Phonons in crystals underlie the thermochemical and thermophysical properties of materials and equally importantly, are central to many materials phenomena (e.g. phase transitions, thermal transport). In this regard, using first principles calculations and atomistic simulations, I will discuss (i) phonon mediated displacive phase transition associated with shape memory and super-elasticity effects in NiTi alloys, and (ii) anamolous stiffening of phonons at (111) antiphase boundaries in L12 Ni3Al intermetallics leading to an increased driving force for cross slip in L12 Ni3Al intermetallics.
