Abstract
AbstractUsing density functional theory based on first‐principles and selecting structure to replace alloy, the electronic properties and mechanical properties of and are investigated in this paper. These properties are compared to investigate the effect of radiation of carbon (C) impurity on lattice when alloy is applied as plasma facing materials in a nuclear fusion device. It is found that carbon impurity can greatly improve the ductility of tungsten (W) metal and tungsten vanadium (WV) alloy in the lattice. For further research, solution energy of one C atom at different positions in lattice is also calculated in this paper. It is found that in the lattice, the C atom is more energetically favorable sitting at the octahedral interstitial site nearest to V atom, with solution energy of 1.25 eV.
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