Borosilicate glass potentials for radiation damage simulations

Incorporating non-adiabatic effects in embedded atom potentials for radiation damage cascade simulations.

In radiation damage cascade displacement spikes ions and electrons can reach very high temperatures and be out of thermal equilibrium. Correct modelling of cascades with molecular dynamics should allow for the non-adiabatic exchange of energy between ions and electrons using a consistent model for the electronic stopping, electronic temperature rise, and thermal conduction by the electrons. We ...

Structure of Rhenium-Containing Sodium Borosilicate Glass

A series of sodium borosilicate glasses were synthesized with KReO4 or Re2O7, to 10,000 ppm (1 mass%) target Re, to assess effects of large concentrations of rhenium on glass structure and fto estimate solubility of Tc, a radioactive component in low active waste nuclear glasses. Rhenium was used as a surrogate for Tc for laboratory testing, due to similarities in chemistry, ionic size, and red...

Investigation of gamma radiation induced changes in local structure of borosilicate glass by TDPAC and EXAFS

Gamma radiation induced changes in local structure around the probe atom (Hafnium) were investigated in sodium barium borosilicate (NBS) glass, used for immobilization of high level liquid waste generated from the reprocessing plant at Trombay, Mumbai. The (NBS) glass was doped with 181Hf as a probe for time differential perturbed angular correlation (TDPAC) spectroscopy studies, while for stud...

Interatomic potential for vanadium suitable for radiation damage simulations

The ability to predict the behavior of point defects in metals, particularly interstitial defects, is central to accurate modeling of the microstructural evolution in environments with high radiation fluxes. Existing interatomic potentials of embedded atom method type predict disparate stable interstitial defect configurations in vanadium. This is not surprising since accurate first-principles ...

Glass Fabrication And Product Consistency Testing Of Lanthanide Borosilicate Glass For Plutonium Disposition