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

XL Li and X Zhang and YH Xu and GJ Lei and SQ Liu and H Li and ZL Cui and YQ Zhu and J Hu and SF Geng and XC Chen and HF Liu and XQ Wang and J Huang and H Liu and J Cheng and JF Shen and H Lan and CJ Tang, FUSION ENGINEERING AND DESIGN, 195, 113971 (2023).

DOI: 10.1016/j.fusengdes.2023.113971

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.

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