Universality of the onset of activated transport in Lennard-Jones liquids with tunable coordination: Implications for the effects of pressure and directional bonding on the crossover to activated transport, configurational entropy, and fragility of glassforming liquids

2012 ◽  
Vol 136 (8) ◽  
pp. 084504 ◽  
Author(s):  
Pyotr Rabochiy ◽  
Vassiliy Lubchenko
Keyword(s):  
Configurational Entropy ◽  
Lennard Jones ◽  
Directional Bonding

Numerical study of the low-frequency atomic dynamics in a Lennard-Jones glass

1998 ◽  
Vol 77 (2) ◽  
pp. 473-484 ◽  
Author(s):  
M. Sampoli, P. Benassi, R. Dell'Anna,
Keyword(s):  
Numerical Study ◽  
Low Frequency ◽  
Lennard Jones

Equation of state of a Lennard-Jones 12-6 pairwise additive fluid

1980 ◽  
Vol 45 (4) ◽  
pp. 977-983 ◽  
Author(s):  
Jan Sýs ◽  
Anatol Malijevský
Keyword(s):  
Equation Of State ◽  
Empirical Equation ◽  
The State ◽  
Critical Properties ◽  
Lennard Jones ◽  
State Behaviour ◽  
Compressibility Factors

An empirical equation of state was proposed, which is based on pseudoexperimental data on the state behaviour. The equation can be used at reduced temperatures from the range 0.7-100.0 and reduced densities up to 2. Calculated compressibility factors and critical properties agree well with available literature data.

Multicanonical Molecular Dynamics Simulation Study of the Liquid-Solid and Solid-Solid Transitions in Lennard-Jones Clusters

2011 ◽  
Author(s):  
Toshihiro Kaneko ◽  
Kenji Yasuoka ◽  
Ayori Mitsutake ◽  
Xiao Cheng Zeng
Keyword(s):  
Molecular Dynamics ◽  
Heat Capacity ◽  
Transition Temperature ◽  
Peak Position ◽  
Temperature Curve ◽  
Dynamics Simulation ◽  
Lennard Jones ◽  
Dynamics Simulations ◽  
First Time ◽  
Good Agreement

Multicanonical molecular dynamics simulations are applied, for the first time, to study the liquid-solid and solid-solid transitions in Lennard-Jones (LJ) clusters. The transition temperatures are estimated based on the peak position in the heat capacity versus temperature curve. For LJ31, LJ58 and LJ98, our results on the solid-solid transition temperature are in good agreement with previous ones. For LJ309, the predicted liquid-solid transition temperature is also in agreement with previous result.

Does a Lennard-Jones glass exist?

1998 ◽  
Vol 224 (1) ◽  
pp. 86-88 ◽  
Author(s):  
V.A Shneidman ◽  
D.R Uhlmann
Keyword(s):  
Lennard Jones
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