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A semi-empirical fracture model for silicon cleavage fracture and its molecular dynamics study

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Abstract In micro scale, the capability of conventional fracture models is limited due to lacking of micro scale information. In this work, by incorporating crystal information and equivalent transformation, a… Click to show full abstract

Abstract In micro scale, the capability of conventional fracture models is limited due to lacking of micro scale information. In this work, by incorporating crystal information and equivalent transformation, a semi-empirical fracture model for silicon single crystal is constructed. To verify the semi-empirical model, the fracture process is tested by molecular dynamics simulations and theoretical values. The result shows a good agreement between the semi-empirical fracture model and molecular dynamics simulations. And the fracture stresses and fracture toughness can be easily predicated by this model. It provides a link between micro and macro scale fracture for brittle material. And after the equivalent transformation, the fracture of brittle material can be calculated by this semi-empirical model without using conventional crack related parameters.

Keywords: semi empirical; fracture; model; molecular dynamics; empirical fracture; fracture model

Journal Title: Theoretical and Applied Fracture Mechanics
Year Published: 2019

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