A comprehensive investigation on the accuracy and efficiency of methods for melting temperature calculation using molecular dynamics simulations
Xinwei Wang, Mengxin Yang, Xiaoqian Gai, Yibo Sun, Bohan Cao, Jiajin Chen, Min Liang, Fubo Tian, Liang Li
Topics & Concepts
SuperheatingMolecular dynamicsMaterials scienceNucleationVoid (composites)SupercoolingMelting temperatureAmorphous solidThermodynamicsCrystal (programming language)Computer scienceChemistryCrystallographyComputational chemistryPhysicsComposite materialProgramming languagenanoparticles nucleation surface interactionsMaterial Dynamics and PropertiesTheoretical and Computational Physics