Guidelines in predicting phase formation of high-entropy alloys

Abstract With multiple elements mixed at equal or near-equal molar ratios, the emerging, high-entropy alloys (HEAs), also named multi-principalelements alloys (MEAs), have posed tremendous challenges to materials scientists and physicists, e.g., how to predict high-entropy phaseformation and design alloys. In this paper, we propose some guidelines in predicting phase formation, using thermodynamic and topologicalparameters of the constituent elements. This guideline together with the existing ones will pave the way toward the composition design ofMEAs and HEAs, as well as property optimization based on the composition–structure–property relationship. The emerging high-entropy alloys (HEAs) have receivedincreasing attention in recent years. Unlike the traditionalalloys, which are typically based on one or two principalelements, HEAs contain multiple elements at equal or near-equal molar ratios. [1–8] The unusual composition can leadto the formation of an extensive solid solution in aface-centered-cubic (FCC) or a body-centered-cubic (BCC)structure as the only or matrix phase and accordingly uniqueproperties.

[1]  J. Yeh,et al.  Microstructure and wear behavior of AlxCo1.5CrFeNi1.5Tiy high-entropy alloys , 2011 .

[2]  Yong Zhang,et al.  Prediction of high-entropy stabilized solid-solution in multi-component alloys , 2012 .

[3]  Taketo Sakuma,et al.  Multifunctional Alloys Obtained via a Dislocation-Free Plastic Deformation Mechanism , 2003, Science.

[4]  J. Dubois.  Complex metallic alloys: Clarity through complexity. , 2010, Nature materials.

[5]  B. Cantor,et al.  Microstructural development in equiatomic multicomponent alloys , 2004 .

[6]  X. Yang,et al.  Alloy Design and Properties Optimization of High-Entropy Alloys , 2012 .

[7]  H. Bei,et al.  Relative effects of enthalpy and entropy on the phase stability of equiatomic high-entropy alloys , 2013 .

[8]  Takeshi Egami,et al.  Atomic size effect on the formability of metallic glasses , 1984 .

[9]  Yi Qiao,et al.  Novel microstructure and properties of multicomponent CoCrCuFeNiTix alloys , 2007 .

[10]  Jien-Wei Yeh,et al.  Fatigue behavior of Al0.5CoCrCuFeNi high entropy alloys , 2012 .

[11]  P. Liaw,et al.  High-entropy Alloys with High Saturation Magnetization, Electrical Resistivity, and Malleability , 2013, Scientific Reports.

[12]  Y. Zhou,et al.  Solid solution alloys of AlCoCrFeNiTix with excellent room-temperature mechanical properties , 2007 .

[13]  Brent Fultz,et al.  Vibrational thermodynamics of materials , 2010 .

[14]  T. Nieh,et al.  Incipient plasticity and dislocation nucleation of FeCoCrNiMn high-entropy alloy , 2013 .

[15]  T. Shun,et al.  Nanostructured High‐Entropy Alloys with Multiple Principal Elements: Novel Alloy Design Concepts and Outcomes , 2004 .

[16]  P. Liaw,et al.  Solid‐Solution Phase Formation Rules for Multi‐component Alloys , 2008 .

[17]  Takeshi Egami,et al.  Local Atomic Structure of a High-Entropy Alloy: An X-Ray and Neutron Scattering Study , 2013, Metallurgical and Materials Transactions A.

[18]  D. Miracle,et al.  Mechanical properties of Nb25Mo25Ta25W25 and V20Nb20Mo20Ta20W20 refractory high entropy alloys , 2011 .

[19]  Nikita Stepanov,et al.  Tensile properties of an AlCrCuNiFeCo high-entropy alloy in as-cast and wrought conditions , 2012 .

[20]  Michael C. Gao,et al.  A Successful Synthesis of the CoCrFeNiAl0.3 Single-Crystal, High-Entropy Alloy by Bridgman Solidification , 2013 .

[21]  K. Dahmen,et al.  Microstructures and properties of high-entropy alloys , 2014 .

[22]  A. L. Greer,et al.  Confusion by design , 1993, Nature.

[23]  Karin A. Dahmen,et al.  Aluminum Alloying Effects on Lattice Types, Microstructures, and Mechanical Behavior of High-Entropy Alloys Systems , 2013 .

[24]  Yong Zhang,et al.  Minor alloying behavior in bulk metallic glasses and high-entropy alloys , 2008 .

[25]  L. Martyushev,et al.  Maximum entropy production principle in physics, chemistry and biology , 2006 .

[26]  S. Ranganathan,et al.  Alloyed pleasures: Multimetallic cocktails , 2003 .

[27]  Fu Lee Wang,et al.  Atomic packing efficiency and phase transition in a high entropy alloy , 2009 .

[28]  Iain Todd,et al.  Glass formation in a high entropy alloy system by design , 2012 .

[29]  C. Liu,et al.  Effect of valence electron concentration on stability of fcc or bcc phase in high entropy alloys , 2011 .

[30]  O. Delaire,et al.  Negative entropy of mixing for vanadium-platinum solutions. , 2004, Physical review letters.