| INFLUENCE OF ALLOYING ELEMENTS ON HYDROGEN DIFFUSION USING SCM-DV-Xα |
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| 作者姓名： | Y.Huang D.M.Xinq |
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| 作者单位： | [1]SchoolofMaterialsScienceandEngineering,TianjinUniversity.Tianjin300072China [2]SchoolofPhysics,TianjinNormalUniversity.Tianjin300071.China |
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| 摘 要： | The influence of alloy composition (Ti,Mn,TiN) on hydrogen diffusion in Fe was studied in detail using SCM-DV-Xα method.The voltage barriers were obtained via calculation on Fe clusters containing the alloy elements such as Ti,Mn as well as the chemical compound TiN respectively.The results showed that Ti element produced deep trap in Fe,decreasing the diffusion coefficient of hydrogen elements，Mn element did not produce deep trap in Fe,decreasing the diffusion coefficient slightly and TiN in Fe produced very deep “trap” decreasing the diffusion coefficient obviously.The calculation results were in agreement with experiment results.
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| 关 键 词： | SCM-DV-Xα 合金元素 扩散 氢 合金钢 |
INFLUENCE OF ALLOYING ELEMENTS ON HYDROGEN DIFFUSION USING SCM-DV-X |
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| Y.Huang D.M.Xinq.INFLUENCE OF ALLOYING ELEMENTS ON HYDROGEN DIFFUSION USING SCM-DV-X[J].Acta Metallurgica Sinica(English Letters),2004,17(1):71-76. |
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| Authors: | Y Huang DM Xing |
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| Affiliation: | School of Physics, Tianjin Normal University, Tianjin 300071, |
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| Abstract: | The inuence of alloy composition (Ti, Mn, TiN) on hydrogen dissusion in Fe was studied in detail using SCM-DV-X method. The voltage barriers were obtained via calculation on Fe clusters containing the alloy elements such as Ti, Mn as well as the chemical compound TiN respectively. The results showed that Ti element produced deep trap in Fe, decreasing the dissusion coeffcient of hydrogen elements, Mn element did not produce deep trap in Fe, decreasing the dissusion coeffcient slightly and TiN in Fe produced very deep \trap" decreasing the dissusion coeffcient obviously. The calculation results were in agreement with experiment results. |
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| Keywords: | hydrogen dissusion SCM-DV-X method cluster |
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