Local Structure of MD Simulated Soda-Lime-Silicate Glass

Abstract

ABSTRACTSimulation of soda-lime-silicate (sis) glass has been performed using molecular dynamics (MD). The local structure of each component is analyzed extensively in terms of total radial distribution function and coordination number and found to be insensitive to the composition change. Because of its big size, Na+/Ca2+ shows a behavior rather like O2− instead of Si4+. It is evident that the CN and local structure of Na+ with O2− are similar to those in crystalline a-Na2Si2O5. Finally, the Na+/Ca2+ cluster phenomenon is discussed.