Structures and Properties of β-Titanium Alloys Doped with Trace Transition Metals: A Density Functional Theory Study

We systematically calculate the structure, formation enthalpy, formation free energy, elastic constants and electronic structure of Ti 0.98 X 0.02 system by density functional theory (DFT) simulations to explore the effect of transition metal X (X = Ag, Cd, Co, Cr, Cu, Fe, Mn, Mo, Nb, Ni, Pd, Rh, Ru...

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