Continuum model for polymers with finite thickness

A Continuum Model For Stone-wales Defected Carbon Nanotubes

In this paper, a continuum model is proposed so that a Stone-Wales (SW) defected carbon nanotube (CNT) is replaced by an initial circumferential crack in a continuum cylindrical shell. For this purpose, the critical energy release rate and then the fracture toughness of a defected CNT are calculated using the results of an existing atomistic-based continuum finite element simulation. Finally, t...

Nonlinear Continuum Mechanics for Finite Element Analysis

Finite-size scaling functions for directed polymers

The exact solution of directed self-avoiding walks confined to a slit of finite width and interacting with the walls of the slit via an attractive potential has been recently calculated. The walks can be considered to model the polymerinduced steric stabilization and sensitized flocculation of colloidal dispersions. The large-width asymptotics led to a phase diagram different to that of a polym...

Coupling Methods for Continuum Model with Molecular Model

Coupling methods for continuum models with molecular models are developed. Two methods are studied here: an overlapping domain decomposition method, which has overlapping domain, and an edge-to-edge decomposition method, which has an interface between two models. These two methods enforce the compatibility on the overlapping domain or interface nodes/atoms by the Lagrange multiplier method or t...

Finite representations of continuum environments.

Understanding dissipative and decohering processes is fundamental to the study of quantum systems. An accurate and generic method for investigating these processes is to simulate both the system and environment, which, however, is computationally very demanding. We develop a novel approach to constructing finite representations of the environment based on the influence of different frequency sc...