Molecular Dynamics Study of Structural and Transport Properties of Silver Iodide Using Effective Charges

Molecular Dynamics Study of Structural and Transport Properties of Silver Iodide Using Effective Charges

The superionic conductor, solid state, and body-centered cubic structure, silver iodide at room temperature, has been studied via molecular dynamics simulations. The calculated results using pairwise Coulomb-Buckingham potential, zero pressure on the sample, a semi-rigid model system of 1000 Ag and...

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Bibliographic Details
Main Authors: Diego Peña Lara, Hernando Correa, Jesús Evelio Diosa
Format: Article
Language:English
Published: MDPI AG 2022-09-01
Series:Molecules
Subjects:
silver iodide
molecular dynamics
pairwise distribution function
velocity autocorrelation function
(NVE) statistical ensemble
effective charge
Online Access:https://www.mdpi.com/1420-3049/27/18/6132

Internet

https://www.mdpi.com/1420-3049/27/18/6132

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