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Formation and properties of astrophysical carbonaceous dust

机译:天体碳质粉尘的形成和性质

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摘要

The classical theory of grain nucleation suffers from both theoretical and predictive deficiencies. We strive to alleviate these deficiencies in our understanding of dust formation and growth by utilizing an atomistic model of nucleation. Carbon cluster geometries are determined with a set of global minimization algorithms. Using density functional theory, the binding energies of carbon clusters from n=2 to n = 99 are then calculated. These energies are used to calculate the critical size and nucleation rate of carbon clusters.
机译:晶粒成核的经典理论在理论和预测上都存在缺陷。我们努力通过利用原子核成核模型来减轻对粉尘形成和生长的认识上的这些不足。碳簇的几何形状由一组全局最小化算法确定。然后使用密度泛函理论计算碳簇从n = 2到n = 99的结合能。这些能量用于计算碳簇的临界尺寸和成核速率。

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