4.6 Article

Structures Formed by Particles with Shoulderlike Repulsive Interaction in Thin Systems

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ACS OMEGA
卷 8, 期 33, 页码 30450-30458

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AMER CHEMICAL SOC
DOI: 10.1021/acsomega.3c03624

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When particles are assembled between two parallel flat walls, unique structures are formed that are not observed in bulk systems. The structures created depend on the distance between the walls. Using isothermal-isobaric Monte Carlo simulations, this study investigated the structures formed by particles in thin systems, where the interaction between particles is described by a hard-core square shoulder potential. By adjusting the width of the repulsive interaction and the system width, novel structures such as rhombus connections and square lattices of the (100) face of the body-centered cubic lattice were observed.
When particles areconstructed in thin systems between two parallelflat walls, structures that are not observed in bulk systems are createdand the created structures change, depending on the width betweenthe walls. In this study, the structures formed by particles constructedin thin systems were investigated through performing isothermal-isobaricMonte Carlo simulations, where the interaction between the particlesis given by the hard-core square shoulder potential. By controllingthe width of the shoulder-like repulsive interaction and the systemwidth, several novel structures such as the connection of rhombusesand the square lattice of the (100) face of the body-centered cubiclattice were created.

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