Numerical modelling of dislocations and deformation mechanisms in CaIrO3 and MgGeO3 post-perovskites—Comparison with MgSiO3 post-perovskite

2008/04/13 by Arnaud Metsue, A. Metsue, Philippe Carrez +2
Materials Science · Earth and Planetary Sciences · #Thermal Expansion and Ionic Conductivity #High-pressure geophysics and materials #Ferroelectric and Piezoelectric Materials

paper · doi:10.1016/j.pepi.2008.04.003

Citations

• Projector augmented-wave method
• Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
• A self consistent approach of the large deformation polycrystal viscoplasticity