Molecular dynamics simulation of the solidification process of magnesium alloy medical materials
Abstract
The process of solidification, which includes the creation of ice, a liquid can become a solid by freezing solder in electrical circuits or casting metal in industrial settings. Magnesium alloys have developed as promising tools for biomedical applications due to their desirable properties such as low density, high strength, and excellent biocompatibility. These alloys are increasingly used in various applications and devices, where their performance is heavily influenced by their microstructure characteristics. The objective of the research is to establish a molecular dynamics simulation of the magnesium alloy medicinal material solidification process. Magnesium alloys widely recognized for their biocompatibility and biodegradability are increasingly used in medical implants. In this study, MD simulations are applied to represent the atomic interactions and microstructural development during the solidification process. During the solidification phase, the simulation advances, tracking the emergence and expansion of solid nuclei while varying cooling rates to investigate their effects on the dynamics of solidification. This research parameter, such as temperature variations, cooling rates, and phase transformations, is analyzed to reveal the nucleation and growth of solid phases. Two appropriate force fields that are used to explain the possible energy interactions between atoms are the modified embedded atom method (MEAM) and the embedded atom method (EAM). The findings shed light on the kinetics of crystallization and the impact of alloy composition on solidification behavior. This study provides useful suggestions for improving the performance and dependability of magnesium alloys in biomedical equipment.
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Copyright (c) 2024 Yongxin Yang, Shaolong Yang, Jiang Li, Chenming Qu, Yashan Feng
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