Multiscale design and modeling of nanorobots

Nanorobotic structure design and modeling require large-scale computer simulation tools and numerical algorithms in order to better understand, control and accelerate development of multiscale nanosystems. Research on modeling and simulation of physical, chemical and biological systems at the nanoscale will include techniques such as quantum mechanics, multi-particle simulation, molecular dynamics simulation, grain and continuum based models. In this paper, we present a novel approach that makes use of multi-scale and multi- physics modeling coupled to virtual reality for nanorobotic prototyping systems. First, a CAD system that integrated principles for multiscale approach in nanorobotics structure design is presented. Then, we focus in the different design levels, more specifically, the optimization of geometry structure carried out by quantum mechanics, molecular dynamics and continuum mechanics methodologies. As illustration of the proposed multiscale modeling concepts, we tested by simulation the dynamics characteristics of a nanorobotic parallel platform with one degree-of-freedom (DOF) composed of proteins-based passive kinematic chains and actuated by a viral protein-based nanoactuator. Multiscale simulations proved the effectiveness and accuracy of the proposed design and modeling approaches.