Nonequilibrium processes in repulsive binary mixtures

Autor(es)

Santos-Florez, Pedro Antonio ^[1] ; de Koning, Maurice ^{[1, 2, 3]}

Afiliação do(s) autor(es)

^[1] Univ Estadual Campinas, Inst Fis Gleb Wataghin, UNICAMP, BR-13083859 Campinas, SP - Brazil

^[2] Univ Estadual Campinas, Ctr Comp Engn & Sci, UNICAMP, BR-13083861 Campinas, SP - Brazil

^[3] de Koning, Maurice, Univ Estadual Campinas, Ctr Comp Engn \& Sci, UNICAMP, BR-13083861 Campinas, SP, Brazil.Santos-Florez, Pedro Antonio, Univ Estadual Campinas, Inst Fis Gleb Wataghin, UNICAMP, BR-13083859 Campinas, SP - Brazil

• Tipo de documento: Artigo Científico
• Fonte: Journal of Chemical Physics; v. 152, n. 23 JUN 21 2020.
• Citações Web of Science: 0

Resumo

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. (AU)

• Processo FAPESP: 16/23891-6 - Modelagem computacional da matéria condensada
• Beneficiário: Alex Antonelli
• Modalidade de apoio: Auxílio à Pesquisa - Temático
• Processo FAPESP: 13/08293-7 - CECC - Centro de Engenharia e Ciências Computacionais
• Beneficiário: Munir Salomao Skaf
• Modalidade de apoio: Auxílio à Pesquisa - Centros de Pesquisa, Inovação e Difusão - CEPIDs