title: Structural and physicochemical properties of liquid Al-Zn alloys: a combined study based on molecular dynamics simulations and the quasi-lattice theory.
abstract: Ordering phenomena have been investigated in liquid Al-Zn alloys performing molecular dynamics (MD) simulations using "empirical oscillating pair potentials." The local structural order is studied by computing two microscopic functions, namely, the concentration fluctuation function and the Warren-Cowley short-range order parameter. We also study the influence of ordering phenomena on transport properties like diffusivity and viscosity. The MD results are confronted to those determined from measurements and in the framework of the quasi-lattice theory.
authors.affiliation: Institute of Metallurgy and Materials Science, Polish Academy of Sciences, Krakow, Poland.
authors.forename: M
authors.initials: M
authors.lastname: Trybula
authors.affiliation: Laboratoire de Science et Ingénierie des Matériaux et Procédés, UMR-CNRS-INPG-UFJ 5266, PHELMA-Grenoble-INP, Saint Martin d'Hères Cedex, France.
authors.forename: N
authors.initials: N
authors.lastname: Jakse
authors.affiliation: Institute of Metallurgy and Materials Science, Polish Academy of Sciences, Krakow, Poland.
authors.forename: W
authors.initials: W
authors.lastname: Gasior
authors.affiliation: Laboratoire de Science et Ingénierie des Matériaux et Procédés, UMR-CNRS-INPG-UFJ 5266, PHELMA-Grenoble-INP, Saint Martin d'Hères Cedex, France.
authors.forename: A
authors.initials: A
authors.lastname: Pasturel