Revisiting the fragile-to-strong crossover in metallic glass-forming liquids: Application to CuxZrxAl100-2x alloy

Autor(es)

Alvarez-Donado, Rene ^[1] ; Cajahuaringa, Samuel ^[1] ; Antonelli, Alex ^{[1, 2]}

Afiliação do(s) autor(es)

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

^[2] Univ Estadual Campinas, UNICAMP, Ctr Comp Engn & Sci, BR-13083859 Campinas, SP - Brazil

• Tipo de documento: Artigo Científico
• Fonte: PHYSICAL REVIEW MATERIALS; v. 3, n. 8 AUG 1 2019.
• Citações Web of Science: 0

Resumo

The fragile-to-strong crossover seems to be a general feature of metallic glass-forming liquids. Here, we study the behavior of shear viscosity, diffusion coefficient, and vibrational density of states for CuxZrxAl100-2x, alloy through molecular dynamics simulations. The results reveal that the fragile-to-strong temperature (T-fs) and the glass transition temperature (T-g) increase as the aluminum content becomes larger. The inverse of the diffusion coefficient as a function of temperature exhibits a dynamical crossover in the vicinity of T-g, at a much lower temperature than that predicted by nearly all previous studies. At the temperature in which the dynamical crossover occurs determined by the inverse of the diffusion coefficient, we found an excess of vibrational states at low frequencies, resembling a pronounced peak in the reduced vibrational density of states characteristic of a strong liquid. Finally, the behavior of the shear viscosity as a function of reduced temperature (T-g/T) also shows that, aside from the fragile-to-strong crossover nearby T-g, another dynamical crossover is present near the onset of the supercooled regime. (AU)

• Processo FAPESP: 10/16970-0 - Modelagem computacional da matéria condensada: uma abordagem em múltiplas escalas
• Beneficiário: Alex Antonelli
• Modalidade de apoio: Auxílio à Pesquisa - Temático
• 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