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Effect of aluminum on hydrogen solubility and diffusion in wrought Fe Mn alloy

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Document pages: 9 pages

Abstract: The diffusion and solubility of hydrogen in aluminum alloy Fe Mn alloy are discussed. The system of interest is affected by tetragonal and isotropic deformation. Based on the ab initio model, we calculate the solution energy, and then use the oriani theory, which reflects the effect of aluminum alloying on diffusion through trap sites. This local equilibrium model is supplemented by Einstein s qualitative consideration of diffusion. Therefore, we apply the mountain climbing image advancing elastic band method to calculate the minimum energy path and energy barrier of hydrogen diffusion. For the diffusivity and solubility of hydrogen, we find that the effect of replacement atoms has both local chemical contribution and nonlocal volume contribution.

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