Thorium dioxide (ThO2) is a promising alternative to mixed-oxide nuclear fuels due to its
longer fuel cycle and resistance to proliferation. Understanding the thermal properties, in …

We have used DFT+ U with spin–orbit coupling to understand the effect of pressure on the
mechanical and optical properties of ThO2 and PuO2. Both the compounds are …

First-principles calculations based on density generalized function theory (DFT) were used
to determine the structural transformation, phonon spectra, thermodynamic properties, and …

In situ synchrotron x-ray diffraction experiments were conducted in the system Li-O-Br at
pressures up to 6.5 GPa and temperatures up to the melting points. The thermal equation of …

We have investigated the crystal structure, phase transition and electronic properties of ThO
2 and PuO 2 using density functional theory (DFT). The lattice parameters of cubic ThO 2 …

ThO2 (thoria) is an important semiconductor, optical material, and mineral. It has Fm 3-m
phase at normal pressure, and it transforms to the Pnma phase under high pressure. The …

Actinide oxides (AnO 2) are mostly explored nuclear fuel material in past few decades since
changes in crystal structure of these materials inside nuclear reactor are harmful for reactors …

Actinide oxides (AnO2) are mostly explored nuclear fuel material in past few decades since
changes in crystal structure of these materials inside nuclear reactor are harmful for reactors …