Fluids of hard-core triatomic molecules. Computer simulations of polyatomic molecules. Part 4.—Monte Carlo simulations of hard-core triatomics

1978 ◽  
Vol 66 (0) ◽  
pp. 27-38 ◽  
Author(s):  
W. B. Streett ◽  
D. J. Tildesley
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Computer Simulations ◽  
Hard Core ◽  
Polyatomic Molecules ◽  
Triatomic Molecules

Self-assembly of conformationally flexible molecules under 2D confinement: structural analysis from computer simulations

2018 ◽  
Vol 54 (63) ◽  
pp. 8749-8752 ◽  
Author(s):  
Damian Nieckarz ◽  
Paweł Szabelski
Keyword(s):  
Monte Carlo ◽  
Structural Analysis ◽  
Monte Carlo Simulations ◽  
Computer Simulations ◽  
Self Assembly ◽  
Flexible Molecules

Monte Carlo simulations reveal the role of surface conformers in self-assembly on crystalline supports.

scholarly journals Monte Carlo simulations of two-dimensional hard core lattice gases

2007 ◽  
Vol 126 (11) ◽  
pp. 114508 ◽  
Author(s):  
Heitor C. Marques Fernandes ◽  
Jeferson J. Arenzon ◽  
Yan Levin
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Hard Core ◽  
Lattice Gases ◽  
Two Dimensional

scholarly journals Auxeticity enhancement due to size polydispersity in fcc crystals of hard-core repulsive Yukawa particles

Soft Matter ◽  
2017 ◽  
Vol 13 (43) ◽  
pp. 7916-7921 ◽  
Author(s):  
Paweł M. Pigłowski ◽  
Jakub W. Narojczyk ◽  
Krzysztof W. Wojciechowski ◽  
Konstantin V. Tretiakov
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Elastic Properties ◽  
Poisson’S Ratio ◽  
Hard Core ◽  
Poisson's Ratio ◽  
Negative Poisson’S Ratio ◽  
Negative Poisson's Ratio ◽  
Size Of Particles

In this work we present results of Monte Carlo simulations of the elastic properties of Yukawa crystals with the polydispersity of size of particles. The results of our studies reveal an enhancement of negative Poisson's ratio (further referred to as auxeticity) due to size polydispersity in the system. We introduce a measure of auxeticity to estimate quantitatively an enhancement of auxetic properties which can be used to assess those changes in various systems.

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