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Molecular Dynamics Simulation of Ion Sputtering of a Sodium Chloride Solution

机译:氯化钠溶液离子溅射的分子动力学模拟

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The sputtering of an aqueous solution of sodium chloride with a concentration of 0.5 mol/L under bombardment by 1-20 positive ions with initial energies of 50-500 eV has been simulated by a molecular dynamics method. It has been found that the transfer of solute cations and anions to a gas phase requires a threshold energy of bombardment. It has been shown that the solute components occurred in the gas phase both as hydrated ions and in the form of ion pairs in the composition of water clusters. As the energy input into the cell reached similar to 0.33 eV/particle, the clusters of five or more water molecules were predominantly sputtered.
机译:通过分子动力学方法模拟了1-20次抗轰炸浓度为0.5mol / L的氯化钠水溶液的溅射,通过分子动力学方法模拟了50-500eV的初始能量。 已经发现,将溶质和阴离子转移到气相需要轰炸的阈值能量。 已经证明,溶质组分在气相中发生作为水合离子和水簇组合物中的离子对的形式。 随着输入到电池的能量与0.33eV /粒子相似,主要溅射五个或更多个水分子的簇。

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