복합재료역학을 이용한 콜라겐 단백질 마이크로피브릴의 탄성율 예측 개선

Abstract

The effective Young’s modulus of a microfibril surrounded by water may be simply calculated by using the upper (Voigt) and lower (Reuss) bounds, which is one way to estimate the Young’s modulus in composite materials. The Steered Molecular Dynamics (SMD) has been used for estimating the Young’s modulus of a microfibril surrounded by water. In this paper, the result estimated by the upper (Voigt) and lower (Reuss) bounds shows 9.2% to 21.8% discrepancy from the result estimated by SMD, but introducing “efficiency of reinforcement parameter” removes the discrepancy and shows good agreement with the result estimated by SMD. We found the best fit for the Young’s modulus against the size of the gap between microfibrils. Also the steps using these bounds are much simpler than SMD.