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An investigation of U2Ti, a potentially safe and heavy metal-based storagematerial for radioactive tritium for fusion reactor, has been performed usingpseudopotential density functional theory. The analysis of the elasticconstants and other moduli calculated for the first time shows large anisotropyon elasticity and brittle behavior. A quasi-harmonic Debye model, whichconsiders the vibrational contribution to the total free energy of the system,has been used to investigate the finite-temperature and finite-pressurethermodynamic properties of U2Ti. The electronic band structure revealsmetallic conductivity and the major contribution comes from U-5f states. Byanalyzing the optical spectra, the origin of the various structures is alsoexplained in terms of the calculated electronic structure. Further thereflectivity spectrum shows that the material is perfect reflector within theenergy range 8-12.5 eV.  Keywords: Uranium-titanium alloy; First-principles calculations;Quasi-harmonic Debye model; Mechanical properties, Band structure, Opticalproperties

Elastic, thermodynamic, electronic and optical properties of U2Ti