شماره ركورد كنفرانس :
5328
عنوان مقاله :
Structural and Dynamic Properties of Cesium Metal by Molecular Dynamics Simulation
پديدآورندگان :
Shekoohi Khadijeh sh.shekoohi@gmail.com Department of Chemistry, Darab Branch, Islamic Azad University, Darab 7481783143-196, Iran , Hadi Ghatee Mohammad ghatee@susc.ac.ir Department of Chemistry, Shiraz University, Shiraz 71454, Iran
كليدواژه :
molecular dynamic simulation , Gupta potential , Pair correlation , surface tension
عنوان كنفرانس :
بيست و سومين كنفرانس شيمي فيزيك انجمن شيمي ايران
چكيده فارسي :
In this study, by using the Gupta model potential, a series of Molecular dynamic simulations(MD) carried out to calculate the properties such as, density, pair distribution function g(r), and surface tension of liquid cesium. These properties are investigated in wide range of temperatures of 400 to 1500K. Good agreements with experiment are observed for the simulated properties.
