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We perform detailed first principles calculations of the structuralparameters at zero pressure and high pressure, the elastic properties, phonondispersion relation, and ideal strengths of U$_2$Mo with $C11_b$ structure. Incontrast to previous theoretical studies, we show that this $I4/mmm$ structureis indeed a mechanically and dynamically unstable phase, which is confirmed bythe negative elastic constant $C_{66}$ as well as the imaginary phonon modesobserved along the $\Sigma_1$-N-P line. The calculations of ideal strengths forU$_2$Mo are performed along [100], [001], and [110] directions for tension andon (001)[010] and (010)[100] slip systems for shear load. The ideal shearstrength is about 8.1 GPa, much smaller than tension of 18-28 GPa, whichindicates that the ductile U$_2$Mo alloy will fail by shear rather than bytension.

Structural instabilities and mechanical properties of U$_2$Mo from first principles calculations