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Strain dependence of peak widths of reciprocal- and real-space distribution functions of metallic glasses from in situ x-ray scattering and molecular dynamics simulations

TitleStrain dependence of peak widths of reciprocal- and real-space distribution functions of metallic glasses from in situ x-ray scattering and molecular dynamics simulations
Publication TypeJournal Article
Year of Publication2009
AuthorsOtt RT, Mendelev MI, Besser MF, Kramer MJ, Almer J, Sordelet DJ
Journal TitlePhysical Review B
Volume80
Pages064101
Date Published08/01
ISBN Number1098-0121
Accession NumberISI:000269638800016
Keywordsamorphous solids, copper alloys, deformation, elastic deformation, metallic glasses, model, molecular dynamics method, structural defects, x-ray scattering, zirconium alloys
Abstract

We have examined the relationship between the variance in the atomic-level hydrostatic pressure, <>(1/2), and the widths of the first peaks in the reciprocal- and real-space distribution functions for elastically deformed metallic glasses. In situ synchrotron x-ray scattering studies performed on a binary Cu64.5Zr35.5 glass subject to uniaxial loading reveal that the width of the first peak in the reduced-pair distribution function is dependent on the different elastic responses of the partial-pair correlations. Molecular dynamics (MD) simulations of the same binary glass, as well as a single-component glass, subject to hydrostatic deformation show that the widths of the first peaks in the partial-pair distribution functions are affected by length-scale-dependent changes in the relative atomic separation in the first nearest-neighbor shell. Moreover, the MD simulations show that the strain dependencies of the partial-pair peak widths do not necessarily match the strain-dependence of <>(1/2). The results suggest that the widths of the peaks in the reciprocal- and real-space functions are not solely dependent on <>(1/2) but rather are also affected by the atomic rearrangements associated with elastic deformation.
URL<Go to ISI>://000269638800016
DOI10.1103/Physrevb.80.064101