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• W2124640417 abstract "We study the fragmentation kinetics of icosahedral Ar 12 (Ar) and Ar 12 (Ar + ) clusters in the temperature range 10–300 K, using a classical dynamics method for detailed forms of host–host and host–guest interaction energies composed of short‐ and long‐range terms. The fragmentation of host atoms in charged clusters is ~20% and weakly dependent on temperature, whereas that of neutral clusters is less efficient but shows moderate temperature dependence. The dominant products from Ar 12 (Ar + ) are 10‐Ar and 9‐Ar clusters, but a wider size distribution is found for Ar 12 (Ar) with the principal products 11‐ and 10‐Ar clusters. The fragmentation of Ar 12 (Ar + ) occurs on two timescales; rapid fragmentation at short time with rate coefficients ~3 × 10 11 /s, and slow process at long time with ~2 × 10 10 /s. In neutral clusters, the extent of fragmentation is low during the early period with rate coefficients ~5 × 10 9 /s. The fragmentation dynamics is distinctly different from Ar 12 (Ar + ), which is attributed to an escaping host atom promoting the dissociation of neighbors, a host–host cooperative effect leading to a sigmoidal rise of fragmentation. The effect is present in the temperature range 100–300 K. Fragmentation kinetics of neutral clusters is discussed in detail." @default.
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• W2124640417 date "2015-01-19" @default.
• W2124640417 modified "2023-10-16" @default.
• W2124640417 title "Fragmentation Kinetics of Icosahedral Clusters: Ar₁₂(Ar) and Ar₁₂(Ar⁺)" @default.
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• W2124640417 doi "https://doi.org/10.1002/bkcs.10098" @default.
• W2124640417 hasPublicationYear "2015" @default.
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