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Molecular Dynamics Simulation of Bipartite Bimetallic Clusters under Low-Energy Argon Ion Bombardment

机译:低能氩离子轰击下双组分双金属簇的分子动力学模拟

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The evolution of bipartite bimetallic atomic clusters within 5 ps under bombardment with monoenergetic argon ions at the initial energy ranging from 1 eV to 1.4 keV has been simulated by the classical molecular dynamics method with a target obtained from Ni-Al and Cu-Au clusters consisting of 78 and 390 atoms, equally divided between the corresponding monometallic parts, the simulated pairs of which have different heats of intermixing. The changes in the potential energy and temperature, the sputtering yields, and the intensity of the ion-stimulated movement of atoms at the interface of the monometallic parts of clusters of both sizes have been determined as functions of the energy of the bombardment.
机译:用经典的分子动力学方法模拟了由单能氩离子轰击的5 ps内双能双金属原子团簇在初始能量为1 eV到1.4 keV范围内的演化,其靶标由Ni-Al和Cu-Au团簇组成原子数分别为78和390的原子,它们在相应的单金属部分之间平均分配,它们的模拟对具有不同的混合热。已经确定了两种尺寸的团簇的单金属部分的界面处的势能和温度的变化,溅射产率以及原子的离子刺激运动的强度,作为轰击能量的函数。

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