First-principles calculations of structural, elastic and electronic properties of second phases and solid solutions in Ti–Al–V alloys
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Yangjie Wan | Ying Zeng | Xiaoying Qian | Qiurong Yang | K. Sun | Yingbo Zhang | X. Shang | G. Quan | Bin Jiang | Bin Jiang | Y. Wan | B. Jiang | Wan Yangjie | Zeng Ying | Qian Xiaoying
[1] R. Hill. The Elastic Behaviour of a Crystalline Aggregate , 1952 .
[2] S. Pugh. XCII. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals , 1954 .
[3] M. Born,et al. Dynamical Theory of Crystal Lattices , 1954 .
[4] J. J. Rausch,et al. Titanium-Rich Corner of the Ti-Al-V System , 1956 .
[5] P. Hohenberg,et al. Inhomogeneous Electron Gas , 1964 .
[6] R. I. Taylor,et al. A quantitative demonstration of the grain boundary diffusion mechanism for the oxidation of metals , 1982 .
[7] A. Inoue,et al. Microstructure and mechanical properties of metastable fcc phase wires in Mn-Al-C system manufactured by in-rotating-water spinning method , 1983 .
[8] M. Payne,et al. Finite basis set corrections to total energy pseudopotential calculations , 1990 .
[9] D. Vanderbilt,et al. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. , 1990, Physical review. B, Condensed matter.
[10] C. M. Wayman,et al. Atomic ordering in TiVAl shape memory alloys , 1991 .
[11] Jianlin Shi,et al. Improving the ductility of γ(TiAl) based alloy by introducing disordered β phase , 1992 .
[12] T. Arias,et al. Iterative minimization techniques for ab initio total energy calculations: molecular dynamics and co , 1992 .
[13] Wills,et al. Theory of elastic constants of cubic transition metals and alloys. , 1993, Physical review. B, Condensed matter.
[14] Bernd G. Pfrommer,et al. Relaxation of Crystals with the Quasi-Newton Method , 1997 .
[15] J. Nørskov,et al. Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals , 1999 .
[16] N. Schell,et al. Structural mechanisms of the mechanical degradation of Ti–Al–V alloys: in situ study during annealing , 2000 .
[17] K. Ishida,et al. Phase equilibria among α (hcp), β (bcc) and γ (L10) phases in Ti–Al base ternary alloys , 2000 .
[18] D. Vanderbilt,et al. Virtual crystal approximation revisited: Application to dielectric and piezoelectric properties of perovskites , 1999, cond-mat/9908364.
[19] Fan Zhang,et al. The PANDAT software package and its applications , 2002 .
[20] Matt Probert,et al. First-principles simulation: ideas, illustrations and the CASTEP code , 2002 .
[21] Wei Wu,et al. Geometric and electronic structure of Ti2AlX (x=v, Nb, or Ta) , 2003 .
[22] S. Lakiza,et al. Stable and Metastable Phase Relations in the System Alumina–Zirconia–Yttria , 2005 .
[23] Y. Birol. Pre-aging to improve bake hardening in a twin-roll cast Al–Mg–Si alloy , 2005 .
[24] H. Somekawa,et al. Effect of solid-solution strengthening on fracture toughness in extruded Mg–Zn alloys , 2006 .
[25] H. Kim,et al. Mechanical Property and Elastic Modulus of Metastable Ti-Nb Based Alloys with Si Addition , 2007 .
[26] Chao Jiang. First-principles study of ternary bcc alloys using special quasi-random structures , 2009 .
[27] Leilei Xu,et al. Theoretical study on the stability, elasticity, hardness and electronic structures of W-C binary compounds , 2010 .
[28] A. Chiba,et al. Phase transformation and age-hardening of hexagonal α′ martensite in Ti–12 mass%V–2 mass%Al alloys studied by transmission electron microscopy , 2010 .
[29] L. Wen,et al. First-principles study of elastic and electronic properties of MgZn2 and ScZn2 phases in Mg-Sc-Zn alloy , 2010 .
[30] R. Boyer. Attributes, characteristics, and applications of titanium and its alloys , 2010 .
[31] J. Nie. Precipitation and Hardening in Magnesium Alloys , 2012, Metallurgical and Materials Transactions A.
[32] Yuhong Zhao,et al. Electronic structural, elastic properties and thermodynamics of Mg17Al12, Mg2Si and Al2Y phases from first-principles calculations , 2012 .
[33] Yosslen Aray,et al. Topological study of charge density in AlTi, AlTi_{3} and Al_{3}Ti intermetallics , 2012, J. Comput. Methods Sci. Eng..
[34] S. Dai,et al. Influence of Zr content on microstructure and mechanical properties of implant Ti–35Nb–4Sn–6Mo–xZr alloys , 2013 .
[35] D. Kent,et al. Effects of phase stability and processing on the mechanical properties of Ti-Nb based β Ti alloys. , 2013, Journal of the mechanical behavior of biomedical materials.
[36] Bing Zhao,et al. Effect of cryogenic treatment and aging treatment on the tensile properties and microstructure of Ti–6Al–4V alloy , 2013 .
[37] P. Mao,et al. First-principles calculations of structural, elastic and electronic properties of AB2 type intermetallics in Mg–Zn–Ca–Cu alloy , 2013 .
[38] Ying Yu,et al. Combination study of DFT calculation and experiment for photocatalytic properties of S-doped anatase TiO2 , 2014 .
[39] Rajamallu Karre,et al. First principles theoretical investigations of low Young's modulus beta Ti-Nb and Ti-Nb-Zr alloys compositions for biomedical applications. , 2015, Materials science & engineering. C, Materials for biological applications.
[40] T. Lippmann,et al. Microstructure and mechanical properties of a forged β-solidifying γ TiAl alloy in different heat treatment conditions , 2015 .
[41] M. Yan,et al. First-principles investigation of structural, mechanical and electronic properties for Cu–Ti intermetallics , 2016 .
[42] T. Tian,et al. Origin of ultralow Young׳s modulus in a metastable β-type Ti-33Nb-4Sn alloy. , 2016, Journal of the mechanical behavior of biomedical materials.
[43] Junyang He,et al. SECOND PHASE STRENGTHENING IN ADVANCED METAL MATERIALS , 2016 .
[44] Yuhong Zhao,et al. Effect of Zr, Hf, and Sn additives on elastic properties of α2-Ti3Al phase by first-principles calculations , 2017, Journal of Wuhan University of Technology-Mater. Sci. Ed..
[45] K. Aslantaş,et al. Effect of cryogenic and aging treatments on low-energy impact behaviour of Ti–6Al–4V alloy , 2017 .
[46] P. Berthet,et al. Superconductivity, pseudo-gap, and stripe correlations in high-T c cuprates , 2017 .
[47] W. M. Rainforth,et al. Deformation mechanisms in a metastable beta titanium twinning induced plasticity alloy with high yield strength and high strain hardening rate , 2018, Acta Materialia.
[48] Wei He,et al. First principles studies on the elastic, thermodynamic properties and electronic structure of Ti 15-x Mo x Sn compounds , 2018 .
[49] Y. Murayama,et al. Phase Stability and Mechanical Properties of Metastable Ti-X-Sn-Zr (x=Cr, Nb or Fe) Alloys , 2018, Materials Science Forum.