Multiscale Design and Modeling of Protein-based Nanomechanisms for Nanorobotics

In this paper, we present a novel approach that makes use of multiscale and multiphysics modeling coupled to virtual reality for nanorobotic prototyping systems. First, a CAD-assisted assembly system that integrates principles for a multiscale approach into a nanorobotics structure design is presented. Then, we focus on the different design levels, more specifically, the optimization of geometry structure carried out by quantum mechanics, molecular dynamics and continuum mechanics methodologies. As an illustration of the proposed multiscale modeling concepts, we test the dynamic characteristics of a molecular sarcomere mechanism through steered molecular dynamics (SMD) simulations. The nano-kinematic parallel platform is composed of protein-based passive kinematic chains and actuated by myosin actuators. Multiscale simulations and experiments prove the effectiveness and accuracy of the proposed design and modeling approaches.