Lattice thermal conductivity and Young's modulus of XN<sub>4</sub> (X = Be, Mg and Pt) 2D materials using machine learning interatomic potentials
Khashayar Ghorbani, Pedram Mirchi, Saeed Arabha, Ali Rajabpour, Sebastian Volz
Abstract
, this parameter is decreased by increasing the temperature. The findings of this research are not only evidence of the application of machine learning in MD simulations, but also provide information on the basic anisotropic mechanical and thermal properties of these newly discovered 2D nanomaterials.
Topics & Concepts
Lattice (music)Interatomic potentialThermal conductivityModulusMaterials scienceCondensed matter physicsThermalYoung's modulusThermodynamicsChemistryComposite materialPhysicsMolecular dynamicsComputational chemistryAcousticsThermal properties of materialsMachine Learning in Materials ScienceGraphene research and applications