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- W2805740703 endingPage "177" @default.
- W2805740703 startingPage "169" @default.
- W2805740703 abstract "In this work, effects of solute atoms (X) on lattice parameters, bulk modulus, enthalpy of formation, lattice distortion energy, electron work function (EWF) and bonding morphology/strength of HCP Ti95X are comprehensively studied by first-principles calculations. Here, X includes the α-stabilizer Al, and the β-stabilizer Cr, Mo, V and Nb, which are commonly combined in the high-strength Ti7333 and Ti5553 alloys. Attributing to various atomic size and number of valence electrons of these solute atoms, the mechanical (lattice distortion) and the chemical (solute atom) contributions to the local lattice strains are clearly distinguished in terms of lattice distortion energy and bonding charge density. It is found that the equilibrium volume of Ti95X decreases linearly with the increased HCP volume of each solute atom. The less change of volume yields minimum lattice distortion energy. Moreover, a higher value of Δρ caused by the electron redistributions of solute atoms than the matrix indicates an improved bonding strength via the coupling effects of lattice distortion and valence electrons. The bonding strength of Ti95X increases in the order of Ti-Al < Ti-Cr < Ti-V < Ti-Nb < Ti-Mo. According to the available measured yield strength of Ti-Al alloys, the proposed a power-law-scaled relationship in terms of EWF and grain size results in the predicted yield strength agree well with those experimental data. This work provides an atomic and electronic basis for the solid solution strengthening and grain refinement hardening mechanisms, paving a path accelerating the development of advanced high-strength Ti alloys." @default.
- W2805740703 created "2018-06-13" @default.
- W2805740703 creator A5007276499 @default.
- W2805740703 creator A5014724537 @default.
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- W2805740703 creator A5084845056 @default.
- W2805740703 date "2018-09-01" @default.
- W2805740703 modified "2023-10-09" @default.
- W2805740703 title "Revealing the local lattice strains and strengthening mechanisms of Ti alloys" @default.
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