液态铝基合金微观结构及其性质的分子动力学模拟研究(英文)

液态铝基合金微观结构及其性质的分子动力学模拟研究(英文)Title: Molecular Dynamics Simulation Study of Microstructure and Propert

液态铝基合金微观结构及其性质的分子动力学模拟研 () 究英文 Title: Molecular Dynamics Simulation Study of Microstructure and Properties of Liquid Aluminium-Based Alloys Abstract: Aluminium-based alloys (Al-alloys) have been widely used in various industrial applications due to their excellent mechanical, physical, and chemical properties. In this study, we have used molecular dynamics (MD) simulation to investigate the microstructure and properties of liquid Al-based alloys. The simulation results reveal that the addition of alloying elements such as magnesium (Mg) and silicon (Si) significantly affects the microstructure, thermodynamics, and mechanical properties of Al-alloys. The density and cohesive energy of liquid Al-Mg and Al-Si alloys are higher than that of pure liquid Al due to the formation of chemical bonds between the alloying elements and Al atoms. The diffusion coefficient of atoms in the alloys is found to decrease with increasing Mg or Si content due to the effect of atomic size and chemical interaction. Furthermore, the temperature dependence of the viscosity of the alloys exhibits anon-linear behavior due to the formation of clusters and structural rearrangement. Introduction: Aluminium-based alloys are considered to be important engineering materials due to their excellent mechanical, physical, and chemical properties. The unique combination of properties such as low density, high strength-to-weight ratio, high corrosion resistance, and good electrical conductivity makes them suitable for many industrial applications such as aerospace, automotive, construction, and consumer electronics. The microstructure and properties of Al-alloys are influenced by various factors such as alloying elements, processing conditions, and thermodynamic parameters. Many experimental studies have been conducted to investigate the microstructure and properties of Al-alloys. However, the complex interactions of atoms and their dynamics at the atomic level cannot be directly observed experimentally. Therefore, molecular dynamics (MD) simulation is a useful tool for understanding the microstructure and properties of Al-alloys at the atomic level.