Computational Simulation Of Electromagnetic Effect On Magnetic Alginate Nanosphere: Molecular Dynamics Approach

Abstract

Alginate-based nanoparticles are a promising substrate for a number of applications owing to their biocompatibility, biodegradability, and ability to encapsulate a broad range of chemicals. A number of studies were used to understand the simulation findings of magnetic alginate-based nanoparticles, which we refer to as alginosomes. The MD simulation was applied in the NVT ensemble for a set period of time to collect trajectory data for analysis, which comprised total and potential energy parameters, RDF, and RMSD, all of which were computed using the DERIDING forcefield. The LAMMPS software tool was used to simulate an external electromagnetic field and calculate atomic behavior, Nano stability, and the disintegration process. The simulation findings showed that the total energy of the magnetic alginosome converged to -7479 kcal/mol . At the same time, the zeta potential of the Nano system reached -0.45 mV in response to an external electromagnetic field during an exothermic process. In addition, the size and form of magnetic nanoparticles in MD simulation may have a considerable impact on the RDF of a magnetic alginate-based nanosphere. Finally, the discovery of magnetic alginate-based nanoparticles has revealed their behavior. It may be used to drive the design process for improving their performance in a number of biological applications. It can provide useful insights into the behavior of magnetic nanoparticles under a range of situations, as well as aid in the optimization of nano-system techniques.