Networked interpenetrating connections of icosahedra: Effects on shear transformations in metallic glass

Mirim Lee; Chang Myeon Lee; Kwang Ryeol Lee; Evan Ma; Jae Chul Lee

doi:10.1016/j.actamat.2010.09.020

Networked interpenetrating connections of icosahedra: Effects on shear transformations in metallic glass

Mirim Lee, Chang Myeon Lee, Kwang Ryeol Lee, Evan Ma, Jae Chul Lee

Research output: Contribution to journal › Article › peer-review

223 Citations (Scopus)

Abstract

The local structures of metallic glasses have been analyzed previously in term of various types of short-range order (SRO). However, the SRO alone, neglecting the interconnection of neighboring icosahedra to medium range and beyond, is insufficient to account for the structure-property relationship in metallic glasses. In this study, we use molecular dynamics (MD) simulations of Cu-Zr binary metallic glasses to examine the effects of the next level of structural hierarchy: the interpenetrating connection of icosahedra (ICOI) and the linkage of the medium-range ICOI patches to form networks of icosahedra over extended range. The mechanical properties of these metallic glasses, especially the shear transformations that mediate plasticity, are found to be dependent on the degree of ICOI and development of the ICOI network. The evolution of the ICOI network during shear deformation, as well as the composition dependence, has been monitored and discussed.

Original language	English
Pages (from-to)	159-170
Number of pages	12
Journal	Acta Materialia
Volume	59
Issue number	1
DOIs	https://doi.org/10.1016/j.actamat.2010.09.020
Publication status	Published - 2011 Jan

Bibliographical note

Funding Information:
JC acknowledges the support of the National Research Foundation of Korea under Award of 2009-0081023. EM is supported at JHU by US-NSF-DMR-0904188. A major part of the present computation was carried out using the Grand Cluster Supercomputer at KIST.

Keywords

Amorphous alloy
Metallic glass
Molecular dynamics
Plasticity
Short-(medium-)range order

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Ceramics and Composites
Polymers and Plastics
Metals and Alloys

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10.1016/j.actamat.2010.09.020

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title = "Networked interpenetrating connections of icosahedra: Effects on shear transformations in metallic glass",

abstract = "The local structures of metallic glasses have been analyzed previously in term of various types of short-range order (SRO). However, the SRO alone, neglecting the interconnection of neighboring icosahedra to medium range and beyond, is insufficient to account for the structure-property relationship in metallic glasses. In this study, we use molecular dynamics (MD) simulations of Cu-Zr binary metallic glasses to examine the effects of the next level of structural hierarchy: the interpenetrating connection of icosahedra (ICOI) and the linkage of the medium-range ICOI patches to form networks of icosahedra over extended range. The mechanical properties of these metallic glasses, especially the shear transformations that mediate plasticity, are found to be dependent on the degree of ICOI and development of the ICOI network. The evolution of the ICOI network during shear deformation, as well as the composition dependence, has been monitored and discussed.",

keywords = "Amorphous alloy, Metallic glass, Molecular dynamics, Plasticity, Short-(medium-)range order",

author = "Mirim Lee and Lee, {Chang Myeon} and Lee, {Kwang Ryeol} and Evan Ma and Lee, {Jae Chul}",

note = "Funding Information: JC acknowledges the support of the National Research Foundation of Korea under Award of 2009-0081023. EM is supported at JHU by US-NSF-DMR-0904188. A major part of the present computation was carried out using the Grand Cluster Supercomputer at KIST.",

year = "2011",

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doi = "10.1016/j.actamat.2010.09.020",

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AU - Lee, Mirim

AU - Lee, Chang Myeon

AU - Lee, Kwang Ryeol

AU - Ma, Evan

AU - Lee, Jae Chul

N1 - Funding Information: JC acknowledges the support of the National Research Foundation of Korea under Award of 2009-0081023. EM is supported at JHU by US-NSF-DMR-0904188. A major part of the present computation was carried out using the Grand Cluster Supercomputer at KIST.

PY - 2011/1

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N2 - The local structures of metallic glasses have been analyzed previously in term of various types of short-range order (SRO). However, the SRO alone, neglecting the interconnection of neighboring icosahedra to medium range and beyond, is insufficient to account for the structure-property relationship in metallic glasses. In this study, we use molecular dynamics (MD) simulations of Cu-Zr binary metallic glasses to examine the effects of the next level of structural hierarchy: the interpenetrating connection of icosahedra (ICOI) and the linkage of the medium-range ICOI patches to form networks of icosahedra over extended range. The mechanical properties of these metallic glasses, especially the shear transformations that mediate plasticity, are found to be dependent on the degree of ICOI and development of the ICOI network. The evolution of the ICOI network during shear deformation, as well as the composition dependence, has been monitored and discussed.

AB - The local structures of metallic glasses have been analyzed previously in term of various types of short-range order (SRO). However, the SRO alone, neglecting the interconnection of neighboring icosahedra to medium range and beyond, is insufficient to account for the structure-property relationship in metallic glasses. In this study, we use molecular dynamics (MD) simulations of Cu-Zr binary metallic glasses to examine the effects of the next level of structural hierarchy: the interpenetrating connection of icosahedra (ICOI) and the linkage of the medium-range ICOI patches to form networks of icosahedra over extended range. The mechanical properties of these metallic glasses, especially the shear transformations that mediate plasticity, are found to be dependent on the degree of ICOI and development of the ICOI network. The evolution of the ICOI network during shear deformation, as well as the composition dependence, has been monitored and discussed.

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Networked interpenetrating connections of icosahedra: Effects on shear transformations in metallic glass

Abstract

Bibliographical note

Keywords

ASJC Scopus subject areas

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