Pressure-induced fcc to hcp phase transition in Ni-based high entropy solid solution alloys

Zhang, Fuxiang; Zhao, Shijun; Jin, Ke; Bei, Hongbin; Popov, Dimitry; Park, Changyong; Neuefeind, Joerg C.; Weber, William J.; Zhang, Yanwen

doi:10.1063/1.4973627

Title: Pressure-induced fcc to hcp phase transition in Ni-based high entropy solid solution alloys

Journal Article · Wed Jan 04 00:00:00 EST 2017 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4973627· OSTI ID:1338551

Zhang, Fuxiang ^[1]; Zhao, Shijun ^[1]; Jin, Ke ^[1];

^[1]; Popov, Dimitry ^[2];

^[2];

^[3];

^[4]; Zhang, Yanwen ^[4]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Division of Materials Science and Technology
Carnegie Inst. of Washington, Argonne, IL (United States). Geophysical Lab., High Pressure Collaborative Access Team (HPCAT)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Division of Materials Science and Technology; Univ. of Tennessee, Knoxville, TN (United States). Department of Materials Science and Engineering

In this research, pressure-induced phase transition from the fcc to a hexagonal close-packed (hcp) structure wasfound in NiCoCrFe solid solution alloy starting at 13.5 GPa. The phase transition is very sluggish and the transition did not complete at ~ 40 GPa. The hcp structure is quenchable to ambient pressure. Only a very small amount (<5%) of hcp phase was found in the isostructural NiCoCr ternary alloy up to the pressure of 45 GPa and no obvious hcp phase was found in NiCoCrFePd system till to 74 GPa. Ab initio Gibbs free energy calculations indicated the energy differences between the fcc and the hcp phases for the three alloys are very small, but they are sensitive to temperature. Finally, the critical transition pressure in NiCoCrFe varies from 1 GPa at room temperature to 6 GPa at 500 K.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC05-00OR22725; NA0001974; FG02-99ER45775; AC02-06CH11357

OSTI ID:: 1338551

Journal Information:: Applied Physics Letters, Vol. 110, Issue 1; ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 72 works

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References (37)

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
Gibbs2: A new version of the quasiharmonic model code. II. Models for solid-state thermodynamics, features and implementation Otero-de-la-Roza, A.; Abbasi-Pérez, David; Luaña, Víctor Computer Physics Communications, Vol. 182, Issue 10 https://doi.org/10.1016/j.cpc.2011.05.009	journal	October 2011
High-Entropy Alloys with a Hexagonal Close-Packed Structure Designed by Equi-Atomic Alloy Strategy and Binary Phase Diagrams Takeuchi, Akira; Amiya, Kenji; Wada, Takeshi JOM, Vol. 66, Issue 10 https://doi.org/10.1007/s11837-014-1085-x	journal	July 2014
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
Refractory high-entropy alloys Senkov, O. N.; Wilks, G. B.; Miracle, D. B. Intermetallics, Vol. 18, Issue 9 https://doi.org/10.1016/j.intermet.2010.05.014	journal	September 2010
Quasiharmonic and molecular-dynamics study of the martensitic transformation in Ni-Al alloys Rubini, Silvia; Ballone, Pietro Physical Review B, Vol. 48, Issue 1 https://doi.org/10.1103/PhysRevB.48.99	journal	July 1993
The Orthorhombic Structure of Iron: An in Situ Study at High-Temperature and High-Pressure Andrault, D. Science, Vol. 278, Issue 5339 https://doi.org/10.1126/science.278.5339.831	journal	October 1997
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
Microstructures and properties of high-entropy alloys Zhang, Yong; Zuo, Ting Ting; Tang, Zhi Progress in Materials Science, Vol. 61 https://doi.org/10.1016/j.pmatsci.2013.10.001	journal	April 2014
Noblest of All Metals Is Structurally Unstable at High Pressure Dubrovinsky, L.; Dubrovinskaia, N.; Crichton, W. A. Physical Review Letters, Vol. 98, Issue 4 https://doi.org/10.1103/PhysRevLett.98.045503	journal	January 2007
Unit cell refinement from powder diffraction data: the use of regression diagnostics Holland, T. J. B.; Redfern, S. A. T. Mineralogical Magazine, Vol. 61, Issue 404 https://doi.org/10.1180/minmag.1997.061.404.07	journal	February 1997
Mechanical Properties and Stacking Fault Energies of NiFeCrCoMn High-Entropy Alloy Zaddach, A. J.; Niu, C.; Koch, C. C. JOM, Vol. 65, Issue 12 https://doi.org/10.1007/s11837-013-0771-4	journal	October 2013
The Compressibility of Media under Extreme Pressures Murnaghan, F. D. Proceedings of the National Academy of Sciences, Vol. 30, Issue 9 https://doi.org/10.1073/pnas.30.9.244	journal	September 1944
Electronic structure and magnetism in compressed 3d transition metals Iota, Valentin; Klepeis, Jae-Hyun Park; Yoo, Choong-Shik Applied Physics Letters, Vol. 90, Issue 4 https://doi.org/10.1063/1.2434184	journal	January 2007
Metastable high-entropy dual-phase alloys overcome the strength–ductility trade-off Li, Zhiming; Pradeep, Konda Gokuldoss; Deng, Yun Nature, Vol. 534, Issue 7606 https://doi.org/10.1038/nature17981	journal	May 2016
Finite strain isotherm and velocities for single-crystal and polycrystalline NaCl at high pressures and 300°K Birch, Francis Journal of Geophysical Research, Vol. 83, Issue B3, p. 1257-1268 https://doi.org/10.1029/JB083iB03p01257	journal	January 1978
Pressure-Induced Disordering and Anomalous Lattice Expansion in ${La}_{2} {Zr}_{2} O_{7}$ Pyrochlore Zhang, F. X.; Lang, M.; Liu, Zhenxian Physical Review Letters, Vol. 105, Issue 1 https://doi.org/10.1103/PhysRevLett.105.015503	journal	June 2010
Ab initio investigation of high-entropy alloys of 3 $d$ elements Tian, Fuyang; Varga, Lajos Karoly; Chen, Nanxian Physical Review B, Vol. 87, Issue 7 https://doi.org/10.1103/PhysRevB.87.075144	journal	February 2013
The Thermal Expansion of Solids Dugdale, J. S.; MacDonald, D. K. C. Physical Review, Vol. 89, Issue 4 https://doi.org/10.1103/PhysRev.89.832	journal	February 1953
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
High-Pressure Polymorph of Iron Takahashi, T.; Bassett, W. A. Science, Vol. 145, Issue 3631 https://doi.org/10.1126/science.145.3631.483	journal	July 1964
Pressure-Induced Isostructural Phase Transition in Al-Rich NiAl Alloys Alavi, Ali; Lozovoi, Alexander Y.; Finnis, Michael W. Physical Review Letters, Vol. 83, Issue 5 https://doi.org/10.1103/PhysRevLett.83.979	journal	August 1999
Experimental Evidence for a New Iron Phase and Implications for Earth's Core Saxena, S. K.; Shen, G.; Lazor, P. Science, Vol. 260, Issue 5112 https://doi.org/10.1126/science.260.5112.1312	journal	May 1993
Pressure-Induced Invar Effect in Fe-Ni Alloys Dubrovinsky, Leonid; Dubrovinskaia, Natalia; Abrikosov, Igor A. Physical Review Letters, Vol. 86, Issue 21 https://doi.org/10.1103/PhysRevLett.86.4851	journal	May 2001
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
Phase Stability and Pressure Dependence of Defect Formation in ${Gd}_{2} {Ti}_{2} O_{7}$ and ${Gd}_{2} {Zr}_{2} O_{7}$ Pyrochlores Zhang, F. X.; Wang, J. W.; Lian, J. Physical Review Letters, Vol. 100, Issue 4 https://doi.org/10.1103/PhysRevLett.100.045503	journal	January 2008
Atomistic material behavior at extreme pressures Béland, Laurent Karim; Osetsky, Yuri N.; Stoller, Roger E. npj Computational Materials, Vol. 2, Issue 1 https://doi.org/10.1038/npjcompumats.2016.7	journal	August 2016
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
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
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
New $β$ (fcc)-Cobalt to 210 GPa Yoo, C. S.; Cynn, H.; Söderlind, P. Physical Review Letters, Vol. 84, Issue 18 https://doi.org/10.1103/PhysRevLett.84.4132	journal	May 2000
Hyperfine Splitting and Room-Temperature Ferromagnetism of Ni at Multimegabar Pressure Sergueev, I.; Dubrovinsky, L.; Ekholm, M. Physical Review Letters, Vol. 111, Issue 15 https://doi.org/10.1103/PhysRevLett.111.157601	journal	October 2013
Absence of long-range chemical ordering in equimolar FeCoCrNi Lucas, M. S.; Wilks, G. B.; Mauger, L. Applied Physics Letters, Vol. 100, Issue 25 https://doi.org/10.1063/1.4730327	journal	June 2012
Gibbs2: A new version of the quasi-harmonic model code. I. Robust treatment of the static data Otero-de-la-Roza, A.; Luaña, Víctor Computer Physics Communications, Vol. 182, Issue 8 https://doi.org/10.1016/j.cpc.2011.04.016	journal	August 2011
Ab initio thermodynamics of the CoCrFeMnNi high entropy alloy: Importance of entropy contributions beyond the configurational one Ma, Duancheng; Grabowski, Blazej; Körmann, Fritz Acta Materialia, Vol. 100 https://doi.org/10.1016/j.actamat.2015.08.050	journal	November 2015
Relative effects of enthalpy and entropy on the phase stability of equiatomic high-entropy alloys Otto, F.; Yang, Y.; Bei, H. Acta Materialia, Vol. 61, Issue 7 https://doi.org/10.1016/j.actamat.2013.01.042	journal	April 2013
Steel Metallurgy for the Non-Metallurgist Verhoeven, John D. https://doi.org/10.31399/asm.tb.smnm.9781627082648	book	November 2007

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