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Nanotwin; silicon; molecular dynamics

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Nanotwin-induced strengthening in silicon: A molecular dynamics study

Mechanical performance of silicon nanopillars with homogeneous and gradient nanotwinned structures are investigated through a series of molecular dynamics simulations. The most observed Σ3 twin boundary (TB) with two preferable (lowest surface energy) planes of {111} and {001} are used to generate homogeneous and gradient nanotwinned structures. Simulations of compression and tension of nanotwinned pillars reveal an extra strengthening behavior due to the addition of Σ3 TBs when compared to the single crystalline nanopillar without any TBs.

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