The stability, bonding, work of adhesion and electronic structure of the U/W interface with and without Ti were investigated by first principles to explore the mechanical properties of W particles enhanced U-Ti alloy matrix composite as a construction material. The calculated results indicate that the preferable orientation of the U/W interfacial structure is (001) U /(110) W crystallographic plane, Ti atoms originating from U slab are prone to diffuse into W slab through the interface, and additional Ti in U matrix is the stronger adhesion to W, with an ideal work of adhesion of 6.93 JÁm -2 for U-Ti/W interface, relative to the value of 6.72 JÁm -2 for clean U/W interface. The stronger adhesion performance is due to the increase in valence electron hybridization for U-Ti/W compared with U/W interface, as evidenced by the characteristic of the local density of states for the interfacial atoms.
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