Boron nitride(BN)as a chemical analogue of carbon exists in various forms.However,nearly all experimentally synthesized and theoretically proposed BN are insulators or semiconductors with wide band ga
A viscoplastic self-consistent model has been implemented to study the plane-strain deformation behavior of pure magnesium single crystals and polycrystals.
A systematic study on the structures of metal dioxides(MO2)under high-pressure conditions is performed by first-principles calculation.The structural evolution,subject to fixed chemical formula and hi
First-principles calculation of entropies and free energies for liquids and determination of liquid-solid phase boundaries is a long-standing problem in molecular dynamics and the one that has receive
To investigate its optical properties,elastic-plastic behaviors and phase-transitions,Gd3Ga5O12(GGG)single crystal samples are shock-compressed from several GPa to 290 GPa.
Nitromethane is a typical insensitive liquid explosive with simple molecular structure,but its molecular response under shock loading is still an interesting problem.How shock compression makes the mo