Short-to-Medium-Range Order and Atomic Packing in Zr48Cu36Ag8Al8 Bulk Metallic Glass

Xu, Yong; Yu, Meijie; Xu, Rongfu; Wang, Xianzhong; Wang, Zhigang; Liang, Yongfeng; Lin, Junpin

doi:10.3390/met6100240

Title: Short-to-Medium-Range Order and Atomic Packing in Zr₄₈Cu₃₆Ag₈Al₈ Bulk Metallic Glass

Abstract

Due to its excellent glass-forming ability (GFA), the Zr₄₈Cu₃₆Ag₈Al₈ bulk metallic glass (BMG) is of great importance in glass transition investigations and new materials development. However, due to the lack of detailed structural information, the local structure and atomic packing of this alloy is still unknown. In this work, synchrotron measurement and reverse Monte Carlo simulation are performed on the atomic configuration of a Zr-based bulk metallic glass. The local structure is characterized in terms of bond pairs and Voronoi tessellation. It is found that there are mainly two types of bond pairs in the configuration, as the body-centered cubic (bcc)-type and icosahedral (ico)-type bond pairs. On the other hand, the main polyhedra in the configuration are icosahedra and the bcc structure. That is, the bcc-type bond pairs, together with the ico-type bond pairs, form the bcc polyhedra, introducing the distortion in bcc clusters in short range. However, in the medium range, the atoms formed linear or planar structures, other than the tridimensional clusters. That is, the medium-range order in glass is of 1D or 2D structure, suggesting the imperfect ordered packing feature.

Authors:

Xu, Yong ^[1]; Yu, Meijie ^[2]; Xu, Rongfu ^[1]; Wang, Xianzhong ^[1]; Wang, Zhigang ^[1]; Liang, Yongfeng ^[3]; Lin, Junpin ^[3]

Shandong Jianzhu Univ., Jinan (China)
Shandong Univ., Jinan (China)
Univ. of Science and Technology Beijing (China)

Publication Date:: Wed Oct 12 00:00:00 EDT 2016

Research Org.:: Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Org.:: National Natural Science Foundation of China (NSFC)

OSTI Identifier:: 1329430

Grant/Contract Number:: 51101093

Resource Type:: Accepted Manuscript

Journal Name:: Metals

Additional Journal Information:: Journal Volume: 6; Journal Issue: 10; Journal ID: ISSN 2075-4701

Publisher:: MDPI

Country of Publication:: United States

Language:: ENGLISH

Subject:: 36 MATERIALS SCIENCE; metallic glass; local structure; short range order; medium range order

Citation Formats


                    Xu, Yong, Yu, Meijie, Xu, Rongfu, Wang, Xianzhong, Wang, Zhigang, Liang, Yongfeng, and Lin, Junpin. Short-to-Medium-Range Order and Atomic Packing in Zr48Cu36Ag8Al8 Bulk Metallic Glass.  United States: N. p., 2016. 
Web.  doi:10.3390/met6100240.

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                    Xu, Yong, Yu, Meijie, Xu, Rongfu, Wang, Xianzhong, Wang, Zhigang, Liang, Yongfeng, & Lin, Junpin. Short-to-Medium-Range Order and Atomic Packing in Zr48Cu36Ag8Al8 Bulk Metallic Glass.  United States.  https://doi.org/10.3390/met6100240

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                    Xu, Yong, Yu, Meijie, Xu, Rongfu, Wang, Xianzhong, Wang, Zhigang, Liang, Yongfeng, and Lin, Junpin. Wed .  
"Short-to-Medium-Range Order and Atomic Packing in Zr48Cu36Ag8Al8 Bulk Metallic Glass".  United States.  https://doi.org/10.3390/met6100240.  https://www.osti.gov/servlets/purl/1329430.

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@article{osti_1329430,

  title        = {Short-to-Medium-Range Order and Atomic Packing in Zr48Cu36Ag8Al8 Bulk Metallic Glass},

  author       = {Xu, Yong and Yu, Meijie and Xu, Rongfu and Wang, Xianzhong and Wang, Zhigang and Liang, Yongfeng and Lin, Junpin},

  abstractNote = {Due to its excellent glass-forming ability (GFA), the Zr48Cu36Ag8Al8 bulk metallic glass (BMG) is of great importance in glass transition investigations and new materials development. However, due to the lack of detailed structural information, the local structure and atomic packing of this alloy is still unknown. In this work, synchrotron measurement and reverse Monte Carlo simulation are performed on the atomic configuration of a Zr-based bulk metallic glass. The local structure is characterized in terms of bond pairs and Voronoi tessellation. It is found that there are mainly two types of bond pairs in the configuration, as the body-centered cubic (bcc)-type and icosahedral (ico)-type bond pairs. On the other hand, the main polyhedra in the configuration are icosahedra and the bcc structure. That is, the bcc-type bond pairs, together with the ico-type bond pairs, form the bcc polyhedra, introducing the distortion in bcc clusters in short range. However, in the medium range, the atoms formed linear or planar structures, other than the tridimensional clusters. That is, the medium-range order in glass is of 1D or 2D structure, suggesting the imperfect ordered packing feature.},

  doi          = {10.3390/met6100240},

  journal      = {Metals},

  number       = 10,

  volume       = 6,

  place        = {United States},

  year         = {Wed Oct 12 00:00:00 EDT 2016},

  month        = {Wed Oct 12 00:00:00 EDT 2016}

}

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Works referencing / citing this record:

Structural properties of medium-range order in CuNiZr alloy
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Gao, Tinghong; Hu, Xuechen; Xie, Quan
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Title: Short-to-Medium-Range Order and Atomic Packing in Zr48Cu36Ag8Al8 Bulk Metallic Glass

Abstract

Citation Formats

New Cu–Zr-based bulk metallic glasses with large diameters of up to 1.5cm journal, October 2006

Icosahedral order in liquids journal, October 2007

Icosahedral Short-Range Order in Deeply Undercooled Metallic Melts journal, July 2002

Zr–(Cu,Ag)–Al bulk metallic glasses journal, May 2008

Reverse Monte Carlo modelling journal, November 2001

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Icosahedral Bond Orientational Order in Supercooled Liquids journal, November 1981

Short-to-medium-range order in Mg65Cu25Y10 metallic glass journal, April 2008

Molecular dynamics study of melting and freezing of small Lennard-Jones clusters journal, September 1987

Icosahedral Ordering in the Lennard-Jones Liquid and Glass journal, May 1988

Bond-orientational order in liquids and glasses journal, July 1983

Effects of additional elements (M) on the thermal stability and structure of (Zr52.2Cu39.1Al8.7)100−xMx (M = Ag, Be, Gd, x = 8, 7, 2) amorphous alloys journal, July 2009

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Phase separation in Cu43Zr43Al7Ag7 bulk metallic glass journal, July 2005

Modelling the structures of amorphous metals and alloys journal, March 1977

Molecular dynamic simulations and atomic structures of amorphous materials journal, May 2006

Bulk amorphous metal—An emerging engineering material journal, March 2002

Atomic packing and short-to-medium-range order in metallic glasses journal, January 2006

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Critical-like behaviour of glass-forming liquids journal, February 2010

Atomic structure of Zr41.2Ti13.8Cu12.5Ni10Be22.5 bulk metallic glass alloy journal, January 2009

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Additional potential constraint in a reverse Monte Carlo (RMC) simulation journal, September 2003

Atomistic mechanism for nanocrystallization of metallic glasses journal, July 2008

Theory of Two-Dimensional Melting journal, July 1978

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Under what conditions can a glass be formed? journal, September 1969

Local atomic arrangements in polytetrahedral materials journal, August 1999

Local atomic arrangements in polytetrahedral materials II. Coordination polyhedra with 14 and 15 atoms journal, October 2001

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Title: Short-to-Medium-Range Order and Atomic Packing in Zr₄₈Cu₃₆Ag₈Al₈ Bulk Metallic Glass

New Cu–Zr-based bulk metallic glasses with large diameters of up to 1.5cm
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Icosahedral order in liquids
journal, October 2007

Icosahedral Short-Range Order in Deeply Undercooled Metallic Melts
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Zr–(Cu,Ag)–Al bulk metallic glasses
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Reverse Monte Carlo modelling
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Effect of local structures and atomic packing on glass forming ability in CuxZr100−x metallic glasses
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Icosahedral Bond Orientational Order in Supercooled Liquids
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Short-to-medium-range order in Mg65Cu25Y10 metallic glass
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Molecular dynamics study of melting and freezing of small Lennard-Jones clusters
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Icosahedral Ordering in the Lennard-Jones Liquid and Glass
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Bond-orientational order in liquids and glasses
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Effects of additional elements (M) on the thermal stability and structure of (Zr52.2Cu39.1Al8.7)100−xMx (M = Ag, Be, Gd, x = 8, 7, 2) amorphous alloys
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Ordered clusters and free volume in a Zr–Ni metallic glass
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The effect of the range of the potential on the structure and stability of simple liquids: from clusters to bulk, from sodium to
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Critical-like behaviour of glass-forming liquids
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Order, frustration, and defects in liquids and glasses
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Random Packings and the Structure of Simple Liquids. I. The Geometry of Random Close Packing
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Atomic Level Structure in Multicomponent Bulk Metallic Glass
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Processing of bulk metallic glasses with high strength and large compressive plasticity in Cu50Zr50
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Local Order of Liquid and Supercooled Zirconium by Ab Initio Molecular Dynamics
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Local order and dynamic properties of liquid and undercooled ${Cu}_{x} {Zr}_{1 - x}$ alloys by ab initio molecular dynamics
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Structural modelling of glasses using reverse Monte Carlo simulation
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EXAFS measurements and reverse Monte Carlo modeling of atomic structure in amorphous Ni80P20 alloys
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Additional potential constraint in a reverse Monte Carlo (RMC) simulation
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Atomistic mechanism for nanocrystallization of metallic glasses
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Theory of Two-Dimensional Melting
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Formation of Bulk Metallic Glasses and Their Composites
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Atomic structure of binary Cu[sub 64.5]Zr[sub 35.5] bulk metallic glass
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Under what conditions can a glass be formed?
journal, September 1969

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Local atomic arrangements in polytetrahedral materials II. Coordination polyhedra with 14 and 15 atoms
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Random packings and the structure of simple liquids II. The molecular geometry of simple liquids
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