జర్నల్ ఆఫ్ మెటీరియల్స్ సైన్స్ అండ్ నానోమెటీరియల్స్

నైరూప్య

Effect of Temperature and Pressure on Molar Volume of ZnO Wurtzite Phase Under Extended Pressure and Temperature a Molecular Dynamics Prediction

Yahia Chergui, R Chemam and T Aouaroun

The behavior of molar volume of ZnO wurtzite phase is investigated using parallel molecular dynamics and dl_poly_4 software in RAVEN supercomputer of Cardiff University (UK). In this work we study the effect of temperature and pressure on molar volume of ZnO wurtzite type in the range of 300-3000K and 0-200GPa of temperature and pressure respectively.