BCC 金属中氢扩散的统计模型

Q4 Physics and Astronomy Defect and Diffusion Forum Pub Date : 2023-12-12 DOI:10.4028/p-rbcq6Z
Serhii Bobyr, J. Odqvist
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引用次数: 0

摘要

这项工作的目的是建立 BCC 金属晶格中氢扩散的统计模型,并估计量子效应的贡献和阿伦尼乌斯方程的偏差。统计模型计算出的铁、钒、铌和钽中的氢扩散系数值与实验数据十分吻合。统计模型还能解释铁和铌在温度 300-500 K 时与阿伦尼乌斯方程的偏差。300K 温度下扩散系数的向下偏差可以用统计模型没有考虑 300K 以下温度下的隧道效应这一事实来解释。据认为,在低于 500 K 的温度下,氢原子通过势垒的热激活快速隧穿转变提供了 H 原子在 α-Fe 和 V 中几乎自由的运动。
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Statistical Model of Hydrogen Diffusion in BCC Metals
The purpose of this work is developing of the statistical model of hydrogen diffusion in the crystal lattice of BCC metals with an estimate of the contribution of quantum effects and deviations from the Arrhenius equation. The values of the statistical model calculations of H diffusion coefficients in Fe, V, Nb and Ta are in good agreement with the experimental data. The statistical model can also explain deviations from the Arrhenius equation at temperatures 300-500 K in Fe and Nb. The downward deviation of the diffusion coefficient at 300K can be explained by the fact that the statistical model does not consider the tunneling effect at temperatures below 300K. It was suggested that thermally activated fast tunnelling transition of hydrogen atoms through the potential barrier at temperatures below 500 K provides an almost free movement of H atoms in the α-Fe and V. Using the statistical model allows for the prediction of the diffusion coefficient for H in BCC metals at intermediate temperatures.
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来源期刊
Defect and Diffusion Forum
Defect and Diffusion Forum Physics and Astronomy-Radiation
CiteScore
1.20
自引率
0.00%
发文量
127
期刊介绍: Defect and Diffusion Forum (formerly Part A of ''''Diffusion and Defect Data'''') is designed for publication of up-to-date scientific research and applied aspects in the area of formation and dissemination of defects in solid materials, including the phenomena of diffusion. In addition to the traditional topic of mass diffusion, the journal is open to papers from the area of heat transfer in solids, liquids and gases, materials and substances. All papers are peer-reviewed and edited. Members of Editorial Boards and Associate Editors are invited to submit papers for publication in “Defect and Diffusion Forum” . Authors retain the right to publish an extended and significantly updated version in another periodical.
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