Bulk modulus for solid molecular tritium: Ab initio approximation

Results for the bulk modulus approximation of the solid molecular tritium were calculated by means of simulations with ab initio methods. The selected method does not take into account the beta decay of tritium and its effects on the solid properties. These properties, which were obtained by this methodology, has been tested on experimental data of hydrogen and deuterium [1]. With bulk module calculates the speed of sound by getting information about the changes occurring in the solid phase and behavioral approaches by the equation of state for this system or more complex Deuterium-Tritium (DT), which is used as fuel in target of the systems Inertial Confinement Fusion. This work is presented as a step before to solid DT analysis and mechanical properties. In addition the atomic structure is studied for solid state molecular tritium, showing the transition phase of I to II in solid phase to temperatures of 15 K, this transition shows consistency with the results presented for hydrogen but with a shift in the pressure [2,3].