  Titanium is the base material for a number of technologically important
alloys for energy conversion and structural applications. Atomic-scale studies
of Ti-based metals employing first-principles methods, such as density
functional theory, are limited to ensembles of a few hundred atoms. To perform
large-scale and/or finite temperature simulations, computationally more
efficient interatomic potentials are required. In this work, we coarse grain
the tight-binding (TB) approximation to the electronic structure and develop an
analytic bond-order potential (BOP) for Ti by fitting to the energies and
forces of elementary deformations of simple structures. The BOP predicts the
structural properties of the stable and defective phases of Ti with a quality
comparable to previous TB parametrizations at a much lower computational cost.
The predictive power of the model is demonstrated for simulations of
martensitic transformations.
