Related Experiment Video
Updated: Aug 26, 2026

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
Published on: September 17, 2021
Monte Carlo simulation of the nematic-isotropic transition in an isothermal-isobaric ensemble
Abhijit Pal1, Soumen Kumar Roy
1Department of Physics, Jadavpur University, Calcutta 700032, India.
Abstract:
Monte Carlo simulation of a system consisting of 512 cylindrically symmetric particles interacting with each other via a potential which has an isotropic, density dependent part as well as an anisotropic part has been used to simulate the nematic state. The usual Metropolis algorithm is used and the particles are allowed to have translational degrees of freedom along with the orientational one. The simulation has been carried out in an isothermal-isobaric (NPT) ensemble and the multiple histogram technique of Ferrenberg-Swendsen with appropriate modification for the NPT ensemble has been used. The results reveal realistic values of the pseudo-spinoidal temperature and pressure as well as that for the pressure dependence of the nematic-isotropic transition temperature.
Related Concept Videos
Isothermal Processes
An ideal gas can also undergo isothermal expansion or compression.
For example, consider 1 mole of an ideal gas inside an isolated cylinder at initial volume V...
Adiabatic Processes for an Ideal Gas
Equation of State
Heat Capacities of an Ideal Gas III
Heat Capacities of an Ideal Gas II
Variables and Equations of State

