Solid–liquid phase coexistence of the Lennard-Jones system through phase-switch Monte Carlo simulation

2004 ◽  
Vol 120 (7) ◽  
pp. 3130-3141 ◽  
Author(s):  
Jeffrey R. Errington
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Liquid Phase ◽  
Phase Coexistence ◽  
Lennard Jones ◽  
Solid Liquid

COMPARISON BETWEEN MOLECULAR DYNAMICS AND MONTE CARLO DESCRIPTIONS OF SOLID–LIQUID PHASE-TRANSITION OF LENNARD–JONES FLUIDS

2010 ◽  
Vol 21 (03) ◽  
pp. 349-363 ◽  
Author(s):  
A. S. MARTINS ◽  
C. X. S. SEIXAS ◽  
L. B. dos SANTOS ◽  
P. R. RIOS
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
Monte Carlo ◽  
Liquid Phase ◽  
Structural Evolution ◽  
Liquid Phase Transition ◽  
Monte Carlo Techniques ◽  
Lennard Jones ◽  
Liquid Transition ◽  
Solid Liquid

Molecular dynamics and Monte Carlo techniques are employed for the study of Lennard–Jones fluids near the solid–liquid transition region. Systematic comparisons between the predictions of both techniques are discussed, with particular emphasis on the structural evolution and location of the transition (melting) temperature Tm.

Thermodynamic properties of the Lennard-Jones FCC solid: perturbation theory parameterisation and Monte Carlo simulation

2019 ◽  
Vol 118 (1) ◽  
pp. e1582813 ◽  
Author(s):  
Mostafa Abolala ◽  
Kiana Peyvandi ◽  
Farshad Varaminian ◽  
Seyed Majid Hashemianzadeh
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Perturbation Theory ◽  
Thermodynamic Properties ◽  
Lennard Jones

Monte Carlo simulation of the effects of adsorption on interparticle forces

1980 ◽  
Vol 33 (2) ◽  
pp. 231 ◽  
Author(s):  
JE Lane ◽  
TH Spurling
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Liquid Phase ◽  
Degrees Of Freedom ◽  
Distribution Functions ◽  
Radial Distribution Functions ◽  
Monte Carlo Simulation Study ◽  
Interparticle Forces ◽  
Surface Transition ◽  
New Type

A Monte Carlo simulation study of the force between two adsorbing walls is described. The adsorbate is in equilibrium with either a bulk gas or a liquid phase. The force is correlated with the adsorption, singlet and radial distribution functions, all of which vary with the distance of separation of the walls, when this is of the order of a few atomic diameters. When the bulk phase is a gas, a new type of surface transition occurs in which the distance of wall separation is one of the determining degrees of freedom.

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