A generalized space-time mathematical homogenization theory, which constructs an equivalent continuum description directly from molecular dynamics (MD) equations, is developed. The noteworthy theoretical findings of this work are: (i) the coarse scale continuum equations (PDEs) obtained from the homogenization of MD equations are identical to those obtained from the classical homogenization of ...

Purpose – Slim and dexterous manipulators with long reaches can perform various exploration and inspection tasks in confined spaces. This paper aims to present the development of such a dexterous continuum manipulator for potential applications in the aviation industry. Design/methodology/approach – Benefiting from a newly conceived dual continuum mechanism and the improved actuation scheme, th...

the presence of van der waals (vdw) force can lead to mechanical instability in freestanding nano-scale actuators. most of the previous researches in this area have exclusively focused on modeling the instability in actuators with one actuating components. while, less attention has been paid to actuators consist of two actuating components. herein, the effect of the vdw force on the instability...

A previously-developed hybrid particle-continuum method [J. B. Bell, A. Garcia and S. A. Williams, SIAM Multiscale Modeling and Simulation, 6:1256-1280, 2008] is generalized to dense fluids and two and three dimensional flows. The scheme couples an explicit fluctuating compressible Navier-Stokes solver with the Isotropic Direct Simulation Monte Carlo (DSMC) particle method [A. Donev and A. L. G...

Starting from an atomistic approach, we have derived a hierarchy of successively more simplified continuum elasticity descriptions for modeling the mechanical properties of suspended graphene sheets. We find that already for deflections of the order of 0.5 A a theory that correctly accounts for nonlinearities is necessary and that for many purposes a set of coupled Duffing-type equations may be...

The quasi-static evolution of an elastoplastic body with a multi-surface constitutive law of linear kinematic hardening type allows the modeling of curved stress-strain relations. It generalises classical small-strain elastoplasticity from one to various plastic phases. Firstly, we briefly recall a mathematical model represented by an initial-boundary value problem in the form a variational ine...

A continuum electromechanical model is proposed to describe the membrane curvature induced by electrostatic interactions in a solvated protein-membrane system. The model couples the macroscopic strain energy of membrane and the electrostatic solvation energy of the system, and equilibrium membrane deformation is obtained by minimizing the electro-elastic energy functional with respect to the di...

Modeling of biomolecular systems plays an essential role in understanding biological processes, such as ionic flow across channels, protein modification or interaction, and cell signaling. The continuum model described by the Poisson-Boltzmann (PB)/Poisson-Nernst-Planck (PNP) equations has made great contributions towards simulation of these processes. However, the model has shortcomings in its...