Publication date: Available online 18 February 2016
Source:Thin Solid Films
Author(s): Vafa Jahangir, Reza Riahifar, Maziar Sahba Yaghmaee
In order to predict as well as study the surface melting phenomena in contradict to surface overheating, a generalized thermodynamics model including the surface free energy of solid and the melt state along with the interfacial energy of solid-liquid (melt on substrate) has been introduced. In addition, the effect of different crystal structure of surfaces in fcc, bcc and hcp metals were included in surface energies as well as in the atomistic model. These considerations leaded us to predict surface melting and overheating as two contradictory melting phenomena. The results of calculation are demonstrated on the example of Pb and Al thin films in three groups of (100), (110) and (111) surface planes. Our conclusions show good agreement with experimental results and other theoretical investigations. Moreover, a computational algorithm has been developed which enables users to investigate the surface melt or overheating of single component metallic thin film with variable crystal structures and different crystalline planes. This model and developed software can be used for studying all related surface phenomena.
Source:Thin Solid Films
Author(s): Vafa Jahangir, Reza Riahifar, Maziar Sahba Yaghmaee