Related Experiment Video
Updated: May 16, 2026

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
Published on: June 7, 2018
Local order and dynamic properties of liquid Au(x)Si(1-x) alloys by molecular dynamics simulations
N Jakse1, T L T Nguyen, A Pasturel
1Sciences et Ingénierie des Matériaux et Procédés (SIMAP), Grenoble INP, UJF-CNRS 1130, rue de la Piscine, BP 75, 38402 Saint-Martin d'Hères Cedex, France.
Abstract:
Molecular dynamics simulations are performed to examine structural and dynamic properties of liquid Au-Si alloys around the eutectic composition, with interactions described via a modified embedded-atom model suitable for the liquid properties. The local structure as defined by the partial pair-correlation functions, coordination numbers, and partial structure factors is found to display a strong evolution with composition. In addition, a structural study using a three-dimensional pair-analysis technique evidences a strong evolution of the icosahedral short-range order over the range of concentrations, 0 < x(Si) < 0.5. In examining the dynamic properties of these alloys, we show a strong interplay between the structural changes and the evolution of the self-diffusion coefficients as a function of composition.
Related Concept Videos
Metallic Solids
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability. Many...
Liquid–Solid Solutions
Molecular and Ionic Solids
Molecular Solids
Molecular crystalline solids, such as ice, sucrose (table sugar), and iodine, are solids that are composed of neutral molecules as their constituent units. These molecules are held together by weak intermolecular forces such as London dispersion forces, dipole-dipole interactions, or hydrogen bonds, which...

