Abstract
Historically, alloy development with better radiation performance has been focused on traditional alloys with one or two principal element(s) and minor alloying elements, where enhanced radiation resistance depends on microstructural or nanoscale features to mitigate displacement damage. In sharp contrast to traditional alloys, recent advances of single-phase concentrated solid solution alloys (SP-CSAs) have opened up new frontiers in materials research. In these alloys, a random arrangement of multiple elemental species on a crystalline lattice results in disordered local chemical environments and unique site-to-site lattice distortions. Based on closely integrated computational and experimental studies using a novel set of SP-CSAs in a face-centered cubic structure, we have explicitly demonstrated that increasing chemical disorder can lead to a substantial reduction in electron mean free paths, as well as electrical and thermal conductivity, which results in slower heat dissipation in SP-CSAs. The chemical disorder also has a significant impact on defect evolution under ion irradiation. Considerable improvement in radiation resistance is observed with increasing chemical disorder at electronic and atomic levels. The insights into defect dynamics may provide a basis for understanding elemental effects on evolution of radiation damage in irradiated materials and may inspire new design principles of radiation-tolerant structural alloys for advanced energy systems.
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References
B. Gludovatz, A. Hohenwarter, D. Catoor, E.H. Chang, E.P. George, and R.O. Ritchie: A fracture-resistant high-entropy alloy for cryogenic applications. Science 345, 1153–1158 (2014).
Y. Zhang, G.M. Stocks, K. Jin, C. Lu, H. Bei, B.C. Sales, L. Wang, L.K. Beland, R.E. Stoller, G.D. Samolyuk, M. Caro, A. Caro, and W.J. Weber: Influence of chemical disorder on energy dissipation and defect evolution in nickel and Ni-based concentrated solid-solution alloys. Nat. Commun. 6, 8736 (2015).
L.J. Santodonato, Y. Zhang, M. Feygenson, C.M. Parish, M.C. Gao, R.J.K. Weber, J.C. Neuefeind, Z. Tang, and P.K. Liaw: Deviation from high-entropy configurations in the atomic distributions of a multi-principal-element alloy. Nat. Commun. 6, 5964 (2015).
O.N. Senkov, J.D. Miller, D.B. Miracle, and C. Woodward: Accelerated exploration of multi-principal element alloys with solid solution phases. Nat. Commun. 6, 6529 (2015).
K. Jin, B.C. Sales, G.M. Stocks, G.D. Samolyuk, M. Daene, W.J. Weber, Y. Zhang, and H. Bei: Tailoring the physical properties of Ni-based single-phase equiatomic alloys by modifying the chemical complexity. Sci. Rep. 6, 20159 (2016).
C. Lu, K. Jin, L.K. Béland, F. Zhang, T. Yang, L. Qiao, Y. Zhang, H. Bei, H.M. Christen, R.E. Stoller, and L. Wang: Direct observation of defect range and evolution in ion-irradiated single crystalline Ni and Ni binary alloys. Sci. Rep. 6, 19994 (2016).
Y. Zhang, T. Zuo, Y. Cheng, and P.K. Liaw: High-entropy alloys with high saturation magnetization, electrical resistivity, and malleability. Sci. Rep. 3, 1455 (2013).
O.N. Senkov, G.B. Wilks, D.B. Miracle, C.P. Chuang, and P.K. Liaw: Refractory high-entropy alloys. Intermetallics 18, 1758–1765 (2010).
O.N. Senkov, G.B. Wilks, J.M. Scott, and D.B. Miracle: Mechanical properties of Nb25Mo25Ta25W25 and V20Nb20Mo20Ta20W20 refractory high entropy alloys. Intermetallics 19, 698–706 (2011).
Z. Wu, H. Bei, G.M. Pharr, and E.P. George: Temperature dependence of the mechanical properties of equiatomic solid solution alloys with face-centered cubic crystal structures. Acta Mater. 81, 428–441 (2014).
X. Ye, M. Ma, W. Liu, L. Li, M. Zhong, Y. Liu, and Q. Wu: Synthesis and characterization of high-entropy alloy AlxFeCoNiCuCr by laser cladding. Adv. Mater. Sci. Eng. 2011, 1–7 (2011).
F. Otto, Y. Yang, H. Bei, and E.P. George: Relative effects of enthalpy and entropy on the phase stability of equiatomic high-entropy alloys. Acta Mater. 61, 2628–2638 (2013).
Y.P. Wang, B.S. Li, and H.Z. Fu: Solid solution or intermetallics in a high-entropy alloy. Adv. Eng. Mater. 11, 641–644 (2009).
M-H. Tsai and J-W. Yeh: High-entropy alloys: A critical review. Mater. Res. Lett. 2, 107–123 (2014).
M.H. Tsai: Physical properties of high entropy alloys. Entropy 15, 5338–5345 (2013).
J.W. Yeh, S.K. Chen, S.J. Lin, J.Y. Gan, T.S. Chin, T.T. Shun, C.H. Tsau, and S.Y. Chang: Nanostructured high-entropy alloys with multiple principal elements: Novel alloy design concepts and outcomes. Adv. Eng. Mater. 6, 299–303 (2004).
Z. Wu, H. Bei, F. Otto, G.M. Pharr, and E.P. George: Recovery, recrystallization, grain growth and phase stability of a family of FCC structured multi-component equiatomic solid solution alloys. Intermetallics 46, 131–140 (2014).
J. Kudrnovský, V. Drchal, and P. Bruno: Magnetic properties of fcc Ni-based transition metal alloys. Phys. Rev. B: Condens. Matter Mater. Phys. 77, 224422 (2008).
M.C. Troparevsky, J.R. Morris, M. Daene, Y. Wang, A.R. Lupini, and G.M. Stocks: Beyond atomic sizes and Hume–Rothery rules: Understanding and predicting high-entropy alloys. JOM 67, 2350–2363 (2015).
A. Tamm, A. Aabloo, M. Klintenberg, G.M. Stocks, and A. Caro: Atomic-scale properties of Ni-based FCC ternary, and quaternary alloys. Acta Mater. 99, 307–312, (2015).
J. Faulkner and G.M. Stocks: Calculating properties with the coherent-potential approximation. Phys. Rev. B: Condens. Matter Mater. Phys. 21, 3222 (1980).
M.C. Troparevsky, J.R. Morris, P.R.C. Kent, A.R. Lupini, and G.M. Stocks: Criteria for predicting the formation of single-phase high-entropy alloys. Phys. Rev. X 5, 011041 (2015).
W.H. Butler and G.M. Stocks: Mass and lifetime enhancement due to disorder on AgcPd1−c alloys. Phys. Rev. Lett. 48, 55–58 (1982).
W.H. Butler and G.M. Stocks: Calculated electrical-conductivity and thermopower of silver–palladium alloys. Phys. Rev. B: Condens. Matter Mater. Phys. 29, 4217–4233 (1984).
W.G. Hoover: Computational Statistical Mechanics (Elsevier, Amsterdam, Oxford, New York, Tokyo, 1991).
M. Caro, L.K. Béland, G.D. Samolyuk, R.E. Stoller, and A. Caro: Lattice thermal conductivity of multi-component alloys. J. Alloys Compd. 648, 408–413 (2015).
W.G. Hoover: Computational Statistical Mechanics (Elsevier, Amsterdam, 1981).
G. Bonny, C. Nicolas, and T. Dmitry: Interatomic potential for studying aging under irradiation in stainless steels: The FeNiCr model alloy. Model. Simul. Mater. Sci. Eng. 21, 085004 (2013).
T.R. Allen, J.I. Cole, J. Gan, G.S. Was, R. Dropek, and E.A. Kenik: Swelling and radiation-induced segregation in austentic alloys. J. Nucl. Mater. 342, 90–100 (2005).
A. Caro, A. Correa, A. Tamm, G.D. Samolyuk, and G.M. Stocks: Adequacy of damped dynamics to represent the electron–phonon interaction in solids. Phys. Rev. B: Condens. Matter Mater. Phys. 92, 144309 (2015).
G.D. Samolyuk, L.K. Béland, G.M. Stocks, and R.E. Stoller: Electron–phonon coupling in Ni-based binary alloys with application to displacement cascade modeling. J. Phys.: Condens. Matter 28, 75501–75511 (2016).
A.A. Correa, J. Kohanoff, E. Artacho, D. Sanchez-Portal, and A. Caro: Erratum: Nonadiabatic forces in ion-solid interactions: The initial stages of radiation damage. Phys. Rev. Lett. 109, 213201 (2012).
A. Schleife, E.W. Draeger, Y. Kanai, and A.A. Correa: Plane-wave pseudopotential implementation of explicit integrators for time-dependent Kohn–Sham equations in large-scale simulations. J. Chem. Phys. 137, 22A546 (2012).
S. Zhao, G.M. Stocks, and Y. Zhang: The formation and migration properties of point defects in Ni0.5Fe0.5, Ni0.8Fe0.2 and Ni0.8Cr0.2 concentrated solid-solution alloys from atomistic simulations. arXiv preprint: 1607.04667 (2016).
K. Jin, H. Bei, and Y. Zhang: Ion irradiation induced defect evolution in Ni and Ni-containing fcc equiatomic binary alloys. J. Nucl. Mater. 471, 193–199 (2016).
R.J. Olsen, K. Jin, C. Lu, L.K. Beland, L. Wang, H. Bei, E.D. Specht, and B.C. Larson: Investigation of defect clusters in ion-irradiated Ni and NiCo using diffuse x-ray scattering and electron microscopy. J. Nucl. Mater. 469, 153–161 (2016).
B. Liu, F. Yuan, K. Jin, Y. Zhang, and W.J. Weber: Ab initio molecular dynamics investigations of low-energy recoil events in Ni and NiCo. J. Phys.: Condens. Matter 27(43), 435006 (2015).
L.K. Béland, G.D. Samolyuk, and R.E. Stoller: Differences in the accumulation of ion-beam damage in Ni and NiFe explained by atomistic simulations. J. Alloys Compd. 662, 415–420 (2016).
D.S. Aidhy, C. Lu, K. Jin, H. Bei, Y. Zhang, L. Wang, and W.J. Weber: Point defect evolution in Ni, NiFe, and NiCr alloys from atomistic simulations and irradiation experiments. Acta Mater. 99, 69–76 (2015).
L.K. Beland, C. Lu, Y.N. Osetsky, G.D. Samolyuk, A. Caro, L. Wang, and R.E. Stoller: Features of primary damage by high energy displacement cascades in concentrated Ni-based alloys. J. Appl. Phys. 119, 085901 (2016).
D.S. Aidhy, C. Lu, K. Jin, H. Bei, Y. Zhang, L. Wang, and W.J. Weber: Formation and growth of stacking fault tetrahedra in Ni via vacancy aggregation mechanism. Scr. Mater. 114, 137–141 (2016).
M.W. Ullah, D.S. Aidhy, Y. Zhang, and W.J. Weber: Damage accumulation in ion-irradiated Ni-based concentrated solid solution alloys. Acta Mater. 109, 17–22 (2016).
G.P. Purja Pun, V. Yamakov, and Y. Mishin: Interatomic potential for the ternary Ni–Al–Co system and application to atomistic modeling of the B2–L10 martensitic transformation. Model. Simul. Mater. Sci. Eng. 23, 065006 (2015).
G. Bonny, R.C. Pasianot, and L. Malerba: Fe–Ni many-body potential for metallurgical applications. Model. Simul. Mater. Sci. Eng. 17, 025010 (2009).
J. Silcox and P.B. Hirsch: Direct observations of defects in quenched gold. Philos. Mag. 4, 72–89 (1959).
Y.N. Osetsky and D.J. Bacon: Defect cluster formation in displacement cascades in copper. Nucl. Instrum. Methods Phys. Res., Sect. B 180, 85–90 (2001).
M. de Jong and J.S. Koehler: Annealing of pure gold quenched from above 800 °C. Phys. Rev. 129, 49–61 (1963).
R.A. Johnson: Calculations of small vacancy and interstitial clusters for an fcc lattice. Physical Review 152(2), 629 (1966).
W. Schüle, R. Scholz, and A. Panzarasa: Properties of vacancies and divacancies in FCC metals (Commission of the European Communities, ECSC-EEC-EAEC, Brussels-Luxembourg, Belgium, 1979); p. 21, ISBN 92-825-0781-5 Catalogue number: CD-NA-79-001-EN-C.
R. Scholz and W. Schule: Properties of single vacancies and of divacancies in copper. Phys. Lett. A 64, 340–341 (1977).
N.Q. Lam, N.V. Doan, and L. Dagens: Multiple defects in copper and silver. J. Phys. F: Met. Phys. 15, 799–808 (1985).
Y.N. Osetsky, D.J. Bacon, A. Serra, B.N. Singh, and S.I. Golubov: Stability and mobility of defect clusters and dislocation loops in metals. J. Nucl. Mater. 276, 65–77 (2000).
E. Martínez and B.P. Uberuaga: Mobility and coalescence of stacking fault tetrahedra in Cu. Sci. Rep. 5, 9084 (2015) DOI: https://doi.org/10.1038/srep09084.
L.K. Béland, P. Brommer, F. El-Mellouhi, J-F. Joly, and N. Mousseau: Kinetic activation relaxation technique. Phys. Rev. B: Condens. Matter Mater. Phys. 84, 4 (2011).
N. Mousseau, L.K. Béland, P.B. Rommer, F. El-Mellouhi, J-F. Joly, G.K. N’Tsouaglo, O. Restrepo, and M. Trochet: Following atomistic kinetics on experimental timescales with the kinetic activation–relaxation technique. Comput. Mater. Sci. 100, 111–123 (2015).
P. Brommer, L.K. Beland, J-F. Joly, and N. Mousseau: Understanding long-time vacancy aggregation in iron: A kinetic activation-relaxation technique study. Phys. Rev. B: Condens. Matter Mater. Phys. 90, 134109 (2014).
L.K. Béland, Y.N. Osetsky, R.E. Stoller, and H. Xu: Slow relaxation of cascade-induced defects in Fe. Phys. Rev. B 91, 054108 (2015).
L.K. Béland, Y.N. Osetsky, R.E. Stoller, and H. Xu: Kinetic activation–relaxation technique and self-evolving atomistic kinetic Monte Carlo: Comparison of on-the-fly kinetic Monte Carlo algorithms. Comput. Mater. Sci. 100, 124–134 (2015).
L.K. Béland, Y.N. Osetsky, R.E. Stoller, and H. Xu: Interstitial loop transformations in FeCr. J. Alloys Compd. 640, 219–225 (2015).
F. Granberg, K. Nordlundl, M.W. Ullah, K. Jin, C. Lu, H. Bei, L. Wang, F. Djurabekova, W.J. Weber, and Y. Zhang: Mechanism of radiation damage reduction in equiatomic multicomponent single phase alloys. Phys. Rev. Lett. 116, 135504 (2016).
Y. Zhang, M.L. Crespillo, H. Xue, K. Jin, C.H. Chen, C.L. Fontana, J.T. Graham, and W.J. Weber: New ion beam materials laboratory for materials modification and irradiation effects research. Nucl. Instrum. Methods Phys. Res., Sect. B 338, 19–30 (2014).
ACKNOWLEDGMENTS
This work was supported as part of the Energy Dissipation to Defect Evolution (EDDE), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences. Ion beam work was performed at the University of Tennessee–Oak Ridge National Laboratory Ion Beam Materials Laboratory (IBML) located at the campus of the University of Tennessee, Knoxville. This simulation used resources of the National Energy Research Scientific Computing Center, supported by the Office of Science, US Department of Energy, under Contract No. DEAC02–05CH11231. LKB acknowledgs additional support from a fellowship awarded by the Fonds Québéecois de recherche Nature et Technologies. This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (http://energy.gov/downloads/doe-public-access-plan).
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Zhang, Y., Jin, K., Xue, H. et al. Influence of chemical disorder on energy dissipation and defect evolution in advanced alloys. Journal of Materials Research 31, 2363–2375 (2016). https://doi.org/10.1557/jmr.2016.269
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DOI: https://doi.org/10.1557/jmr.2016.269