Surgical dissection of ignition behavior of aluminum nanoparticles using molecular dynamics
Aluminum nanoparticles (ANPs) show great promise in energy technology, yet their atomic behavior during ignition remains a puzzle. This study provides insights into atomic migration processes within ANPs of different chemical layers during ignition and combustion, inspired by surgical peeling techni...
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Veröffentlicht in: | Fuel (Guildford) 2025-02, Vol.381, p.133316, Article 133316 |
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Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | Aluminum nanoparticles (ANPs) show great promise in energy technology, yet their atomic behavior during ignition remains a puzzle. This study provides insights into atomic migration processes within ANPs of different chemical layers during ignition and combustion, inspired by surgical peeling techniques. The research reveals that cavity formation in ANPs is inevitable due to disparities in atomic migration rates between core and surface areas, with core aluminum atoms experiencing sudden and significant stress alterations crucial for cavity formation. A linear trend in atom counts across radial layers correlates with particle geometry, influencing reactivity and morphological changes. The proposed Bond Environment Change (BEC) analysis reveals that oxygen atoms in the ANP shell undergo a three-phase evolution: intensive bonding, gradual relaxation, and stable configuration, reflecting the dynamic transformation of the oxide layer during the reaction process. While this research provides a deeper understanding of ANP ignition and combustion mechanisms, it may serve as a reference for refining ANP synthesis and guiding further inquiries in the field of nanoparticle-based energy technologies. |
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ISSN: | 0016-2361 |
DOI: | 10.1016/j.fuel.2024.133316 |