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The substitutional solute atom induced local lattice distortion (LLD) indilute metal solid solution was believed to be uniform that may even be modeledby using soap bubble raft. Contrary to this conventional picture, we report inthis manuscript that the Mo induced LLD in dilute Ti-Mo solid solution ishighly non-uniform as evidenced by our first principles calculations. Thenon-uniform LLD is ascribed to the Jahn-Teller splitting of the degenerated dstates of Mo atom. We propose that the substitutional solid solutions withnon-uniform LLD should satisfy two conditions. With which, the solid-solutionssuffering from non-uniform LLD are predicted. The non-uniform LLD is expectedto result in non-spherical stress field around the solute atom, and, therefore,challenges the application of classical solid solution hardening model to thiskind of solid solutions.

Unconventional non-uniform local lattice distortion in dilute Ti-Mo solid solution