Molecular dynamics study of surface binding energy and sputtering in W-V alloys

Abstract

This article used molecular dynamics to simulate the surface binding energy of W1-xVx (x = 0, 0.0625, 0.125, 0.25, 0.3125, 0.5) alloys along the (100) direction, considering the volume effect. The results showed that forming an alloy between W and V significantly improved the surface binding energy of W within the simulated proportion range, and the surface binding energy of W increased with increasing V proportion. However, when the simulated surface binding energy was input into the Monte Carlo program (SRIM-2013) to calculate the sputtering yield of W-V alloys, it was found that the alloy with V only greatly reduced the sputtering yield of W in the alloy, and the total sputtering yield of the alloy was higher than that of pure tungsten. Therefore, W still had the best anti-sputtering ability in the simulated material. The obtained results provided a reference for the selection of plasma-facing materials in future nuclear fusion.