Y. Huang
,
D.M. Xing
金属学报(英文版)
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.
关键词:
hydrogen dissusion
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