Estimating thermal properties of plumbene by multiscale modeling using molecular dynamics simulation technique
D. K. Das, Ashis Mallick, Sachin Singh
Abstract
To estimate the thermal properties of plumbene under different temperatures, a plumbene sheet is developed by multi-scale modeling. Plumbene sheets of variable sample sizes are also investigated to obtain a broader view of thermal properties of the material for useful application in several engineering fields. Melting point, specific heat at constant volume and pressure, heat of fusion and the coefficient of linear and surface expansion within a temperature range of 318–398 K are also determined. Present applied techniques will guide experimental approaches for designing of plumbene sheets with specific thermophysical properties for targeted applications.
Topics & Concepts
Materials scienceThermalThermal expansionScale (ratio)FusionConstant (computer programming)Molecular dynamicsSpecific heatEnthalpy of fusionVolume (thermodynamics)Material propertiesThermodynamicsMelting pointMechanicsComputer scienceComposite materialPhysicsPhilosophyQuantum mechanicsProgramming languageLinguisticsPhase Equilibria and ThermodynamicsCarbon Nanotubes in CompositesThermal properties of materials