Partho Kundu, Puja Rani Paul, Apurba Sarker, Ishat Raihan Jamil, Mohammad Nasim Hasan
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Molecular dynamics simulation of alloying characteristics of Al–Mg nanoparticles under different process heating conditions
The effect of thermal process parameters on the alloying of Al–10Mg (wt%) system has been studied in molecular dynamics approach. Five distinct values of heating rate have been considered for Al an...
期刊介绍:
Molecular Simulation covers all aspects of research related to, or of importance to, molecular modelling and simulation.
Molecular Simulation brings together the most significant papers concerned with applications of simulation methods, and original contributions to the development of simulation methodology from biology, biochemistry, chemistry, engineering, materials science, medicine and physics.
The aim is to provide a forum in which cross fertilization between application areas, methodologies, disciplines, as well as academic and industrial researchers can take place and new developments can be encouraged.
Molecular Simulation is of interest to all researchers using or developing simulation methods based on statistical mechanics/quantum mechanics. This includes molecular dynamics (MD, AIMD), Monte Carlo, ab initio methods related to simulation, multiscale and coarse graining methods.