DOI: 10.1063/1.1885000. Shear softening and structure in a simulated three-dimensional binary glass

Shear softening and structure in a simulated three-dimensional binary glass

10.1063/1.1885000

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Three-dimensional model binary glasses produced by quenching from a range of liquid temperatures were tested in shear over a range of strain rates using molecular-dynamics techniques. Tests were performed under constant volume and constant pressure constraints. The simulations revealed a systematic change in short-range order as a function of the thermal and strain history of the glass. While subtle signs of differences in short-range order were evident in the pair distribution function, three-body correlations were observed to be markedly more sensitive to the changes in structure. One particular structural parameter, the number of aligned three-atom clusters, was analyzed as a function of the degree of supercooling, the strain and the strain rate. The glasses quenched from the supercooled liquid regime were observed to contain an initally higher number of such clusters, and this number decreased under shear. Those quenched from high-temperature equilibrium liquids contained lower numbers of such clusters and these increased or remained constant under shear. The glasses quenched from the supercooled liquid regime showed higher strength, more marked shear softening, and an increased propensity toward shear localization. The evolution of this structural parameter depended both on its initial value and on the imposed shear rate. These results were observed to hold for simulations performed under both constant density and constant pressure boundary conditions.

Bibliography

Albano, F., & Falk, M. L. (2005). Shear softening and structure in a simulated three-dimensional binary glass. The Journal of Chemical Physics, 122(15).

Authors 2

Fabio Albano (first)
Michael L. Falk (additional)

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Dates

Type	When
Created	20 years, 4 months ago (April 15, 2005, 6:03 p.m.)
Deposited	2 years, 1 month ago (Aug. 1, 2023, 1:57 a.m.)
Indexed	1 month, 1 week ago (July 30, 2025, 6:45 a.m.)
Issued	20 years, 4 months ago (April 15, 2005)
Published	20 years, 4 months ago (April 15, 2005)
Published Online	20 years, 4 months ago (April 19, 2005)
Published Print	20 years, 4 months ago (April 15, 2005)

Funders 0

None

BibTeX

@article{Albano_2005, title={Shear softening and structure in a simulated three-dimensional binary glass}, volume={122}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1885000}, DOI={10.1063/1.1885000}, number={15}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Albano, Fabio and Falk, Michael L.}, year={2005}, month=apr }

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