Related Experiment Video
Updated: Jul 17, 2026

Controlling Flow Speeds of Microtubule-Based 3D Active Fluids Using Temperature
Published on: November 26, 2019
Molecular dynamics simulation of planar elongational flow at constant pressure and constant temperature
1Centre for Molecular Simulation, Swinburne University of Technology, P.O. Box 218, Hawthorn, Victoria 3122, Australia.
Abstract:
Molecular dynamics simulations of liquid systems under planar elongational flow have mainly been performed in the NVT ensemble. However, in most material processing techniques and common experimental settings, at least one surface of the fluid is kept in contact with the atmosphere, thus maintaining the sample in the NpT ensemble. For this reason, an implementation of the Nose-Hoover integral-feedback mechanism for constant pressure is presented, implemented via the SLLOD algorithm for elongational flow. The authors test their procedure for an atomic liquid and compare the viscosity obtained with that in the NVT ensemble. The scheme is easy to implement, self-starting and reliable, and can be a useful tool for the simulation of more complex liquid systems, such as polymer melts and solutions.
Related Concept Videos
Steady, Laminar Flow in Circular Tubes
Steady, Laminar Flow Between Parallel Plates
Couette Flow
Application of the Linear Momentum Equation
The goal is to determine the force components in the x and y directions to hold the pipe in place. Since...
Fluid Pressure over Curved Plate of Constant Width
Newtonian Fluid: Problem Solving
A velocity gradient forms within the fluid when a Newtonian fluid is placed between two parallel plates, with...

