Shell Thickness Effect on Melting-Like Behavior, Structural and Dynamic Properties of Al@Fe Core-Shell Nanoparticles from Atomistic Simulations: A Two-Way Movement Reaffirmation
SSRN, ISSN: 1556-5068
2022
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Example: if you select the 1-year option for an article published in 2019 and a metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019. If you select the 3-year option for the same article published in 2019 and the metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019, 2018 and 2017.
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Article Description
The present work is aimed to investigate the effect of shell thickness on melting behavior, and structural and dynamic proper- ties of Al@Fe CSNPs by using molecular dynamics simulations. The results of the calorific curves show a smooth decline in the energy at temperatures greater than room temperature, corresponding to two-way movement between Al and Fe atoms (mixing effect). Here, the stability of the Al@Fe nanoparticle is lost to become an Al-Fe mixed system by an exothermic mechanism. Combining, quantities of the atomic diffusion and structural identification, a stepped structural transition of the system is subsequently observed, where the melting-like temperature was estimated. Furthermore, it is generally observed that the Al@Fe CSNPs with greater stability is obtained with a thick shell and a large size.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=85178524730&origin=inward; http://dx.doi.org/10.2139/ssrn.4101000; https://www.ssrn.com/abstract=4101000; https://dx.doi.org/10.2139/ssrn.4101000; https://papers.ssrn.com/sol3/papers.cfm?abstract_id=4101000; https://ssrn.com/abstract=4101000
Elsevier BV
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