scholarly journals Sound Velocities of Lennard-Jones Systems Near the Liquid-Solid Phase Transition

Molecules ◽  
2020 ◽  
Vol 25 (15) ◽  
pp. 3498
Author(s):  
Sergey A. Khrapak
Keyword(s):  
Solid Phase ◽  
Excess Energy ◽  
The Self ◽  
Einstein Relation ◽  
Self Diffusion ◽  
Viscosity Coefficients ◽  
Lennard Jones ◽  
Solid Phase Transition ◽  
Solid Argon ◽  
Sound Velocities

Longitudinal and transverse sound velocities of Lennard-Jones systems are calculated at the liquid–solid coexistence using the additivity principle. The results are shown to agree well with the “exact” values obtained from their relations to excess energy and pressure. Some consequences, in particular in the context of the Lindemann’s melting rule and Stokes–Einstein relation between the self-diffusion and viscosity coefficients, are discussed. Comparison with available experimental data on the sound velocities of solid argon at melting conditions is provided.

scholarly journals Sound Velocities of Generalized Lennard-Jones (n − 6) Fluids Near Freezing

Molecules ◽  
2021 ◽  
Vol 26 (6) ◽  
pp. 1660
Author(s):  
Sergey Khrapak
Keyword(s):  
Phase Transition ◽  
Solid Phase ◽  
Minor Effect ◽  
Soft Sphere ◽  
Lennard Jones ◽  
Solid Phase Transition ◽  
Hard Sphere Models ◽  
A Minor ◽  
Boundary Lines ◽  
Sound Velocities

In a recent paper [S. Khrapak, Molecules 25, 3498 (2020)], the longitudinal and transverse sound velocities of a conventional Lennard–Jones system at the liquid–solid coexistence were calculated. It was shown that the sound velocities remain almost invariant along the liquid–solid coexistence boundary lines and that their magnitudes are comparable with those of repulsive soft-sphere and hard-sphere models at the fluid–solid phase transition. This implies that attraction does not considerably affect the magnitude of the sound velocities at the fluid–solid phase transition. This paper provides further evidence to this by examining the generalized Lennard–Jones (n − 6) fluids with n ranging from 12 to 7 and demonstrating that the steepness of the repulsive term has only a minor effect on the magnitude of the sound velocities. Nevertheless, these minor trends are identified and discussed.

Effect of the computational domain size and shape on the self-diffusion coefficient in a Lennard-Jones liquid

2015 ◽  
Vol 142 (2) ◽  
pp. 024503 ◽  
Author(s):  
Gota Kikugawa ◽  
Shotaro Ando ◽  
Jo Suzuki ◽  
Yoichi Naruke ◽  
Takeo Nakano ◽  
...  
Keyword(s):  
Diffusion Coefficient ◽  
Domain Size ◽  
The Self ◽  
Computational Domain ◽  
Size And Shape ◽  
Self Diffusion ◽  
Lennard Jones ◽  
Self Diffusion Coefficient
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