ArticleJournal of molecular modeling2021
Theory for designing mechanically stable single- and double-walled SiGe nanopeapods.
Article in Journal of molecular modeling, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Herein, we utilized molecular dynamic (MD) simulations using LAMMPS software and selecting Tersoff and Lennard-Jones potentials to design and investigate mechanical properties of (8,8), (9,9), (10,10), and (11,11) single-walled and (8,8)@(11,11) double-walled silicon-germanium (SiGe) armchair nanopeapods. The number of encapsulated fullerenes and the working temperature were changed as variables to evaluate the mechanical properties. The larger nanopeapods had lower Young's modulus and failure strain, but, surprisingly enough, no significant variation was found in failure strain values by increasing the number of Si
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