Atomistic Assessment of Cystine Kidney Stone Behavior in a Mechanical Breakdown Process by Nanobiorobots through Classical Molecular Dynamics Simulations.

Because cystine kidney stones are a more serious challenge for health-related quality of life than other types of kidney stones, the search for a new treatment for cystinuria is considered the main goal of this study. To achieve the defined goal, classical molecular dynamics simulations and quantum mechanics calculations were implemented in this study. Three nanodrills with different stiffnesses (i.

Nonclassical dynamic modeling of nano/microparticles during nanomanipulation processes.

Since the manipulation of particles using atomic force microscopy is not observable in real-time, modeling the manipulation process is of notable importance, enabling us to investigate the dynamical behavior of nanoparticles. To model this process, previous studies employed classical continuum mechanics and molecular dynamics simulations which had certain limitations; the former does not consider size effects at the nanoscale while the latter is time consuming and faces computational restrictions. To optimize accuracy and computational costs, a new nonclassical modeling of the nanomanipulation process based on the modified couple stress theory is proposed that includes the size effects.