Multiscale Analysis across Atoms/Continuum by a Generalized Particle Dynamics Method

In this work, a GP method, short for the generalized particle dynamics method, is used to carry on multiscale analysis. The basic assumption of the GP method is that if the basic material structure can be kept the same as the real material at all scales, the multiscale analysis will be more accurate and more effective. Based on this assumption GP divides the simulation region into areas containing particles of different scales, n, where $n=1$ is the atomistic scale and higher values of n correspond to the continuum scale. Natural nonlocal boundary conditions via material neighbor link cells are used for a seamless transition between domains of different scales. An inverse mapping method from the deformed particle domain $\beta_{n}$ into the corresponding atomic domain $\alpha_{n}$ is proposed. All calculations of different scales can be conducted at the corresponding atomic $\alpha_{n}$ domain by the same potential, same parameters, same cutoff radius, and same numerical algorithm. The inverse mapping met...