Modeling of hydrogen implantation into graphite
Modeling of hydrogen implantation into graphite
复制标题
石墨中氢注入的建模
DOI：
10.1063/1.341234
复制
发表时间：
1988
影响因子：
3.2
通讯作者：
B. Scherzer
中科院分区：
文献类型：
--
作者：
W. Moeller;B. Scherzer
一种新的理论框架已经建立，它适用于氢同位素在石墨中的注入以及离子诱导释放。它为局部饱和与混合的简单模型的预测提供了物理基础并进行了细化。该模型处理了缺陷处的俘获以及通过核碰撞使被俘获原子的局部释放。离子沉积和损伤函数取自TRIM模拟。脱俘的原子可能会再次被俘获或重新结合成分子，然后这些分子通过快速分子扩散被输送到表面，随后释放出来。通过在模型计算中选择合适的速率常数，可以对石墨中氘核的注入和高通量自释放的不同实验结果进行一致的解释。实例涵盖了作为温度和能量函数的饱和度、深度分布、气体再释放、热脱附以及预损伤的影响。
A new theoretical framework has been developed which is applicable to the implantation and ion‐induced release of hydrogen isotopes in graphite. It provides a physical basis and a refinement of the predictions of the simple model of local saturation and mixing. The model treats the trapping at defects and a local release of trapped atoms by nuclear knock‐on. Ion deposition and damage functions are taken from trim simulations. The detrapped atoms may become retrapped or recombine to molecules, which then are transported to the surface by fast molecular diffusion, and subsequently released. By the choice of suitable rate constants in the model calculations, different experimental findings for the implantation and high‐fluence self‐reemission of deuterons in graphite may be explained consistently. Examples cover the saturation as a function of temperature and energy, depth profiles, gas reemission, thermal desorption, and effects of predamage.