Computer simulations of nanoindentation in Mg-Cu and Cu-Zr metallic glasses

Anca Păduraru, Nicholas Bailey, A Thyssen, Karsten Wedel Jacobsen, Jakob Schiøtz

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

Resumé

The formation of shear bands during plastic deformation of Cu0.50Zr0.50 and Mg0.85Cu0.15 metallic glasses is studied using atomic-scale computer simulations. The atomic interactions are described using realistic many-body potentials within the effective medium theory, and are compared with similar simulations using a Lennard-Jones description of the material. The metallic glasses are deformed both in simple shear and in a simulated nanoindentation experiment. Plastic shear localizes into shear bands with a width of approximately 5 nm in CuZr and 8 nm in MgCu. In simple shear, the shear band formation is very clear, whereas only incipient shear bands are seen in nanoindentation. The shear band formation during nanoindentation is sensitive to the indentation velocity, indenter radius and the cooling rate during the formation of the metallic glass. For comparison, a similar nanoindentation simulation was made with a nanocrystalline sample, showing how the presence of a polycrystalline structure leads to a different and more spatially distributed deformation pattern, where dislocation avalanches play an important role.

OriginalsprogEngelsk
TidsskriftModelling and Simulation in Materials Science and Engineering
Vol/bind18
Udgave nummer5
ISSN0965-0393
DOI
StatusUdgivet - 2010

Citer dette

Păduraru, Anca ; Bailey, Nicholas ; Thyssen, A ; Jacobsen, Karsten Wedel ; Schiøtz, Jakob. / Computer simulations of nanoindentation in Mg-Cu and Cu-Zr metallic glasses. I: Modelling and Simulation in Materials Science and Engineering. 2010 ; Bind 18, Nr. 5.
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abstract = "The formation of shear bands during plastic deformation of Cu0.50Zr0.50 and Mg0.85Cu0.15 metallic glasses is studied using atomic-scale computer simulations. The atomic interactions are described using realistic many-body potentials within the effective medium theory, and are compared with similar simulations using a Lennard-Jones description of the material. The metallic glasses are deformed both in simple shear and in a simulated nanoindentation experiment. Plastic shear localizes into shear bands with a width of approximately 5 nm in CuZr and 8 nm in MgCu. In simple shear, the shear band formation is very clear, whereas only incipient shear bands are seen in nanoindentation. The shear band formation during nanoindentation is sensitive to the indentation velocity, indenter radius and the cooling rate during the formation of the metallic glass. For comparison, a similar nanoindentation simulation was made with a nanocrystalline sample, showing how the presence of a polycrystalline structure leads to a different and more spatially distributed deformation pattern, where dislocation avalanches play an important role.",
author = "Anca Păduraru and Nicholas Bailey and A Thyssen and Jacobsen, {Karsten Wedel} and Jakob Schi{\o}tz",
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Computer simulations of nanoindentation in Mg-Cu and Cu-Zr metallic glasses. / Păduraru, Anca; Bailey, Nicholas; Thyssen, A; Jacobsen, Karsten Wedel; Schiøtz, Jakob.

I: Modelling and Simulation in Materials Science and Engineering, Bind 18, Nr. 5, 2010.

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

TY - JOUR

T1 - Computer simulations of nanoindentation in Mg-Cu and Cu-Zr metallic glasses

AU - Păduraru, Anca

AU - Bailey, Nicholas

AU - Thyssen, A

AU - Jacobsen, Karsten Wedel

AU - Schiøtz, Jakob

PY - 2010

Y1 - 2010

N2 - The formation of shear bands during plastic deformation of Cu0.50Zr0.50 and Mg0.85Cu0.15 metallic glasses is studied using atomic-scale computer simulations. The atomic interactions are described using realistic many-body potentials within the effective medium theory, and are compared with similar simulations using a Lennard-Jones description of the material. The metallic glasses are deformed both in simple shear and in a simulated nanoindentation experiment. Plastic shear localizes into shear bands with a width of approximately 5 nm in CuZr and 8 nm in MgCu. In simple shear, the shear band formation is very clear, whereas only incipient shear bands are seen in nanoindentation. The shear band formation during nanoindentation is sensitive to the indentation velocity, indenter radius and the cooling rate during the formation of the metallic glass. For comparison, a similar nanoindentation simulation was made with a nanocrystalline sample, showing how the presence of a polycrystalline structure leads to a different and more spatially distributed deformation pattern, where dislocation avalanches play an important role.

AB - The formation of shear bands during plastic deformation of Cu0.50Zr0.50 and Mg0.85Cu0.15 metallic glasses is studied using atomic-scale computer simulations. The atomic interactions are described using realistic many-body potentials within the effective medium theory, and are compared with similar simulations using a Lennard-Jones description of the material. The metallic glasses are deformed both in simple shear and in a simulated nanoindentation experiment. Plastic shear localizes into shear bands with a width of approximately 5 nm in CuZr and 8 nm in MgCu. In simple shear, the shear band formation is very clear, whereas only incipient shear bands are seen in nanoindentation. The shear band formation during nanoindentation is sensitive to the indentation velocity, indenter radius and the cooling rate during the formation of the metallic glass. For comparison, a similar nanoindentation simulation was made with a nanocrystalline sample, showing how the presence of a polycrystalline structure leads to a different and more spatially distributed deformation pattern, where dislocation avalanches play an important role.

U2 - 10.1088/0965-0393/18/5/055006

DO - 10.1088/0965-0393/18/5/055006

M3 - Journal article

VL - 18

JO - Modelling and Simulation in Materials Science and Engineering

JF - Modelling and Simulation in Materials Science and Engineering

SN - 0965-0393

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ER -