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Updated: Dec 30, 2025

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
Published on: September 17, 2021
Viscosity of liquid Na-K alloys from molecular dynamics simulations
1Université de Lorraine LCP-A2MC 1, boulevard Arago 57070 METZ Cédex, France.
Abstract:
The shear viscosity of liquid Na-K alloys is computed from molecular dynamics simulations using the Green-Kubo formalism. Interatomic interactions are described using effective pair potentials obtained from Fiolhais pseudo-potential and self-consistent screening. The composition dependence of the viscosity is first investigated at 373 K, then its temperature dependence at three different compositions, namely Na10-K90, Na50-K50, and Na90-K10. Simulation results are first compared with available experimental data. The evolution of the viscosity of the alloys versus temperature is similar to that of a pure one component fluid. This is discussed in connection with the chemical order of the mixtures.
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