Kibble-Zurek scaling of nonequilibrium phase transition in barium titanate Academic Article uri icon

abstract

  • Far-from-equilibrium phase transition dynamics is one of the grand challenges in modern materials science. A theoretical landmark is the KibbleZurek (KZ) scaling to describe the relationship between the temperature quenching rate and the resulting defect density in the vicinity of symmetry-breaking phase transformations. Despite the confirmation of the KZ scaling in ferroic perovskite materials and macroscopic simulations, its atomistic mechanisms remain elusive. Here, we demonstrate the KZ scaling using all-atom molecular dynamics simulations for a prototypical ferroelectric perovskite, barium titanate, with the scaling exponent corresponding to the theoretical prediction for rapid quenching. Simulated diffuse neutron scattering data are presented to guide future experiments.

published proceedings

  • APPLIED PHYSICS LETTERS

author list (cited authors)

  • Baradwaj, N., Krishnamoorthy, A., Nomura, K., Nakano, A., Kalia, R. K., & Vashishta, P.

citation count

  • 0

complete list of authors

  • Baradwaj, Nitish||Krishnamoorthy, Aravind||Nomura, Ken-ichi||Nakano, Aiichiro||Kalia, Rajiv K||Vashishta, Priya

publication date

  • December 2023