Melting in Na_n clusters described with an empirical embedded-atom potential has been reexamined in the size range 55<=n<=147 with a special attention at sizes close to 130.Contrary to previous findings,premelting effects are also present at such medium sizes,and they turn out to be even stronger than the melting process itself for Na_(133) or Na_(135).These results indicate that the empirical potential is qualitatively inadequate to model sodium clusters.
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机译:以经验嵌入原子势描述的Na_n团簇的熔化已在55 <= n <= 147的尺寸范围内进行了重新检查,尤其是在接近130的尺寸上。与以前的发现相反,在这种中等尺寸下也存在预熔融效应结果证明,它们甚至比Na_(133)或Na_(135)的熔化过程本身还要强。这些结果表明,经验潜力在质量上不足以模拟钠团簇。
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