Molecular dynamics simulation of liquid gallium using an embedded atom model

Authors

Oliver B. Generalao; Allan Jay Pariñas; Francis N. C. Paraan

Source

Proceedings of the 34th Samahang Pisika ng Pilipinas Physics Congress, University of the Philippines Visayas, Iloilo City, 18–21 Aug 2016, SPP-2016-5B-03.

Abstract

Optimized embedded atom model (EAM) potential parameters from the literature are used to perform a molecular dynamics simulation of liquid gallium. Liquid densities are calculated at several temperatures at a fixed pressure of 1 atm to determine the mean coefficient of thermal expansion. Radial pair distribution functions showing the shell structure of the liquid phase are also obtained and compared with previous simulations and experimental results.