title: Phase-field-crystal model for ordered crystals.
abstract: We describe a general method to model multicomponent ordered crystals using the phase-field-crystal (PFC) formalism. As a test case, a generic B2 compound is investigated. We are able to produce a line of either first-order or second-order order-disorder phase transitions, features that have not been incorporated in existing PFC approaches. Further, it is found that the only elastic constant for B2 that depends on ordering is C_{11}. This B2 model is then used to study antiphase boundaries (APBs). The APBs are shown to reproduce classical mean-field results. Dynamical simulations of ordering across small-angle grain boundaries predict that dislocation cores pin the evolution of APBs.
authors.affiliation: Department of Chemical and Biological Engineering, Northwestern University, Evanston, Illinois 60208, USA.|Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, USA.
authors.forename: Eli
authors.initials: E
authors.lastname: Alster
authors.affiliation: Department of Physics, Oakland University, Rochester, Michigan 48309, USA.
authors.forename: K R
authors.initials: KR
authors.lastname: Elder
authors.affiliation: Department of Materials Science and Engineering and Brockhouse Institute for Materials Research, McMaster University, Hamilton, Ontario, Canada L8S-4L7.
authors.forename: Jeffrey J
authors.initials: JJ
authors.lastname: Hoyt
authors.affiliation: Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, USA.
authors.forename: Peter W
authors.initials: PW
authors.lastname: Voorhees