Molecular dynamics simulations of atomic carbon on tungsten surface

Zhongshi Yang; Y.M. Yang; G.-H. Lu; G.-N. Luo

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Molecular dynamics simulations of atomic carbon on tungsten surface

机译：钨表面原子碳的分子动力学模拟

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By means of molecular dynamics simulations using bond-order potential, we have investigated the behavior of atomic carbon on both bcc tungsten (001) surface, and amorphous tungsten surface that is formed by a simulated annealing process, at finite temperature (T= 300 K) with incident energy ranging from 0.5 eV to 200 eV. The particle and energy reflection coefficients as well as mean range distribution as a function of incident energy at normal incidence have been calculated and the channeling effect in the energy range above 100 eV has also been discussed. The results are compared with those calculated by Eckstein using binary collision (BC) Code TRIM.SP in the energy range from 55 eV to 200 eV.

机译：通过使用键序势的分子动力学模拟，我们研究了在有限温度（T = 300 K）下，密件抄送钨（001）表面和通过模拟退火工艺形成的非晶钨表面上原子碳的行为）的入射能量范围为0.5 eV至200 eV。计算了粒子和能量的反射系数以及平均范围分布，该范围是法向入射时入射能量的函数，并且还讨论了在100 eV以上的能量范围内的沟道效应。将结果与Eckstein使用二进制碰撞（BC）代码TRIM.SP在55 eV至200 eV的能量范围内计算的结果进行比较。

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《Journal of Nuclear Materials: Materials Aspects of Fission and Fusion》 |2009年第1期|共4页
作者
Zhongshi Yang; Y.M. Yang; G.-H. Lu; G.-N. Luo;
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正文语种 eng
中图分类 723LB001;
关键词
Molecular dynamics; atomic carbon; tungsten;

机译：分子动力学;原子碳;钨;

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Molecular dynamics simulations of atomic carbon on tungsten surface

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