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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

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

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Alvarez-Donado, Rene [1] ; Cajahuaringa, Samuel [1] ; Antonelli, Alex [1, 2]
Total Authors: 3
[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
Total Affiliations: 2
Document type: Journal article
Source: PHYSICAL REVIEW MATERIALS; v. 3, n. 8 AUG 1 2019.
Web of Science Citations: 0

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)

FAPESP's process: 10/16970-0 - Computational modeling of condensed matter: a multiscale approach
Grantee:Alex Antonelli
Support Opportunities: Research Projects - Thematic Grants
FAPESP's process: 16/23891-6 - Computer modeling of condensed matter
Grantee:Alex Antonelli
Support Opportunities: Research Projects - Thematic Grants
FAPESP's process: 13/08293-7 - CCES - Center for Computational Engineering and Sciences
Grantee:Munir Salomao Skaf
Support Opportunities: Research Grants - Research, Innovation and Dissemination Centers - RIDC