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

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 Investigating the solid-liquid phase transition of water nanofilms using the generalized replica exchange method

2014 ◽  
Vol 141 (18) ◽  
pp. 18C525 ◽  
Author(s):  
Qing Lu ◽  
Jaegil Kim ◽  
James D. Farrell ◽  
David J. Wales ◽  
John E. Straub
Keyword(s):  
Phase Transition ◽  
Liquid Phase ◽  
Replica Exchange ◽  
Exchange Method ◽  
Liquid Phase Transition ◽  
Solid Liquid ◽  
Replica Exchange Method

scholarly journals Solid–liquid phase transition of Lennard-Jones fluid in slit pores under tensile condition

2000 ◽  
Vol 112 (22) ◽  
pp. 9909-9916 ◽  
Author(s):  
Minoru Miyahara ◽  
Hideki Kanda ◽  
Mutsumi Shibao ◽  
Ko Higashitani
Keyword(s):  
Phase Transition ◽  
Liquid Phase ◽  
Liquid Phase Transition ◽  
Lennard Jones ◽  
Slit Pores ◽  
Solid Liquid
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