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.

GPU-accelerated replica exchange molecular simulation on solid–liquid phase transition study of Lennard-Jones fluids

2014 ◽  
Vol 41 (10-12) ◽  
pp. 874-880 ◽  
Author(s):  
Kentaro Nomura ◽  
Minoru Oikawa ◽  
Atsushi Kawai ◽  
Tetsu Narumi ◽  
Kenji Yasuoka
Keyword(s):  
Phase Transition ◽  
Liquid Phase ◽  
Molecular Simulation ◽  
Replica Exchange ◽  
Liquid Phase Transition ◽  
Lennard Jones ◽  
Transition Study ◽  
Solid Liquid

Molecular Dynamics Studies of Solid–Liquid Phase Transition in 2-D Yukawa Systems

2007 ◽  
Vol 35 (2) ◽  
pp. 332-336 ◽  
Author(s):  
Pter Hartmann ◽  
Zoltn Donko ◽  
Pradip M. Bakshi ◽  
Gabor J. Kalman ◽  
Stamatios Kyrkos
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
Liquid Phase ◽  
Liquid Phase Transition ◽  
Solid Liquid
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