Threshold displacement energy of tungsten with solute deuterium by molecular dynamics

Threshold of displacement energy of tungsten with various concentrations of deuterium placed randomly in the atomic lattice. The values were gained by molecular dynamics simulations by using EAM potential by D. Mason (Daniel R Mason et al 2023 J. Phys.: Condens. Matter 35 495901). PKA was given kinetic energy to 118 different crystallographic directions at 40 K temperature. 50 repetitions were performed for each direction.

The files contain the lattice directions (columns 1-3) of [100], [010], and [001]. Fourth column is the mean value of the threshold displacement energy. Fifth column is the standard deviation. Sixth column is the standard error based on the 50 repetitions. The file includes a header and 118 different directions without redundancy. A full map of threshold displacement energies can be obtained by interpolating the data.