Details of structure transformations in pure uranium and U-Mo alloys: Insights from classical atomistic simulation

A strong anisotropy of interatomic interaction in pure uranium makes possible a variety of feasible struc-ture transformations in this metal. With classical atomistic simulation we consider several unusual as-pects of such transformations occurring in pure uranium and U-Mo alloys. A special focus is put on alpha - gamma and gamma 0 - gamma transitions, which are discussed in details taking into account their similarity. Re-garding the question of gamma-phase stabilization, we discuss the quasi-bcc structure of this phase and Elinvar effect seen from calculations of elastic moduli in gamma-U-Mo alloys. (c) 2023 Elsevier B.V. All rights reserved.

Automated summary

The strong anisotropy of interatomic interaction in pure uranium allows for various structure transformations in this metal. Using classical atomistic simulation, we examine several unusual aspects of these transformations in pure uranium and U-Mo alloys. We specifically focus on the alpha-gamma and gamma 0-gamma transitions, discussing their similarities in detail. Additionally, we discuss the quasi-bcc structure of the gamma phase and the Elinvar effect observed in calculations of elastic moduli in gamma-U-Mo alloys.