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Title: Spatial correlation of elastic heterogeneity tunes the deformation behavior of metallic glasses

Abstract

Metallic glasses (MGs) possess remarkably high strength but often display only minimal tensile ductility due to the formation of catastrophic shear bands. Purposely enhancing the inherent heterogeneity to promote distributed flow offers new possibilities in improving the ductility of monolithic MGs. Here, we report the effect of the spatial heterogeneity of elasticity, resulting from the inherently inhomogeneous amorphous structures, on the deformation behavior of MGs, specifically focusing on the ductility using multiscale modeling methods. A highly heterogeneous, Gaussian-type shear modulus distribution at the nanoscale is revealed by atomistic simulations in Cu 64Zr 36 MGs, in which the soft population of the distribution exhibits a marked propensity to undergo the inelastic shear transformation. By employing a mesoscale shear transformation zone dynamics model, we find that the organization of such nanometer-scale shear transformation events into shear-band patterns is dependent on the spatial heterogeneity of the local shear moduli. A critical spatial correlation length of elastic heterogeneity is identified for the simulated MGs to achieve the best tensile ductility, which is associated with a transition of shear-band formation mechanisms, from stress-dictated nucleation and growth to structure-dictated strain percolation, as well as a saturation of elastically soft sites participating in the plastic flow. Thismore » discovery is important for the fundamental understanding of the role of spatial heterogeneity in influencing the deformation behavior of MGs. We believe that this can facilitate the design and development of new ductile monolithic MGs by a process of tuning the inherent heterogeneity to achieve enhanced ductility in these high-strength metallic alloys.« less

Authors:
 [1]; ORCiD logo [2];  [1];  [3];  [3];  [1]
  1. The Univ. of Alabama, Tuscaloosa, AL (United States)
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  3. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Berkeley, CA (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1506379
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
npj Computational Materials
Additional Journal Information:
Journal Volume: 4; Journal Issue: 1; Journal ID: ISSN 2057-3960
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Wang, Neng, Ding, Jun, Yan, Feng, Asta, Mark, Ritchie, Robert O., and Li, Lin. Spatial correlation of elastic heterogeneity tunes the deformation behavior of metallic glasses. United States: N. p., 2018. Web. doi:10.1038/s41524-018-0077-8.
Wang, Neng, Ding, Jun, Yan, Feng, Asta, Mark, Ritchie, Robert O., & Li, Lin. Spatial correlation of elastic heterogeneity tunes the deformation behavior of metallic glasses. United States. doi:10.1038/s41524-018-0077-8.
Wang, Neng, Ding, Jun, Yan, Feng, Asta, Mark, Ritchie, Robert O., and Li, Lin. Fri . "Spatial correlation of elastic heterogeneity tunes the deformation behavior of metallic glasses". United States. doi:10.1038/s41524-018-0077-8. https://www.osti.gov/servlets/purl/1506379.
@article{osti_1506379,
title = {Spatial correlation of elastic heterogeneity tunes the deformation behavior of metallic glasses},
author = {Wang, Neng and Ding, Jun and Yan, Feng and Asta, Mark and Ritchie, Robert O. and Li, Lin},
abstractNote = {Metallic glasses (MGs) possess remarkably high strength but often display only minimal tensile ductility due to the formation of catastrophic shear bands. Purposely enhancing the inherent heterogeneity to promote distributed flow offers new possibilities in improving the ductility of monolithic MGs. Here, we report the effect of the spatial heterogeneity of elasticity, resulting from the inherently inhomogeneous amorphous structures, on the deformation behavior of MGs, specifically focusing on the ductility using multiscale modeling methods. A highly heterogeneous, Gaussian-type shear modulus distribution at the nanoscale is revealed by atomistic simulations in Cu64Zr36 MGs, in which the soft population of the distribution exhibits a marked propensity to undergo the inelastic shear transformation. By employing a mesoscale shear transformation zone dynamics model, we find that the organization of such nanometer-scale shear transformation events into shear-band patterns is dependent on the spatial heterogeneity of the local shear moduli. A critical spatial correlation length of elastic heterogeneity is identified for the simulated MGs to achieve the best tensile ductility, which is associated with a transition of shear-band formation mechanisms, from stress-dictated nucleation and growth to structure-dictated strain percolation, as well as a saturation of elastically soft sites participating in the plastic flow. This discovery is important for the fundamental understanding of the role of spatial heterogeneity in influencing the deformation behavior of MGs. We believe that this can facilitate the design and development of new ductile monolithic MGs by a process of tuning the inherent heterogeneity to achieve enhanced ductility in these high-strength metallic alloys.},
doi = {10.1038/s41524-018-0077-8},
journal = {npj Computational Materials},
issn = {2057-3960},
number = 1,
volume = 4,
place = {United States},
year = {2018},
month = {4}
}

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