A multiscale framework for composites considering interphase based on molecular dynamics and finite element method.

Conventional micromechanical experiments have difficulties in measuring the normal strength of the fiber/matrix interphase. In this paper, molecular dynamics simulations were used to construct the interphase models from molecular scale and investigate the normal and tangential strength of the fiber/matrix interphase. Furthermore, a multiscale framework for composites considering interphase based on molecular dynamics and finite element method was constructed and validated by transverse fiber bundle tensile (TFBT) experiments used to indirectly measure the interfacial normal strength in the literature. The results showed that the interfacial normal and tangential strengths were 100.9 MPa and 51.9 MPa, respectively. The prediction error of the TFBT specimens by the newly constructed multiscale framework was less than 2%, and the failure mode was the same as that observed in the experiments. The good agreement between the experimental and simulation results indicates that the method can provide a way to study the structural analysis of fiber-reinforced composites. [ABSTRACT FROM AUTHOR]