title: A methodology for coupling an atomic model with a continuum model using an extended Lagrange function.
abstract: We propose a hybrid method combining an atomic model and a continuum model, in which the displacement field of the continuum is introduced as a new degree of freedom by extending Andersen's Lagrange function for constant-pressure molecular dynamics. We applied our method to a one-dimensional hybrid model which is composed of an atomic chain and springs. Large-scale fluctuation of the atomic system is found in the hybrid model. The density of states of the phonon is derived, and the large-scale fluctuation induces the generation of a variety of states of phonons. It is shown that the hybrid model proposed by our methodology enables us to perform large-scale simulations without intensive computations.
authors.affiliation: Department of Applied Science, Graduate School of Science and Engineering, Yamaguchi University, 2-16-1 Tokiwadai, Ube, Yamaguchi 755-8611, Japan.
authors.forename: Guehee
authors.initials: G
authors.lastname: Kim
authors.forename: Yasuhiro
authors.initials: Y
authors.lastname: Senda