Correlation between plasticity and other materials properties of Cu-Zr bulk metallic glasses: An atomistic simulation study

Kyung Han Kang, Kyoung Won Park, Jae-chul Lee, Eric Fleury, Byeong Joo Lee

Research output: Contribution to journalArticle

27 Citations (Scopus)

Abstract

The correlation between experimentally observed plasticity and various materials properties that have been mentioned as being related to the mechanical properties of bulk metallic glasses (BMGs) has been investigated for Cu-Zr binary BMG alloys using a molecular dynamics simulation. Most of the properties examined show a roughly comparable correlation with plasticity, but the accuracy is not sufficient to be used for alloy design. The pentagon fraction obtained from a Voronoi polygon analysis and atomic displacement during plastic deformation directly computed using the atomistic approach can be selected as quantities that have an acceptable correlation with plasticity, even though the clearness and the statistical stability are unsatisfactory. The fractional volume change of mixing is proposed as a new materials property that shows a clear and statistically stable correlation with plasticity, and its physical origin as a tool to estimate the plasticity of and to design BMG alloys with improved plasticity is discussed.

Original languageEnglish
Pages (from-to)805-811
Number of pages7
JournalActa Materialia
Volume59
Issue number2
DOIs
Publication statusPublished - 2011 Jan 1

Fingerprint

Metallic glass
Plasticity
Materials properties
Molecular dynamics
Plastic deformation
Mechanical properties
Computer simulation

Keywords

  • Atomistic simulation
  • Bulk metallic glasses
  • Cu-Zr
  • Plasticity

ASJC Scopus subject areas

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

Cite this

Correlation between plasticity and other materials properties of Cu-Zr bulk metallic glasses : An atomistic simulation study. / Kang, Kyung Han; Park, Kyoung Won; Lee, Jae-chul; Fleury, Eric; Lee, Byeong Joo.

In: Acta Materialia, Vol. 59, No. 2, 01.01.2011, p. 805-811.

Research output: Contribution to journalArticle

Kang, Kyung Han ; Park, Kyoung Won ; Lee, Jae-chul ; Fleury, Eric ; Lee, Byeong Joo. / Correlation between plasticity and other materials properties of Cu-Zr bulk metallic glasses : An atomistic simulation study. In: Acta Materialia. 2011 ; Vol. 59, No. 2. pp. 805-811.
@article{fb5386b2b24344c0afd9496febc353a2,
title = "Correlation between plasticity and other materials properties of Cu-Zr bulk metallic glasses: An atomistic simulation study",
abstract = "The correlation between experimentally observed plasticity and various materials properties that have been mentioned as being related to the mechanical properties of bulk metallic glasses (BMGs) has been investigated for Cu-Zr binary BMG alloys using a molecular dynamics simulation. Most of the properties examined show a roughly comparable correlation with plasticity, but the accuracy is not sufficient to be used for alloy design. The pentagon fraction obtained from a Voronoi polygon analysis and atomic displacement during plastic deformation directly computed using the atomistic approach can be selected as quantities that have an acceptable correlation with plasticity, even though the clearness and the statistical stability are unsatisfactory. The fractional volume change of mixing is proposed as a new materials property that shows a clear and statistically stable correlation with plasticity, and its physical origin as a tool to estimate the plasticity of and to design BMG alloys with improved plasticity is discussed.",
keywords = "Atomistic simulation, Bulk metallic glasses, Cu-Zr, Plasticity",
author = "Kang, {Kyung Han} and Park, {Kyoung Won} and Jae-chul Lee and Eric Fleury and Lee, {Byeong Joo}",
year = "2011",
month = "1",
day = "1",
doi = "10.1016/j.actamat.2010.10.027",
language = "English",
volume = "59",
pages = "805--811",
journal = "Acta Materialia",
issn = "1359-6454",
publisher = "Elsevier Limited",
number = "2",

}

TY - JOUR

T1 - Correlation between plasticity and other materials properties of Cu-Zr bulk metallic glasses

T2 - An atomistic simulation study

AU - Kang, Kyung Han

AU - Park, Kyoung Won

AU - Lee, Jae-chul

AU - Fleury, Eric

AU - Lee, Byeong Joo

PY - 2011/1/1

Y1 - 2011/1/1

N2 - The correlation between experimentally observed plasticity and various materials properties that have been mentioned as being related to the mechanical properties of bulk metallic glasses (BMGs) has been investigated for Cu-Zr binary BMG alloys using a molecular dynamics simulation. Most of the properties examined show a roughly comparable correlation with plasticity, but the accuracy is not sufficient to be used for alloy design. The pentagon fraction obtained from a Voronoi polygon analysis and atomic displacement during plastic deformation directly computed using the atomistic approach can be selected as quantities that have an acceptable correlation with plasticity, even though the clearness and the statistical stability are unsatisfactory. The fractional volume change of mixing is proposed as a new materials property that shows a clear and statistically stable correlation with plasticity, and its physical origin as a tool to estimate the plasticity of and to design BMG alloys with improved plasticity is discussed.

AB - The correlation between experimentally observed plasticity and various materials properties that have been mentioned as being related to the mechanical properties of bulk metallic glasses (BMGs) has been investigated for Cu-Zr binary BMG alloys using a molecular dynamics simulation. Most of the properties examined show a roughly comparable correlation with plasticity, but the accuracy is not sufficient to be used for alloy design. The pentagon fraction obtained from a Voronoi polygon analysis and atomic displacement during plastic deformation directly computed using the atomistic approach can be selected as quantities that have an acceptable correlation with plasticity, even though the clearness and the statistical stability are unsatisfactory. The fractional volume change of mixing is proposed as a new materials property that shows a clear and statistically stable correlation with plasticity, and its physical origin as a tool to estimate the plasticity of and to design BMG alloys with improved plasticity is discussed.

KW - Atomistic simulation

KW - Bulk metallic glasses

KW - Cu-Zr

KW - Plasticity

UR - http://www.scopus.com/inward/record.url?scp=78449245040&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=78449245040&partnerID=8YFLogxK

U2 - 10.1016/j.actamat.2010.10.027

DO - 10.1016/j.actamat.2010.10.027

M3 - Article

AN - SCOPUS:78449245040

VL - 59

SP - 805

EP - 811

JO - Acta Materialia

JF - Acta Materialia

SN - 1359-6454

IS - 2

ER -