Thermodynamic properties of refractory high entropy alloys

[1]  Yang Wang,et al.  An ab initio investgation of ideal tensile and shear strength of TiVNbMo high-entropy alloy , 2016 .

[2]  D. Raabe,et al.  Ab initio thermodynamics of the CoCrFeMnNi high entropy alloy: Importance of entropy contributions beyond the configurational one , 2015 .

[3]  P. Liaw,et al.  Deviation from high-entropy configurations in the atomic distributions of a multi-principal-element alloy , 2015, Nature Communications.

[4]  D. V. Louzguine-Luzgin,et al.  Experimental and theoretical study of Ti20Zr20Hf20Nb20X20 (X = V or Cr) refractory high-entropy alloys , 2014 .

[5]  Tao Wang,et al.  A refractory Hf25Nb25Ti25Zr25 high-entropy alloy with excellent structural stability and tensile properties , 2014 .

[6]  Wei Zhang,et al.  High-Entropy Alloys with a Hexagonal Close-Packed Structure Designed by Equi-Atomic Alloy Strategy and Binary Phase Diagrams , 2014 .

[7]  L. Edwards,et al.  Segregation and migration of species in the CrCoFeNi high entropy alloy , 2014 .

[8]  L. Vitos,et al.  Ab initio design of elastically isotropic TiZrNbMoVx high-entropy alloys , 2014 .

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

[10]  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.

[11]  G. Bozzolo,et al.  Determination of the transition to the high entropy regime for alloys of refractory elements , 2012 .

[12]  A. Otero-de-la-Roza,et al.  Gibbs2: A new version of the quasiharmonic model code. II. Models for solid-state thermodynamics, features and implementation , 2011, Comput. Phys. Commun..

[13]  A. Otero-de-la-Roza,et al.  Gibbs2: A new version of the quasi-harmonic model code. I. Robust treatment of the static data , 2011, Comput. Phys. Commun..

[14]  C. Woodward,et al.  Microstructure and Room Temperature Properties of a High-Entropy TaNbHfZrTi Alloy (Postprint) , 2011 .

[15]  P. Liaw,et al.  Refractory high-entropy alloys , 2010 .

[16]  Zi-kui Liu,et al.  First-principles thermodynamics from phonon and Debye model: Application to Ni and Ni3Al , 2010 .

[17]  L. Vitos Computational Quantum Mechanics for Materials Engineers: The EMTO Method and Applications , 2007 .

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

[19]  Víctor Luaña,et al.  GIBBS: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model☆ , 2004 .

[20]  Burke,et al.  Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.

[21]  Kresse,et al.  Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. , 1996, Physical review. B, Condensed matter.

[22]  Blöchl,et al.  Projector augmented-wave method. , 1994, Physical review. B, Condensed matter.

[23]  Stefano de Gironcoli,et al.  Ab initio calculation of phonon dispersions in semiconductors. , 1991, Physical review. B, Condensed matter.

[24]  Ferreira,et al.  Special quasirandom structures. , 1990, Physical review letters.

[25]  Paul Soven,et al.  Coherent-Potential Model of Substitutional Disordered Alloys , 1967 .

[26]  W. Kohn,et al.  Self-Consistent Equations Including Exchange and Correlation Effects , 1965 .