Hybrid molecular dynamics-continuum simulation for nano/mesoscale channel flows
نویسندگان
چکیده
منابع مشابه
Hybrid molecular-continuum fluid dynamics.
We describe recent developments in the hybrid atomistic/continuum modelling of dense fluids. We discuss the general implementation of mass, momentum and energy transfers between a region described by molecular dynamics and a neighbouring domain described by the Navier-Stokes equations for unsteady continuum fluid flow.
متن کاملHybrid molecular-continuum methods for micro- and nanoscale liquid flows
Many flows at microscale and below are characterised by an inherent multiscale nature and accurate numerical modelling of the phenomena involved is the cornerstone for enhancing the applicability of micro and nanofluidics in the industrial environment. This paper presents a hybrid molecular-continuum strategy named as point wise coupling for studying complex microand nanoscale flows. In this st...
متن کاملA coupled molecular-continuum hybrid model for the simulation of macromolecular dynamics
We describe a hybrid simulation method that captures the combined effects of molecular and hydrodynamic forces which influence macromolecules in solution. In this method, the solvent contribution is accounted for implicitly as the Navier-Stokes equations are solved on a grid using a finite volume method, while we use coarse-grained molecular dynamics to describe the macromolecule. The two syste...
متن کاملMultiscale gas-kinetic simulation for continuum and near-continuum flows.
It is well known that for increasingly rarefied flow fields, predictions from continuum formulations, such as the Navier-Stokes equations, lose accuracy. The inclusion of higher-order terms, such as Burnett or high-order moment equations, could improve the predictive capabilities of such continuum formulations, but there has been only limited success. Here, we present a multiscale model. On the...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Microfluidics and Nanofluidics
سال: 2007
ISSN: 1613-4982,1613-4990
DOI: 10.1007/s10404-007-0202-3