Ab initio calculations and high P-T experiments on iron, iron alloys and other materials: hcp-Fe equation of states and elasticity
LiYunguo
VocadloLidunka
BrodholtJohn
2019
<p>The folder includes the elastic calculations for the hcp-Fe at pressures from 60 GPa to 340 GPa.</p><p>Elastic calculations were performed at the density functional theory level by using the Vienna Ab initio Simulation Package. The strainâ€“stress method was used to calculate the isothermal elastic constants.</p>