Ab Initio Modeling of fcc Fe-Co-Cr-Ni High Entropy Alloys with Full Composition Range

Yang, Songge; Zhong, Yu

doi:10.1007/s11669-021-00905-w

Ab Initio Modeling of fcc Fe-Co-Cr-Ni High Entropy Alloys with Full Composition Range

Journal Article · Mon Jul 12 00:00:00 EDT 2021 · Journal of Phase Equilibria and Diffusion

DOI:https://doi.org/10.1007/s11669-021-00905-w· OSTI ID:1878465

Yang, Songge ^[1]; Zhong, Yu ^[2]

Worcester Polytechnic Inst., MA (United States); Worcester Polytechnic Institute
Worcester Polytechnic Inst., MA (United States)

The Fe-Co-Cr-Ni quaternary system has been studied extensively in the past decade, not only because of the superior properties achieved like high tensile ductility and fracture toughness, but also it is the foundation for the development of FeCrCoNi-based HEAs. However, most of the investigations are mainly focusing on the equiatomic and semi-equiatomic compositions. The physical properties of non-equiatomic compositions are barely explored. In the current work, the ab initio approach is adopted to predict the lattice parameter, structure stabilities, elastic properties, and enthalpy of formations of fcc Fe-Cr-Co-Ni HEA single crystals with the special quasirandom structure (SQS) method. To expand the design of Fe-Co-Cr-Ni HEAs into a full composition range, the current simulations cover all the binaries, ternaries, and the whole quaternary system. The 2-D composition-property contour diagrams are created to show the physical properties in the ternary and quaternary systems. Furthermore, our investigation shows that the fcc alloys' lattice parameter increases with the addition of Fe and Cr and decreases with Ni and Co. In addition to the enthalpy of formation at o K, the shape distortion rate is proposed to be another essential parameter to evaluate crystal stability. The results show the addition of Cr would destabilize the fcc lattice and cause symmetry breaking. Finally, the result of Pugh’s ratio shows that most of the fcc alloys show ductile behavior (P > 1.75), especially for the alloys around Fe₃Ni, FeCo, and Fe₂NiCo (P > 2.5). The brittle behavior (P < 1.75) is located around Fe₃Cr and Fe₂CoCr. Meanwhile, Cr₂NiCo and Cr₂FeNiCo are considered promising compositions to be tried and verified experimentally because of the higher bulk modulus and moderate shear modulus.

View Accepted Manuscript (DOE)

Research Organization:: Florida International Univ. (FIU), Miami, FL (United States)

Sponsoring Organization:: USDOE; Extreme Science and Engineering Discovery Environment (XSEDE)

Grant/Contract Number:: FE0030585

OSTI ID:: 1878465

Journal Information:: Journal of Phase Equilibria and Diffusion, Journal Name: Journal of Phase Equilibria and Diffusion Journal Issue: 5 Vol. 42; ISSN 1547-7037

Publisher:: ASM InternationalCopyright Statement

Country of Publication:: United States

Language:: English

References (84)

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
The Elastic Behaviour of NiCo Alloys Leamy, H. J.; Warlimont, H. physica status solidi (b), Vol. 37, Issue 2 https://doi.org/10.1002/pssb.19700370203	journal	January 1970
High-Entropy Alloys Gao, Michael C.; Yeh, Jien-Wei; Liaw, Peter K. https://doi.org/10.1007/978-3-319-27013-5	book	January 2016
First-Principles Calculations and CALPHAD Modeling of Thermodynamics Liu, Zi-Kui Journal of Phase Equilibria and Diffusion, Vol. 30, Issue 5 https://doi.org/10.1007/s11669-009-9570-6	journal	September 2009
Thermal Expansion, Elastic and Magnetic Properties of FeCoNiCu-Based High-Entropy Alloys Using First-Principle Theory Huang, Shuo; Vida, Ádám; Heczel, Anita JOM, Vol. 69, Issue 11 https://doi.org/10.1007/s11837-017-2565-6	journal	August 2017
Lattice parameter studies of structure changes of NiCr alloys in the region of Ni2Cr Karmazin, L. Materials Science and Engineering, Vol. 54, Issue 2 https://doi.org/10.1016/0025-5416(82)90119-7	journal	July 1982
Assessing the thermodynamics of the FeCONi system using a calphad predictive technique Guillermet, A. Fernández Calphad, Vol. 13, Issue 1 https://doi.org/10.1016/0364-5916(89)90034-5	journal	January 1989
SGTE data for pure elements Dinsdale, A. T. Calphad, Vol. 15, Issue 4 https://doi.org/10.1016/0364-5916(91)90030-N	journal	October 1991
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
The thermodynamic properties of iron + cobalt alloys I. Calorimetric study of the solid alloys Müller, Franz; Hayes, F. H. The Journal of Chemical Thermodynamics, Vol. 3, Issue 5 https://doi.org/10.1016/S0021-9614(71)80081-2	journal	September 1971
The alloy theoretic automated toolkit: A user guide van de Walle, A.; Asta, M.; Ceder, G. Calphad, Vol. 26, Issue 4 https://doi.org/10.1016/S0364-5916(02)80006-2	journal	December 2002
Phase stability in high entropy alloys: Formation of solid-solution phase or amorphous phase Guo, Sheng; Liu, C. T. Progress in Natural Science: Materials International, Vol. 21, Issue 6 https://doi.org/10.1016/S1002-0071(12)60080-X	journal	December 2011
Phase equilibria in the Fe–Co binary system Ohnuma, Ikuo; Enoki, Hirotoshi; Ikeda, Osamu Acta Materialia, Vol. 50, Issue 2 https://doi.org/10.1016/S1359-6454(01)00337-8	journal	January 2002
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
A precipitation-hardened high-entropy alloy with outstanding tensile properties He, J. Y.; Wang, H.; Huang, H. L. Acta Materialia, Vol. 102 https://doi.org/10.1016/j.actamat.2015.08.076	journal	January 2016
Ductile CoCrFeNiMox high entropy alloys strengthened by hard intermetallic phases Liu, W. H.; Lu, Z. P.; He, J. Y. Acta Materialia, Vol. 116 https://doi.org/10.1016/j.actamat.2016.06.063	journal	September 2016
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
Elastic properties of Al CrMnFeCoNi (0 ≤ x ≤ 5) high-entropy alloys from ab initio theory Zhang, Hualei; Sun, Xun; Lu, Song Acta Materialia, Vol. 155 https://doi.org/10.1016/j.actamat.2018.05.050	journal	August 2018
First-principles and machine learning predictions of elasticity in severely lattice-distorted high-entropy alloys with experimental validation Kim, George; Diao, Haoyan; Lee, Chanho Acta Materialia, Vol. 181 https://doi.org/10.1016/j.actamat.2019.09.026	journal	December 2019
Revisit the VEC rule in high entropy alloys (HEAs) with high-throughput CALPHAD approach and its applications for material design-A case study with Al–Co–Cr–Fe–Ni system Yang, Songge; Lu, Jun; Xing, Fangzhou Acta Materialia, Vol. 192 https://doi.org/10.1016/j.actamat.2020.03.039	journal	June 2020
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
Thermodynamic re-assessment of the Co–Cr system supported by first-principles calculations Li, Zhou; Mao, Huahai; Korzhavyi, Pavel A. Calphad, Vol. 52 https://doi.org/10.1016/j.calphad.2015.10.013	journal	March 2016
Using the PARROT module of Thermo-Calc with the Cr–Ni system as example Tang, Florian; Hallstedt, Bengt Calphad, Vol. 55 https://doi.org/10.1016/j.calphad.2016.10.003	journal	December 2016
Modified embedded-atom interatomic potential for Fe-Ni, Cr-Ni and Fe-Cr-Ni systems Wu, Changjun; Lee, Byeong-Joo; Su, Xuping Calphad, Vol. 57 https://doi.org/10.1016/j.calphad.2017.03.007	journal	June 2017
A thermodynamic description of the Co-Cr-Fe-Ni-V system for high-entropy alloy design Choi, Won-Mi; Jo, Yong Hee; Kim, Dong Geun Calphad, Vol. 66 https://doi.org/10.1016/j.calphad.2019.05.001	journal	September 2019
The Fe–Ni system: Thermodynamic modelling assisted by atomistic calculations Cacciamani, G.; Dinsdale, A.; Palumbo, M. Intermetallics, Vol. 18, Issue 6 https://doi.org/10.1016/j.intermet.2010.02.026	journal	June 2010
Effects of Nb additions on the microstructure and mechanical property of CoCrFeNi high-entropy alloys Liu, W. H.; He, J. Y.; Huang, H. L. Intermetallics, Vol. 60 https://doi.org/10.1016/j.intermet.2015.01.004	journal	May 2015
On the influence of Mn on the phase stability of the CrMnxFeCoNi high entropy alloys Christofidou, K. A.; Pickering, E. J.; Orsatti, P. Intermetallics, Vol. 92 https://doi.org/10.1016/j.intermet.2017.09.011	journal	January 2018
Microstructure, mechanical properties and corrosion resistance of CoCrFeNiW (x = 0, 0.2, 0.5) high entropy alloys Niu, Zuozhe; Xu, Juan; Wang, Tao Intermetallics, Vol. 112 https://doi.org/10.1016/j.intermet.2019.106550	journal	September 2019
Microstructure and mechanical property of as-cast, -homogenized, and -deformed AlxCoCrFeNi (0≤x≤2) high-entropy alloys Kao, Yih-Farn; Chen, Ting-Jie; Chen, Swe-Kai Journal of Alloys and Compounds, Vol. 488, Issue 1 https://doi.org/10.1016/j.jallcom.2009.08.090	journal	November 2009
Effect of Re content on elastic properties of B2 NiAl from ab initio calculations Ponomareva, A. V.; Vekilov, Yu. Kh.; Abrikosov, I. A. Journal of Alloys and Compounds, Vol. 586 https://doi.org/10.1016/j.jallcom.2012.12.103	journal	February 2014
Effects of alloying elements and temperature on the elastic properties of W-based alloys by first-principles calculations Hu, Yong-Jie; Shang, Shun-Li; Wang, Yi Journal of Alloys and Compounds, Vol. 671 https://doi.org/10.1016/j.jallcom.2016.02.018	journal	June 2016
First principles exploration of near-equiatomic NiFeCrCo high entropy alloys Niu, C.; Zaddach, A. J.; Koch, C. C. Journal of Alloys and Compounds, Vol. 672 https://doi.org/10.1016/j.jallcom.2016.02.108	journal	July 2016
An ab initio and experimental studies of the structure, mechanical parameters and state density on the refractory high-entropy alloy systems Mu, Yongkun; Liu, Hongxi; Liu, Yahui Journal of Alloys and Compounds, Vol. 714 https://doi.org/10.1016/j.jallcom.2017.04.237	journal	August 2017
Elastic moduli and thermal expansion coefficients of medium-entropy subsystems of the CrMnFeCoNi high-entropy alloy Laplanche, G.; Gadaud, P.; Bärsch, C. Journal of Alloys and Compounds, Vol. 746 https://doi.org/10.1016/j.jallcom.2018.02.251	journal	May 2018
Vacancy formation enthalpies of high-entropy FeCoCrNi alloy via first-principles calculations and possible implications to its superior radiation tolerance Chen, Weiliang; Ding, Xueyong; Feng, Yuchao Journal of Materials Science & Technology, Vol. 34, Issue 2 https://doi.org/10.1016/j.jmst.2017.11.005	journal	February 2018
Microstructure and mechanical properties of multiprincipal component CoCrFeNiMox alloys Shun, Tao-Tsung; Chang, Liang-Yi; Shiu, Ming-Hua Materials Characterization, Vol. 70 https://doi.org/10.1016/j.matchar.2012.05.005	journal	August 2012
Ab initio phase stabilities and mechanical properties of multicomponent alloys: A comprehensive review for high entropy alloys and compositionally complex alloys Ikeda, Yuji; Grabowski, Blazej; Körmann, Fritz Materials Characterization, Vol. 147 https://doi.org/10.1016/j.matchar.2018.06.019	journal	January 2019
Effects of Ta addition on the microstructures and mechanical properties of CoCrFeNi high entropy alloy Jiang, Hui; Han, Kaiming; Qiao, Dongxu Materials Chemistry and Physics, Vol. 210 https://doi.org/10.1016/j.matchemphys.2017.05.056	journal	May 2018
Microstructure and mechanical properties of non-equilibrium solidified CoCrFeNi high entropy alloy Wang, Jun; Guo, Tong; Li, Jinshan Materials Chemistry and Physics, Vol. 210 https://doi.org/10.1016/j.matchemphys.2017.06.037	journal	May 2018
Precipitation hardening in CoCrFeNi-based high entropy alloys Liu, W. H.; Yang, T.; Liu, C. T. Materials Chemistry and Physics, Vol. 210 https://doi.org/10.1016/j.matchemphys.2017.07.037	journal	May 2018
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
Intrinsic properties and strengthening mechanism of monocrystalline Ni-containing ternary concentrated solid solutions Jin, K.; Gao, Y. F.; Bei, H. Materials Science and Engineering: A, Vol. 695 https://doi.org/10.1016/j.msea.2017.04.003	journal	May 2017
Enthalpies and elastic properties of Ni-Co binary system by ab initio calculations and an energy comparison with the CALPHAD approach Asadikiya, Mohammad; Drozd, Vadym; Yang, Songge Materials Today Communications, Vol. 23 https://doi.org/10.1016/j.mtcomm.2020.100905	journal	June 2020
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
Quantitative determination of the lattice constant in high entropy alloys Wang, Zhijun; Wu, Qingfeng; Zhou, Wenquan Scripta Materialia, Vol. 162 https://doi.org/10.1016/j.scriptamat.2018.12.022	journal	March 2019
Composition, morphology, structural aspects and electrochemical properties of Ni–Co alloy coatings Lupi, C.; Dell'Era, A.; Pasquali, M. Surface and Coatings Technology, Vol. 205, Issue 23-24 https://doi.org/10.1016/j.surfcoat.2011.06.002	journal	September 2011
Heats of formation and heat capacities in the system iron-nickel-chromium Kubaschewski, Oswald; Stuart, L. E. H. Journal of Chemical & Engineering Data, Vol. 12, Issue 3 https://doi.org/10.1021/je60034a035	journal	July 1967
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
The free energy of mechanically unstable phases van de Walle, A.; Hong, Q.; Kadkhodaei, S. Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms8559	journal	July 2015
Poisson's ratio and modern materials Greaves, G. N.; Greer, A. L.; Lakes, R. S. Nature Materials, Vol. 10, Issue 11 https://doi.org/10.1038/nmat3134	journal	October 2011
Short-range order and its impact on the CrCoNi medium-entropy alloy Zhang, Ruopeng; Zhao, Shiteng; Ding, Jun Nature, Vol. 581, Issue 7808 https://doi.org/10.1038/s41586-020-2275-z	journal	May 2020
First-principles elastic constants of α- and θ-Al2O3 Shang, Shunli; Wang, Yi; Liu, Zi-Kui Applied Physics Letters, Vol. 90, Issue 10 https://doi.org/10.1063/1.2711762	journal	March 2007
Clarification of the Hashin‐Shtrikman bounds on the effective elastic moduli of polycrystals with hexagonal, trigonal, and tetragonal symmetries Watt, J. Peter; Peselnick, Louis Journal of Applied Physics, Vol. 51, Issue 3 https://doi.org/10.1063/1.327804	journal	March 1980
Comment on ‘‘The elastic stiffness coefficients of nickel‐iron single‐crystal alloys at room temperature’’ Ledbetter, H. M. Journal of Applied Physics, Vol. 57, Issue 11 https://doi.org/10.1063/1.335285	journal	June 1985
Elastic constants of face-centered-cubic cobalt Gump, J.; Xia, Hua; Chirita, M. Journal of Applied Physics, Vol. 86, Issue 11 https://doi.org/10.1063/1.371647	journal	December 1999
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
Phase Equilibria and Thermodynamic Properties in the Fe-Cr System Xiong, Wei; Selleby, Malin; Chen, Qing Critical Reviews in Solid State and Materials Sciences, Vol. 35, Issue 2 https://doi.org/10.1080/10408431003788472	journal	May 2010
A first-principles theory of ferromagnetic phase transitions in metals Gyorffy, B. L.; Pindor, A. J.; Staunton, J. Journal of Physics F: Metal Physics, Vol. 15, Issue 6 https://doi.org/10.1088/0305-4608/15/6/018	journal	June 1985
Theoretical strength and charge redistribution of fcc Ni in tension and shear Liu, Yue-Lin; Zhang, Ying; Zhou, Hong-Bo Journal of Physics: Condensed Matter, Vol. 20, Issue 33 https://doi.org/10.1088/0953-8984/20/33/335216	journal	July 2008
A first-principles approach to finite temperature elastic constants Wang, Y.; Wang, J. J.; Zhang, H. Journal of Physics: Condensed Matter, Vol. 22, Issue 22 https://doi.org/10.1088/0953-8984/22/22/225404	journal	May 2010
Electronic structure and elasticity of Z-phases in the Cr–Nb–V–N system Legut, Dominik; Pavlů, Jana Journal of Physics: Condensed Matter, Vol. 24, Issue 19 https://doi.org/10.1088/0953-8984/24/19/195502	journal	April 2012
Electronic and magnetic structure of idealized metallic multilayers: Ni 3 Fe-FeMn system Lambin, Ph.; Herman, F. Physical Review B, Vol. 30, Issue 12 https://doi.org/10.1103/PhysRevB.30.6903	journal	December 1984
Lattice dynamics of γ -Fe Zarestky, J.; Stassis, C. Physical Review B, Vol. 35, Issue 9 https://doi.org/10.1103/PhysRevB.35.4500	journal	March 1987
Calculated thermal properties of metals Moruzzi, V. L.; Janak, J. F.; Schwarz, K. Physical Review B, Vol. 37, Issue 2 https://doi.org/10.1103/PhysRevB.37.790	journal	January 1988
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation Perdew, John P.; Chevary, J. A.; Vosko, S. H. Physical Review B, Vol. 46, Issue 11 https://doi.org/10.1103/PhysRevB.46.6671	journal	September 1992
Unusual stability of fcc Co(110)/Cu(110) Harp, G. R.; Farrow, R. F. C.; Weller, D. Physical Review B, Vol. 48, Issue 23 https://doi.org/10.1103/PhysRevB.48.17538	journal	December 1993
Improved tetrahedron method for Brillouin-zone integrations Blöchl, Peter E.; Jepsen, O.; Andersen, O. K. Physical Review B, Vol. 49, Issue 23 https://doi.org/10.1103/PhysRevB.49.16223	journal	June 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
First-principles elastic constants for the hcp transition metals Fe, Co, and Re at high pressure Steinle-Neumann, Gerd; Stixrude, Lars; Cohen, Ronald E. Physical Review B, Vol. 60, Issue 2 https://doi.org/10.1103/PhysRevB.60.791	journal	July 1999
Total-energy method based on the exact muffin-tin orbitals theory Vitos, L. Physical Review B, Vol. 64, Issue 1 https://doi.org/10.1103/PhysRevB.64.014107	journal	June 2001
First-principles study of binary bcc alloys using special quasirandom structures Jiang, Chao; Wolverton, C.; Sofo, Jorge Physical Review B, Vol. 69, Issue 21 https://doi.org/10.1103/PhysRevB.69.214202	journal	June 2004
Thermodynamic properties of binary hcp solution phases from special quasirandom structures Shin, Dongwon; Arróyave, Raymundo; Liu, Zi-Kui Physical Review B, Vol. 74, Issue 2 https://doi.org/10.1103/PhysRevB.74.024204	journal	July 2006
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
Local order in Cr-Fe-Co-Ni: Experiment and electronic structure calculations Schönfeld, B.; Sax, C. R.; Zemp, J. Physical Review B, Vol. 99, Issue 1 https://doi.org/10.1103/PhysRevB.99.014206	journal	January 2019
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
Magnetism and Local Distortions near Carbon Impurity in γ -Iron Boukhvalov, D. W.; Gornostyrev, Yu. N.; Katsnelson, M. I. Physical Review Letters, Vol. 99, Issue 24 https://doi.org/10.1103/PhysRevLett.99.247205	journal	December 2007
Local lattice distortion in high-entropy alloys Song, Hongquan; Tian, Fuyang; Hu, Qing-Miao Physical Review Materials, Vol. 1, Issue 2 https://doi.org/10.1103/PhysRevMaterials.1.023404	journal	July 2017
Tetragonal fcc-Fe induced by κ -carbide precipitates: Atomic scale insights from correlative electron microscopy, atom probe tomography, and density functional theory Liebscher, Christian H.; Yao, Mengji; Dey, Poulumi Physical Review Materials, Vol. 2, Issue 2 https://doi.org/10.1103/PhysRevMaterials.2.023804	journal	February 2018
Spontaneous Volume Magnetostriction and Lattice Constant of Face-Centered Cubic Fe-Ni and Ni-Cu Alloys Hayase, Masutaro; Shiga, Masayuki; Nakamura, Yoji Journal of the Physical Society of Japan, Vol. 34, Issue 4 https://doi.org/10.1143/JPSJ.34.925	journal	April 1973
The Determination of the Thermodynamic Properties of Cobalt–Chromium Alloys Using Solid-Electrolyte EMF and High-Temperature Calorimetric Techniques Bell, H. B.; Hajra, J. P.; Putland, F. H. Metal Science Journal, Vol. 7, Issue 1 https://doi.org/10.1179/030634573790445442	journal	January 1973
Heats of Formation and of Transformation in the System Nickel-Cobalt-Chromium Kubaschewski, Oswald; Hack, Klaus International Journal of Materials Research, Vol. 70, Issue 12 https://doi.org/10.1515/ijmr-1979-701206	journal	December 1979
Recent progress in high-entropy alloys Yeh, Jien-Wei Annales de Chimie Science des Matériaux, Vol. 31, Issue 6 https://doi.org/10.3166/acsm.31.633-648	journal	December 2006

Similar Records

The Novel Hybrid Ab Initio Model of High-Performance Structural Alloys Design for Fossil Energy Power Plants

Technical Report · Tue Sep 01 00:00:00 EDT 2020 · OSTI ID:1688397

Revisit the VEC rule in high entropy alloys (HEAs) with high-throughput CALPHAD approach and its applications for material design-A case study with Al–Co–Cr–Fe–Ni system

Journal Article · Sat Apr 11 00:00:00 EDT 2020 · Acta Materialia · OSTI ID:1669890

Related Subjects

36 MATERIALS SCIENCE
Fe-Co-Cr-Ni system
ab initio
elastic properties
fcc phase
high entropy alloys

Ab Initio Modeling of fcc Fe-Co-Cr-Ni High Entropy Alloys with Full Composition Range

Citation Formats

References (84)

Similar Records

Related Subjects