Effect of potential truncations and shifts on the solid-liquid phase coexistence of Lennard-Jones fluids

2010 ◽  
Vol 133 (12) ◽  
pp. 124515 ◽  
Author(s):  
Alauddin Ahmed ◽  
Richard J. Sadus
Keyword(s):  
Liquid Phase ◽  
Phase Coexistence ◽  
Lennard Jones ◽  
And Shifts ◽  
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.

scholarly journals Solid–liquid phase equilibrium for binary Lennard-Jones mixtures

1999 ◽  
Vol 110 (23) ◽  
pp. 11433-11444 ◽  
Author(s):  
Monica R. Hitchcock ◽  
Carol K. Hall
Keyword(s):  
Phase Equilibrium ◽  
Liquid Phase ◽  
Lennard Jones ◽  
Solid Liquid
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