Analysis of the Applicability of the Yukawa Model and Chapman–Enskog Approach for Heated Beryllium at Metallic Density Using Quantum Molecular Dynamics

Analysis of the Applicability of the Yukawa Model and Chapman–Enskog Approach for Heated Beryllium at Metallic Density Using Quantum Molecular Dynamics

We conducted a comprehensive analysis of quantum molecular dynamics (QMD) simulation results for beryllium (Be) at metallic density and temperatures up to 32,000 K. Using the QMD results for the radial distribution function (RDF), velocity autocorrelation function (VACF), mean-squared displacement (...

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Bibliographic Details
Main Authors: Moldir Issanova, Nasriddin Djienbekov, Tlekkabul Ramazanov, Gaukhar Omiraliyeva, Sandugash Kodanova, Akmaral Kenzhebekova
Format: Article
Language:English
Published: MDPI AG 2025-04-01
Series:Applied Sciences
Subjects:
beryllium
density functional theory
diffusion
Online Access:https://www.mdpi.com/2076-3417/15/9/4945
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