Transmitting multiple high-frequency phonons across length scales using the concurrent atomistic–continuum method

Coupled atomistic–continuum methods can describe large domains and model dynamic material behavior for a much lower computational cost than traditional atomistic techniques. However, these multiscale frameworks suffer from wave reflections at the interfaces due to numerical discrepancy between fine-scaled coarse-scaled models. Such are non-physical may lead unfavorable outcomes such as artificial heating in region. In this work, we develop technique allow full spectrum of phonons be incorporated into regions periodic concurrent (CAC) framework. This scheme tracks generated various time steps thus allows multiple high-frequency packets travel continuum regions. Simulations performed with method demonstrate ability preserve coherency waves range wavevectors they propagate through domain. work has applications systems defined boundary conditions extended more complex problems involving randomly nucleated an impact within