2012
Alloy Design Strategies and Future Trends in High-Entropy Alloys Yeh, Jien-Wei JOM, Vol. 65, Issue 12 https://doi.org/10.1007/s11837-013-0761-6	journal	October 2013
Local Electronic Effects and Irradiation Resistance in High-Entropy Alloys Egami, T.; Ojha, M.; Khorgolkhuu, O. JOM, Vol. 67, Issue 10 https://doi.org/10.1007/s11837-015-1579-1	journal	August 2015
Substitutional solution hardening Fleischer, R. L. Acta Metallurgica, Vol. 11, Issue 3 https://doi.org/10.1016/0001-6160(63)90213-X	journal	March 1963
Void-swelling in irons and ferritic steels Little, E. A. Journal of Nuclear Materials, Vol. 87, Issue 1 https://doi.org/10.1016/0022-3115(79)90122-3	journal	November 1979
Grain boundary segregation under electron irradiation in austenitic stainless steels modified with oversized elements Kato, Takahiko; Takahashi, Heishichiro; Izumiya, Masakiyo Journal of Nuclear Materials, Vol. 189, Issue 2 https://doi.org/10.1016/0022-3115(92)90529-T	journal	July 1992
Calibration and correction of spatial distortions in 2D detector systems Hammersley, A. P.; Svensson, S. O.; Thompson, A. Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 346, Issue 1-2 https://doi.org/10.1016/0168-9002(94)90720-X	journal	July 1994
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
On the mechanism of radiation-induced segregation in austenitic Fe–Cr–Ni alloys Allen, T. R.; Busby, J. T.; Was, G. S. Journal of Nuclear Materials, Vol. 255, Issue 1 https://doi.org/10.1016/S0022-3115(98)00010-5	journal	May 1998
Diffusion rates of 3d transition metal solutes in nickel by first-principles calculations Krcmar, M.; Fu, C.; Janotti, A. Acta Materialia, Vol. 53, Issue 8 https://doi.org/10.1016/j.actamat.2005.01.044	journal	May 2005
Calculation of impurity diffusivities in α-Fe using first-principles methods Huang, Shenyan; Worthington, Daniel L.; Asta, Mark Acta Materialia, Vol. 58, Issue 6 https://doi.org/10.1016/j.actamat.2009.11.041	journal	April 2010
Sluggish diffusion in Co–Cr–Fe–Mn–Ni high-entropy alloys Tsai, K. -Y.; Tsai, M. -H.; Yeh, J. -W. Acta Materialia, Vol. 61, Issue 13 https://doi.org/10.1016/j.actamat.2013.04.058	journal	August 2013
The influences of temperature and microstructure on the tensile properties of a CoCrFeMnNi high-entropy alloy Otto, F.; Dlouhý, A.; Somsen, Ch. Acta Materialia, Vol. 61, Issue 15 https://doi.org/10.1016/j.actamat.2013.06.018	journal	September 2013
Size-dependent plasticity in an Nb25Mo25Ta25W25 refractory high-entropy alloy Zou, Yu; Maiti, Soumyadipta; Steurer, Walter Acta Materialia, Vol. 65 https://doi.org/10.1016/j.actamat.2013.11.049	journal	February 2014
Temperature dependence of the mechanical properties of equiatomic solid solution alloys with face-centered cubic crystal structures Wu, Z.; Bei, H.; Pharr, G. M. Acta Materialia, Vol. 81 https://doi.org/10.1016/j.actamat.2014.08.026	journal	December 2014
A geometric model for intrinsic residual strain and phase stability in high entropy alloys Ye, Y. F.; Liu, C. T.; Yang, Y. Acta Materialia, Vol. 94 https://doi.org/10.1016/j.actamat.2015.04.051	journal	August 2015
Theory of strengthening in fcc high entropy alloys Varvenne, Céline; Luque, Aitor; Curtin, William A. Acta Materialia, Vol. 118 https://doi.org/10.1016/j.actamat.2016.07.040	journal	October 2016
Thermal activation mechanisms and Labusch-type strengthening analysis for a family of high-entropy and equiatomic solid-solution alloys Wu, Zhenggang; Gao, Yanfei; Bei, Hongbin Acta Materialia, Vol. 120 https://doi.org/10.1016/j.actamat.2016.08.047	journal	November 2016
An assessment of the lattice strain in the CrMnFeCoNi high-entropy alloy Owen, L. R.; Pickering, E. J.; Playford, H. Y. Acta Materialia, Vol. 122 https://doi.org/10.1016/j.actamat.2016.09.032	journal	January 2017
Radiation-induced segregation on defect clusters in single-phase concentrated solid-solution alloys Lu, Chenyang; Yang, Taini; Jin, Ke Acta Materialia, Vol. 127 https://doi.org/10.1016/j.actamat.2017.01.019	journal	April 2017
Stacking fault energies of face-centered cubic concentrated solid solution alloys Zhao, Shijun; Stocks, G. Malcolm; Zhang, Yanwen Acta Materialia, Vol. 134 https://doi.org/10.1016/j.actamat.2017.05.001	journal	August 2017
Atomic-level heterogeneity and defect dynamics in concentrated solid-solution alloys Zhang, Yanwen; Zhao, Shijun; Weber, William J. Current Opinion in Solid State and Materials Science, Vol. 21, Issue 5 https://doi.org/10.1016/j.cossms.2017.02.002	journal	October 2017
Phase stability, physical properties and strengthening mechanisms of concentrated solid solution alloys Wu, Z.; Troparevsky, M. C.; Gao, Y. F. Current Opinion in Solid State and Materials Science, Vol. 21, Issue 5 https://doi.org/10.1016/j.cossms.2017.07.001	journal	October 2017
Atomic-size and lattice-distortion effects in newly developed high-entropy alloys with multiple principal elements Wang, Zhijun; Qiu, Weifeng; Yang, Yong Intermetallics, Vol. 64 https://doi.org/10.1016/j.intermet.2015.04.014	journal	September 2015
Assessment of radiation-induced segregation mechanisms in austenitic and ferritic–martensitic alloys Was, Gary S.; Wharry, Janelle P.; Frisbie, Brian Journal of Nuclear Materials, Vol. 411, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2011.01.031	journal	April 2011
The effect of injected interstitials on void formation in self-ion irradiated nickel containing concentrated solid solution alloys Yang, Tai-ni; Lu, Chenyang; Jin, Ke Journal of Nuclear Materials, Vol. 488 https://doi.org/10.1016/j.jnucmat.2017.02.026	journal	May 2017
High-entropy alloy: challenges and prospects Ye, Y. F.; Wang, Q.; Lu, J. Materials Today, Vol. 19, Issue 6 https://doi.org/10.1016/j.mattod.2015.11.026	journal	July 2016
Microstructural development in equiatomic multicomponent alloys Cantor, B.; Chang, I. T. H.; Knight, P. Materials Science and Engineering: A, Vol. 375-377 https://doi.org/10.1016/j.msea.2003.10.257	journal	July 2004
New ion beam materials laboratory for materials modification and irradiation effects research Zhang, Y.; Crespillo, M. L.; Xue, H. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 338 https://doi.org/10.1016/j.nimb.2014.07.028	journal	November 2014
Effects of compositional complexity on the ion-irradiation induced swelling and hardening in Ni-containing equiatomic alloys Jin, K.; Lu, C.; Wang, L. M. Scripta Materialia, Vol. 119 https://doi.org/10.1016/j.scriptamat.2016.03.030	journal	July 2016
Evolution of irradiation-induced strain in an equiatomic NiFe alloy Ullah, Mohammad W.; Zhang, Yanwen; Sellami, Neila Scripta Materialia, Vol. 140 https://doi.org/10.1016/j.scriptamat.2017.06.042	journal	November 2017
Exceptional damage-tolerance of a medium-entropy alloy CrCoNi at cryogenic temperatures Gludovatz, Bernd; Hohenwarter, Anton; Thurston, Keli V. S. Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms10602	journal	February 2016
Enhancing radiation tolerance by controlling defect mobility and migration pathways in multicomponent single-phase alloys Lu, Chenyang; Niu, Liangliang; Chen, Nanjun Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms13564	journal	December 2016
Influence of chemical disorder on energy dissipation and defect evolution in concentrated solid solution alloys Zhang, Yanwen; Stocks, G. Malcolm; Jin, Ke Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms9736	journal	October 2015
Tailoring the physical properties of Ni-based single-phase equiatomic alloys by modifying the chemical complexity Jin, K.; Sales, B. C.; Stocks, G. M. Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep20159	journal	February 2016
Multistep damage evolution process in cubic zirconia irradiated with MeV ions Moll, S.; Thomé, L.; Sattonnay, G. Journal of Applied Physics, Vol. 106, Issue 7 https://doi.org/10.1063/1.3236567	journal	October 2009
Atomic displacement in the CrMnFeCoNi high-entropy alloy – A scaling factor to predict solid solution strengthening Okamoto, Norihiko L.; Yuge, Koretaka; Tanaka, Katsushi AIP Advances, Vol. 6, Issue 12 https://doi.org/10.1063/1.4971371	journal	December 2016
High-Entropy Alloys: A Critical Review Tsai, Ming-Hung; Yeh, Jien-Wei Materials Research Letters, Vol. 2, Issue 3 https://doi.org/10.1080/21663831.2014.912690	journal	April 2014
Influence of elastic properties on the strain induced by ion irradiation in crystalline materials Debelle, A.; Boulle, A.; Rakotovao, F. Journal of Physics D: Applied Physics, Vol. 46, Issue 4 https://doi.org/10.1088/0022-3727/46/4/045309	journal	December 2012
PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals Farrow, C. L.; Juhas, P.; Liu, J. W. Journal of Physics: Condensed Matter, Vol. 19, Issue 33 https://doi.org/10.1088/0953-8984/19/33/335219	journal	July 2007
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
Direct Observation of Dopant Atom Diffusion in a Bulk Semiconductor Crystal Enhanced by a Large Size Mismatch Ishikawa, Ryo; Mishra, Rohan; Lupini, Andrew R. Physical Review Letters, Vol. 113, Issue 15 https://doi.org/10.1103/PhysRevLett.113.155501	journal	October 2014
Mechanism of Radiation Damage Reduction in Equiatomic Multicomponent Single Phase Alloys Granberg, F.; Nordlund, K.; Ullah, Mohammad W. Physical Review Letters, Vol. 116, Issue 13 https://doi.org/10.1103/PhysRevLett.116.135504	journal	April 2016
Local Structure and Short-Range Order in a NiCoCr Solid Solution Alloy Zhang, F. X.; Zhao, Shijun; Jin, Ke Physical Review Letters, Vol. 118, Issue 20 https://doi.org/10.1103/PhysRevLett.118.205501	journal	May 2017
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
Solute Diffusion in Metals: Larger Atoms Can Move Faster Janotti, A.; Krčmar, M.; Fu, C. L. Physical Review Letters, Vol. 92, Issue 8 https://doi.org/10.1103/PhysRevLett.92.085901	journal	February 2004
PDFgetX3 : a rapid and highly automatable program for processing powder diffraction data into total scattering pair distribution functions Juhás, P.; Davis, T.; Farrow, C. L. Journal of Applied Crystallography, Vol. 46, Issue 2 https://doi.org/10.1107/S0021889813005190	journal	March 2013
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
Lattice Distortions in the FeCoNiCrMn High Entropy Alloy Studied by Theory and Experiment Oh, Hyun; Ma, Duancheng; Leyson, Gerard Entropy, Vol. 18, Issue 9 https://doi.org/10.3390/e18090321	journal	September 2016

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Title: Evolution of local lattice distortion under irradiation in medium- and high-entropy alloys

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