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Title: Icosahedral order in liquids

Abstract

The possibility of icosahedral order in liquids and its role in glass transition is discussed in a broad context of statistical mechanics of liquid. It is pointed out that the structures of glasses and liquids are described both in terms of the topology of atomic bond networks as well as the local distortion of the atomic bonds. While topology plays a dominant role in covalent glasses, local distortion is likely to be more important for metallic glasses.

Authors:
 [1]
  1. ORNL
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
931139
DOE Contract Number:
DE-AC05-00OR22725
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Non-Crystalline Solids; Journal Volume: 353
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; GLASS; METALLIC GLASSES; STATISTICAL MECHANICS; TOPOLOGY

Citation Formats

Egami, Takeshi. Icosahedral order in liquids. United States: N. p., 2007. Web. doi:10.1016/j.jnoncrysol.2007.05.148.
Egami, Takeshi. Icosahedral order in liquids. United States. doi:10.1016/j.jnoncrysol.2007.05.148.
Egami, Takeshi. Mon . "Icosahedral order in liquids". United States. doi:10.1016/j.jnoncrysol.2007.05.148.
@article{osti_931139,
title = {Icosahedral order in liquids},
author = {Egami, Takeshi},
abstractNote = {The possibility of icosahedral order in liquids and its role in glass transition is discussed in a broad context of statistical mechanics of liquid. It is pointed out that the structures of glasses and liquids are described both in terms of the topology of atomic bond networks as well as the local distortion of the atomic bonds. While topology plays a dominant role in covalent glasses, local distortion is likely to be more important for metallic glasses.},
doi = {10.1016/j.jnoncrysol.2007.05.148},
journal = {Journal of Non-Crystalline Solids},
number = ,
volume = 353,
place = {United States},
year = {Mon Jan 01 00:00:00 EST 2007},
month = {Mon Jan 01 00:00:00 EST 2007}
}
  • Voronoi polyhedra and Delone simplexes generated by the Monte Carlo method are studied for Lennard-Jones liquids. An analysis of their topological and metric properties indicates the virtual absence of icosahedral and crystalline coordination of atoms. Aggregates of almost regular tetrahedral configurations are a typical feature of the liquid structure and are distributed such that the tetrahedra have common faces and, as a result, form branched complexes.
  • The quasicrystalline state characterized by long range icosahedral order was firstly reported by Shechtman et al. Icosahedral bond-orientational order has ben observed in a molecular dynamics simulation of an under-cooled Lennard-Jones liquid. A correlation between the structure factors of metallic glasses and the icosahedral solid was also noted. Al[sub 12]Mo(or Al[sub 12]W) is a compound with a structure consisting of a bcc array of Al icosahedron centered by Mo(or W); thus it contains 13 atoms per primitive unit cell and local icosahedral packing which is in favor of the formation of an icosahedral phase in a quenched state. Meanwhile Nimore » is known as a promotion element for the creation of an Al based amorphous alloy. The authors have observed that the icosahedral phase is created in AlNiMo alloys and transited to an amorphous phase with increasing Ni. Transformation from amorphous via i-phase and finally to Al[sub 12]Mo was observed in Al[sub 85Ni][sub 10Mo][sub 5]. In this paper, the authors focus on the icosahedron and icosahedral order in correlation with composition in the Al-Ni-Mo system.« less
  • One explanation for the glass transition is a geometrical frustration owing to the development of non-space-filling short-range order (icosahedral, tetrahedral). However, experimental demonstrations of this are lacking. Here, the first quantitative measurements of the time-dependent nucleation rate in a Zr59Ti3Cu20Ni8Al10 bulk metallic glass are combined with the first measurements of the evolution of the supercooled liquid structure to near the glass transition temperature to provide strong support for an icosahedral-order-based frustration model for the glass transition in Zr-based glasses.