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An appalication of the classical trajectory monte carlo method to the study of collisions between highly charged ions and surfaces

机译:经典轨迹蒙特卡洛法在高电荷离子与表面碰撞研究中的应用

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We have developed a classical trajectory Monte Carlo code for use in the study of collisions between highly charged ions and systems with multiple targets, such as surfaces. We have simulated a collision between the bare ions C~(6+), Kr~(36+), Ne~(10+), Ar~(18+), and Xe~(54+), and a configuration of approximately 400 individual atoms. The projectile has an initial energy of 0.25 keV/u with the velocity perpendicular to the surface. TSo simulate a simplified surface, the target atoms arre held in a simple cubic lattice arrangement by the use of Morse potentials between target nuclei. Each target nucleus has one electron with a binding energy of 12 eV initially localized about it. INitial conditions of the electrons are restricted to represent the 20 electrons of LiF anions. The forces between all particles are calculated at each step in the simulation and the trajectory of every particle is followed. Results for the critical radius of capture, and the principal numbers are show. Details of the capture of the first three electrons by Ar~(18+) as it approaches the surface are given.
机译:我们已经开发出了经典的轨迹蒙特卡罗代码,用于研究高电荷离子与具有多个目标(例如表面)的系统之间的碰撞。我们模拟了裸离子C〜(6 +),Kr〜(36 +),Ne〜(10 +),Ar〜(18+)和Xe〜(54+)之间的碰撞,其构型约为400个单独的原子。弹丸的初始能量为0.25 keV / u,速度垂直于表面。因此,模拟简化表面,利用目标原子核之间的莫尔斯电势将目标原子保持在简单的立方晶格排列中。每个目标原子核都有一个电子,其结合能最初位于其周围为12 eV。电子的初始条件被限制为代表LiF阴离子的20个电子。在模拟的每个步骤中计算所有粒子之间的力,并遵循每个粒子的轨迹。显示了临界捕获半径的结果以及本金。给出了Ar〜(18+)接近表面时对前三个电子的捕获的详细信息。

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