Files
Document type
ArticleVersion
Published versionPublication date
Publication license
Please use this identifier to cite or link to this item: https://hdl.handle.net/2445/198244
Formation of Interstellar Silicate Dust via Nanocluster Aggregation: Insights From Quantum Chemistry Simulations
Journal Title
Director/Tutor
Journal ISSN
Volume Title
Related resource
Abstract
The issue of formation of dust grains in the interstellar medium is still a matter of debate. One of the most developed proposals suggests that atomic and heteromolecular seeds bind together to initiate a nucleation process leading to the formation of nanostructures resembling very small grain components. In the case of silicates, nucleated systems can result in molecular nanoclusters with diameters ≤ 2 nm. A reasonable path to further increase the size of these proto-silicate nanoclusters is by mutual aggregation. The present work deals with modeling this proto-silicate nanocluster aggregation process by means of quantum chemical density functional theory calculations. We simulate nanocluster aggregation by progressively reducing the size of a periodic array of initially well-separated nanoclusters. The resulting aggregation leads to a set of silicate bulk structures with gradually increasing density which we analyze with respect to structure, energetics and spectroscopic properties. Our results indicate that aggregation is a highly energetically favorable process, in which the infrared spectra of the finally formed amorphous silicates match well with astronomical observations.
Subject (English)
Citation
Citation
RIMOLA GIBERT, Albert and BROMLEY, Stefan Thomas. Formation of Interstellar Silicate Dust via Nanocluster Aggregation: Insights From Quantum Chemistry Simulations. Frontiers In Astronomy And Space Sciences. 2021. Vol. 8. ISSN 2296-987X. [consulted: 16 of June of 2026]. Available at: https://hdl.handle.net/2445/198244