Agradecimentos: We gratefully acknowledge support from the Brazilian agencies CNPq, Capes, Fapesp (Grant No. 2016/23891-6) and the Center for Computing in Engineering and Sciences—Fapesp/Cepid (Grant No. 2013/08293-7). Part of the calculations were performed at CCJDR-IFGW-UNICAMP. The authors acknowledge the National Laboratory for Scientific Computing (LNCC/MCTI, Brazil) for providing HPC resources of the SDumont supercomputer, which have contributed to the research results reported in this paper. URL: http://sdumont.lncc.br. We thank Alexander Stukowksi and Peter Larsen for their assistance with Ovito’s grain segmentation algorithm Ver menos

Abstract: We consider rapid cooling processes in classical, three-dimensional, purely repulsive binary mixtures in which an initial infinite-temperature (ideal-gas) configuration is instantly quenched to zero temperature. It is found that such systems display two kinds of ordering processes, the type of which can be controlled by tuning the interactions between unlike particles. While strong inter-species repulsion leads to chemical ordering in terms of an unmixing process, weak repulsion gives rise to spontaneous crystallization, maintaining chemical homogeneity. This result indicates the existence of a transition in the topography of the underlying potential-energy landscape as the intra-species interaction strength is varied. Furthermore, the dual-type behavior appears to be universal for repulsive pair-interaction potential-energy functions in general, with the propensity for the crystallization process being related to their behavior in the neighborhood of zero separation Ver menos