Add to ORKGStructure prediction and determination of thermoelastic properties of planetary inner cores is a problem of great interest to both planetology and material science. Much work has been done through seismography and high-pressure experiments, wherein both communities have aided each other in refining and verifying their knowledge. Ab-initio calculations can help in obtaining reliable and accurate data. Density functional theory combined with phonon calculations can provide detailed information on material properties at conditions of high temperature and high pressure
Abstract. The elasticity of materials is important for our understanding of processes ranging from b...
Direct observations of material properties at pressures in the megabar range have increased dramatic...
[1] Phonon dispersions of MgSiO3 ilmenite, a major mantle mineral, are calculated at high pressures ...
Structure prediction and determination of thermoelastic properties of planetary inner cores is a pro...
Abstract. Ab initio simulations play an increasingly im-portant role in the studies of deep planetar...
The study of materials properties under extreme conditions has made considerable progress over the p...
The inherent difficulty of making and interpreting measurements of the deep interior of the Earth an...
Atomic-scale materials modelling based on first-principles quantum mechanics is playing an important...
In this thesis, material properties have been examined under extreme conditions in computer-based ca...
We present the results of our studies using the first principles theories on materials in which cont...
We present ab initio calculations of the high-temperature axial cla ratio of hexagonal-close-packed ...
It is shown how ab initio techniques based on density functional theory can be used to calculate the...
On présente ici une revue des calculs récents, par la méthode du pseudopotentiel, des structures cri...
The current boom in computer power has created avenue to study materials’ properties under extreme t...
In the deep interiors of planets, the pressures and the temperatures are significantly higher than a...
Abstract. The elasticity of materials is important for our understanding of processes ranging from b...
Direct observations of material properties at pressures in the megabar range have increased dramatic...
[1] Phonon dispersions of MgSiO3 ilmenite, a major mantle mineral, are calculated at high pressures ...
Structure prediction and determination of thermoelastic properties of planetary inner cores is a pro...
Abstract. Ab initio simulations play an increasingly im-portant role in the studies of deep planetar...
The study of materials properties under extreme conditions has made considerable progress over the p...
The inherent difficulty of making and interpreting measurements of the deep interior of the Earth an...
Atomic-scale materials modelling based on first-principles quantum mechanics is playing an important...
In this thesis, material properties have been examined under extreme conditions in computer-based ca...
We present the results of our studies using the first principles theories on materials in which cont...
We present ab initio calculations of the high-temperature axial cla ratio of hexagonal-close-packed ...
It is shown how ab initio techniques based on density functional theory can be used to calculate the...
On présente ici une revue des calculs récents, par la méthode du pseudopotentiel, des structures cri...
The current boom in computer power has created avenue to study materials’ properties under extreme t...
In the deep interiors of planets, the pressures and the temperatures are significantly higher than a...
Abstract. The elasticity of materials is important for our understanding of processes ranging from b...
Direct observations of material properties at pressures in the megabar range have increased dramatic...
[1] Phonon dispersions of MgSiO3 ilmenite, a major mantle mineral, are calculated at high pressures ...