Study on prediction technology of mechanical properties of aramid fiber based on molecular scale

Abstract

aramid fiber is an organic fiber developed in the mid-s. it is the second generation of high-performance composite reinforcement after carbon fiber. Molecular simulation has unparalleled advantages in scientific research. It can simulate experimental conditions that cannot be achieved in reality. Molecular simulation can be used to control various internal and external conditions of the system, so as to investigate the influence of interested factors on various statistical properties of the model system. In this paper, the PPTA Fiber unit cell model or supercell model constructed according to the actual situation is used to calculate the mechanical property parameters of PPTA Fiber. The main mechanical property parameters calculated include stiffness matrix, flexibility matrix, bulk modulus, shear modulus, Young’s modulus and sound velocity, Lame constant and stress-strain curve in uniaxial tension or compression.