Nucleation of pseudo hard-spheres and dumbbells at moderate metastability: appearance of A15 Frank–Kasper phase at intermediate elongations

2019 ◽  
Vol 21 (4) ◽  
pp. 1656-1670 ◽  
Author(s):  
Itziar Zubieta ◽  
Miguel Vázquez del Saz ◽  
Pablo Llombart ◽  
Carlos Vega ◽  
Eva G. Noya
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Hard Spheres ◽  
Crystal Nucleation ◽  
Brute Force ◽  
Dynamics Simulations

Crystal nucleation of repulsive hard-dumbbells from the sphere to the two tangent spheres limit is investigated at moderately high metastability by brute-force molecular dynamics simulations.

scholarly journals Molecular dynamics simulations of crystallization of hard spheres

2002 ◽  
Vol 66 (6) ◽  
Author(s):  
Igor Volkov ◽  
Marek Cieplak ◽  
Joel Koplik ◽  
Jayanth R. Banavar
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Hard Spheres ◽  
Dynamics Simulations

scholarly journals The structure of clusters formed by Stockmayer supracolloidal magnetic polymers

2019 ◽  
Vol 42 (12) ◽  
Author(s):  
Ekaterina V. Novak ◽  
Elena S. Pyanzina ◽  
Pedro A. Sánchez ◽  
Sofia S. Kantorovich
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Critical Point ◽  
Internal Structure ◽  
Self Assembly ◽  
Hard Spheres ◽  
The Self ◽  
Liquid Transition ◽  
Soft Spheres ◽  
Dynamics Simulations

Abstract. Unlike Stockmayer fluids, that prove to undergo gas-liquid transition on cooling, the system of dipolar hard or soft spheres without any additional central attraction so far has not been shown to have a critical point. Instead, in the latter, one observes diverse self-assembly scenarios. Crosslinking dipolar soft spheres into supracolloidal magnetic polymer-like structures (SMPs) changes the self-assembly behaviour. Moreover, aggregation in systems of SMPs strongly depends on the constituent topology. For Y- and X-shaped SMPs, under the same conditions in which dipolar hard spheres would form chains, the formation of very large loose gel-like clusters was observed (E. Novak et al., J. Mol. Liq. 271, 631 (2018)). In this work, using molecular dynamics simulations, we investigate the self-assembly in suspensions of four topologically different SMPs --chains, rings, X and Y-- whose monomers interact via Stockmayer potential. As expected, compact drop-like clusters are formed by SMPs in all cases if the central isotropic attraction is introduced, however, their shape and internal structure turn out to depend on the SMPs topology. Graphical abstract

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