Atomistic-to-particle multiscale coupling method for adiabatic shear banding simulation

An atomistic-to-particle (AtP) multiscale coupling method is proposed to study the initiation of adiabatic shear band (ASB) under shock loadings from both macro and micro aspect. A non-interpolation coupling technique is used to construct the atomistic boundary condition between micro and macro method, and atomistic contribution to internal force is also incorporated in the overlapping region. Combining with the mixture criterion of critical strain and temperature, this AtP method has been successfully applied to study the micro mechanism of ASB onset for hat-shaped metal sample. Multiscale simulation results at the time of ASB onset indicate that highly strain localization and rapid temperature rise are main reasons for ASB initiation. Numerical results are validated by experimental observations.