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首页> 外文期刊>Journal of Nuclear Materials: Materials Aspects of Fission and Fusion >Dynamic Monte-Carlo modeling of hydrogen retention and chemical erosion from Tore Supra deposits
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Dynamic Monte-Carlo modeling of hydrogen retention and chemical erosion from Tore Supra deposits

机译:托雷苏普拉矿床储氢和化学侵蚀的动态蒙特卡洛模拟

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摘要

A multi-scale model has been developed to study the hydrogen retention [A. Rai, R. Schneider, M. Warrier, J. Nucl. Mater. 374 (2008) 304] and chemical erosion of porous graphite. To model the chemical erosion process due to thermal hydrogen ions,Küppers cycle [J. Küppers, Surf. Sci. Rep. 22 (1995) 249; M. Witt-mann, J. Küppers, J. Nucl. Mater. 227 (1996) 186] has been introduced. The model is applied to study hydrogen transport in deposits collected from the leading edge of neutralizers of Tore Supra. The effect of internal structure on chemical erosion is studied. The MD study [E. Salonen et al., J. Nucl. Mater. 290-293 (2001) 144] shows that the experimentally observed decrease of erosion yield at higher fluxes is due to the decrease of carbon collision cross-section at a surface due to shielding by hydrogen atom already present on the surface. Inspired by this study, a simple multi-scale model is developed to describe the flux dependence of chemical erosion. The idea is to use the local chemistry effect from the Küppers model to calculate the hydrocarbon molecule formation process and then to find the release probability of the produced hydrocarbon based on the purely geometrical constraints. The model represents quite well the trends in experimental data.
机译:已经开发了一种多尺度模型来研究氢保留[A。 Rai,R。Schneider,M。Warrier,J。Nucl。母校374(2008)304]和多孔石墨的化学侵蚀。为了模拟由于热氢离子引起的化学侵蚀过程,库珀斯循环[J.库珀斯,冲浪。科学Rep.22(1995)249;维特曼(M. Witt-mann),库珀(J.母校227(1996)186]的介绍。该模型用于研究从Tore Supra中和剂前沿收集的沉积物中的氢迁移。研究了内部结构对化学腐蚀的影响。 MD研究[E. Salonen等,J.Nucl.Chem.Soc。母校290-293(2001)144]表明,实验观察到的在较高通量下的腐蚀产率降低是由于表面上碳碰撞截面的减小,这是由于表面上已经存在的氢原子的屏蔽所致。受此研究的启发,开发了一个简单的多尺度模型来描述化学侵蚀的通量依赖性。这个想法是利用Küppers模型的局部化学效应来计算碳氢化合物分子的形成过程,然后基于纯粹的几何约束条件来确定生产的碳氢化合物的释放概率。该模型很好地代表了实验数据的趋势。

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