Ab initio theory of phase transitions and thermoelasticity of minerals

@inproceedings{Oganov2003AbIT,
  title={Ab initio theory of phase transitions and thermoelasticity of minerals},
  author={Artem R. Oganov and J. P. Brodholt and Geoffrey D. Price},
  year={2003}
}
Accurate quantum-mechanical simulations have significantly extended the current picture of the Earth and hold a great promise for the future of the Earth and planetary sciences. Studies of phase transitions, equations of state, elasticity and thermoelastic properties of the Earth-forming minerals are essential to geophysics. This chapter gives a basic… CONTINUE READING