【摘 要】
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We investigate the structure,energetics,and the ideal tensile strength of tungsten(W)with hydrogen(14)using a first-principles method.Both density of states(DOS
【机 构】
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Department of Physics,Beijing University of Aeronautics and Astronautics,Beijing 100191
论文部分内容阅读
We investigate the structure,energetics,and the ideal tensile strength of tungsten(W)with hydrogen(14)using a first-principles method.Both density of states(DOS)and the electron localization function(ELF)reveal the underlying physical mechanism that the tetrahedral interstitial H is the most energetically favorable.The firstprinciples computational tensile test(FPCTT)shows that the ideal tensile strength is 29.1 GPa at the strain of14% along the[001]direction for the intrinsic W,while it decreases to 27.1 GPa at the strain of 12% when one impurity H atom is embedded into the bulk W.These results provide a useful reference to understand W as a plasma facing material in the nuclear fusion Tokamak.
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