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热脱附谱线分析已广泛用于研究高强钢中氢原子的吸收与扩散行为,以及氢原子与氢陷阱之间的反应动力学参数等。通过分析热脱附谱线峰值温度可获取氢陷阱的最重要参数:氢陷阱与氢原子之间的结合能。采用McNabb-Foster模型系统模拟研究钢中氢的热脱附谱线的影响因素。结果表明:除氢原子与氢陷阱之间的结合能之外,热脱附实验加热速率以及初始实验温度,样品尺寸、形状,氢原子在氢陷阱中的初始占有率,以及在样品中的分布等均能影响热脱附谱线的峰值温度以及形状,从而对氢陷阱与氢原子之间的结合能分析产生影响。同时基于局域平衡模型的模拟结果发现热脱附过程中氢原子从低结合能氢陷阱解析后可再次被高结合能陷阱捕获。
Thermal desorption spectroscopy analysis has been widely used to study hydrogen absorption and diffusion in high-strength steel, as well as reaction kinetic parameters between hydrogen atoms and hydrogen traps. The most important parameter of the hydrogen trap is obtained by analyzing the peak temperature of the thermal desorption line: the binding energy between the hydrogen trap and the hydrogen atom. The McNabb-Foster model system was used to simulate the influencing factors of the thermal desorption spectra of hydrogen in steel. The results show that in addition to the binding energy between the hydrogen atoms and the hydrogen trap, the heating rate of the thermal desorption experiment as well as the initial experimental temperature, the sample size, the shape, the initial occupancy of the hydrogen atom in the hydrogen trap, and the distribution in the sample Etc. can affect the peak temperature and shape of the thermal desorption line, which will affect the binding energy analysis between hydrogen traps and hydrogen atoms. Simultaneously, the simulation results based on the local equilibrium model show that the hydrogen atoms in the thermal desorption process can be trapped again by the high binding energy trap after being resolved from the low binding energy hydrogen trap.