Molecular dynamics study of short range order and viscosity to understand the glass forming ability in FeXZr100-X metallic glasses

An n-body potential is first constructed for the Zr–Al system and proven to be realistic by reproducing a number of important properties of the system. Applying the constructed potential, molecular dynamics simulations, chemical short-range order (CSRO) calculation, and Honeycutt and Anderson (HA) pair analysis are carried out to study the Zr–Al metallic glasses. It is found that for the binary Zr–Al system, metallic glasses are energetically favored to be formed within composition range of 35–75 at.% Al. The calculation shows that the CSRO parameter is negative and could be up to −0.17, remarkably indicating that there exists a chemical short-range order in the Zr–Al metallic glasses. The HA pair analysis also reveals that there are diverse short-range packing units in the Zr–Al metallic glasses, in which icosahedra and icosahedra/face-centered cubic (fcc)-defect structures are predominant.

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Effect of short-range order in liquid on the glass forming ability of Fe–Si–B alloy wires

Materials Letters ◽

10.1016/j.matlet.2003.08.024 ◽

2004 ◽

Vol 58 (6) ◽

pp. 1012-1016 ◽

Cited By ~ 8

Author(s):

H.S. Ko ◽

J.Y. Chang

Keyword(s):

Short Range ◽

Short Range Order ◽

Glass Forming Ability ◽

Range Order ◽

Glass Forming

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Concept of chemical short range order domain and the glass forming ability in multicomponent liquid

Intermetallics ◽

10.1016/s0966-9795(02)00129-2 ◽

2002 ◽

Vol 10 (11-12) ◽

pp. 1221-1232 ◽

Cited By ~ 36

Author(s):

Guoliang Chen ◽

Xidong Hui ◽

Shiwen Fan ◽

Hongchao Kou ◽

Kefu Yao

Keyword(s):

Short Range ◽

Short Range Order ◽

Glass Forming Ability ◽

Range Order ◽

Glass Forming ◽

Order Domain

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Correlation between icosahedral short range order, glass forming ability, and thermal stability of Zr–Ti–Ni–Cu–(Be) glasses

Applied Physics Letters ◽

10.1063/1.2755924 ◽

2007 ◽

Vol 91 (2) ◽

pp. 021907 ◽

Cited By ~ 18

Author(s):

S. Mechler ◽

G. Schumacher ◽

I. Zizak ◽

M.-P. Macht ◽

N. Wanderka

Keyword(s):

Thermal Stability ◽

Short Range ◽

Short Range Order ◽

Glass Forming Ability ◽

Range Order ◽

Glass Forming ◽

Thermal Stability Of

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Topological and chemical short-range order and their correlation with glass form ability of Mg-Zn metallic glasses: A molecular dynamics study

Computational Materials Science ◽

10.1016/j.commatsci.2020.109709 ◽

2020 ◽

Vol 180 ◽

pp. 109709

Author(s):

A. Foroughi ◽

R. Tavakoli

Keyword(s):

Molecular Dynamics ◽

Metallic Glasses ◽

Short Range ◽

Short Range Order ◽

Range Order ◽

Glass Form Ability

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Effect of Compositional Short Range Order on Glass Formation in Binary Metallic System

MRS Proceedings ◽

10.1557/proc-754-cc6.16 ◽

2002 ◽

Vol 754 ◽

Author(s):

Hao Chen ◽

Mahadevan Khantha ◽

Takeshi Egami

Keyword(s):

Glass Transition ◽

Metallic Glass ◽

Bulk Metallic Glass ◽

Glass Formation ◽

Short Range ◽

Short Range Order ◽

Glass Forming Ability ◽

Range Order ◽

Dynamics Simulation ◽

Glass Forming

ABSTRACTMolecular Dynamics simulation was carried out to study the glass transition and crystallization in the metal-metalloid binary system with pair-wise potentials. The results show that a repulsive potential between metalloid (small) atoms increases the glass forming ability. The observation is consistent with the recent theory of bulk metallic glass formation through local glass transition and nano-glass formation. The theory predicted that the compositional short-range order (CSRO) prevents the small atom pairing so as to increase the glass forming ability (GFA). The present results demonstrate the important role of CSRO in bulk metallic glass formation.

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