Abstract
The second-moment approximation (SMA) of the tight-binding (TB) scheme was used to calculate the molar volume, volume expansion, internal energy and pair correlation function for bulk liquids of the fee metals at several temperatures both above and below the melting point. The calculated values were found to be in generally good agreement with experiments, although the volume expansion upon melting does differ by 55% from the expected result for some of the elements studied. The total energy of a liquid system with surfaces was calculated, and the results were compared with the bulk liquid results to determine the enthalpy and width of the liquid-vapour interface. The TB SMA values for surface enthalpy were found to be lower than experimental values by by about 10-40%.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
