https://doi.org/10.1140/epjb/s10051-023-00554-7
Regular Article - Solid State and Materials
Solidification of 2D simple monatomic system: molecular dynamics simulations
1
Laboratory of Computational Physics, Faculty of Applied Science, Ho Chi Minh City University of Technology (HCMUT), 268 Ly Thuong Kiet Street, District 10, Ho Chi Minh City, Vietnam
2
Vietnam National University Ho Chi Minh City, Linh Trung Ward, Thu Duc District, Ho Chi Minh City, Vietnam
3
PetroVietnam University, 762 Cach Mang Thang Tam, Long Toan Ward, Ba Ria City, Ba Ria - Vung Tau Province, Vietnam
Received:
10
January
2023
Accepted:
2
June
2023
Published online:
16
June
2023
Solidification of the melted two-dimensional square lattice structure forming system is studied using molecular dynamics simulations. The initial model of 6400 atoms interacting via the square potential proposed by Rechstmann et al. (Phys. Rev. E, 73:011406, 2006) is cooled down from the melt at two different cooling rates. The research reveals the differences in the evolution of structure and thermodynamics of the system upon cooling from the melt. At the cooling rate of 
per MD step, the phase transition temperature is found to be 
, while it is 
at the cooling rate of 
per MD step. Atomic mechanism of solidification of the system is analyzed via studying of the occurrence and growth of solid-like atoms upon cooling from the melt. Three characteristic temperatures of solidification are proposed. There is an evidence of the first-order phase transition behavior of the crystallization of the 2D melt.
Copyright comment Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
© The Author(s), under exclusive licence to EDP Sciences, SIF and Springer-Verlag GmbH Germany, part of Springer Nature 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
