From clusters to phase diagrams: composition rules of quasicrystals and bulk metallic glasses

Dong, C.; Wang, Q; Qiang, Jianbing; Wang, Y M; Jiang, Nan; Han, Guangbing; Li, Y H; Wu, Junjie; Xia, Junhai

doi:10.1088/0022-3727/40/15/r01

Cited by 213 publications

(132 citation statements)

References 101 publications

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“…Following the same strategy, we have developed the cluster-plus-glue-atom model to address the structural description of metallic glasses, quasicrystals (QCs) [2], and even normal compounds [3]. In this model, a phase structure is dissociated into a 1st-neighbor coordination polyhedron (i.e.…”

Section: Introductionmentioning

confidence: 99%

Compositions of Al-Based Quasicrystals Interpreted by Cluster Formulae

Chen¹,

Qiang²,

Wang³

et al. 2014

Acta Phys. Pol. A

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It is known previously that bulk metallic glass compositions satisfy cluster formulae [cluster](glue atom)1,3 of 24 valence electrons as deduced from our cluster-resonance model. In the present work, it is further shown that compositions of Al-based binary and ternary quasicrystals are also explained by 24-electron cluster formulae of the types [icosahedron](glue atom)0,1, where the icosahedral cluster is identied from a corresponding crystalline approximant according to dense atomic packing and cluster isolation criteria, and the glue atom site is either vacant for an icosahedral quasicrystal or equal to one for a decagonal quasicrystal. Ternary quasicrystals are formulated with the same formulae as their basic binary ones but the icosahedron shell sites are substituted by third elements. The 24-electron cluster formulae are then the chemical and electronic structural units of quasicrystals, mimicking the molecular formulae of chemical substances.

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Section: Introductionmentioning

confidence: 99%

Compositions of Al-Based Quasicrystals Interpreted by Cluster Formulae

Chen¹,

Qiang²,

Wang³

et al. 2014

Acta Phys. Pol. A

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“…3,4 Here, the cluster represents the 1st nearest-neighbor while the glue atoms represent the 2nd nearest-neighbor, which cover already the principal short-range order structural feature. It is interesting to notice that the compositions of good metallic glasses with high glass forming abilities are universally expressed by a simple cluster formula [cluster](glue atom) 1,3 , where one cluster is matched with 1 or 3 glue atoms. A possible explanation of such simple formulism lies in the way how clusters are packed.…”

mentioning

confidence: 99%

Comment on “Comparative analysis of glass-formation in binary, ternary, and multicomponent alloys” [J. Appl. Phys. 108, 103511 (2010)]

Luo

Dong

2013

Journal of Applied Physics

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“…We first use the 'cluster-plus-glue-atom' model [12,13] for BMG composition design. This model presents a semiphenomenological treatment of a BMG structure.…”

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confidence: 99%

Revisiting Al-Ni-Zr bulk metallic glasses using the ‘cluster-resonance’ model

Qiang

Wang

et al. 2011

Chin. Sci. Bull.

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(x=1, 1.5, 2, 3) were designed in this work and the bulk metallic glass (BMG) formation of these compositions was investigated by copper mold suction casting. A centimeter-scale BMG sample was obtained for the Ni 4 Zr 9 Al 2 (Al 13.3 Ni 26.7 Zr 60 in atomic percent) composition. The thermal glass parameters for this BMG were determined to be ΔT x = 68 K, T rg = 0.579, and γ m = 0.689. Using the 'cluster-resonance' model for glass formation an optimal BMG composition was determined using the cluster formula [Ni 3 Zr 9 ](Al 2 Ni 1 ). . These complex alloys are based on the basic ternary systems of Al-TM-Zr (TM = Ni, Co, Cu) together with specific alloying substitutes [5,7,8]. A rationalization of the glass-forming abilities (GFAs) of Al-TM-Zr alloys is desirable to quantify complex BMG compositions. Disagreements exist with regard to experimental accounts of the GFA for fundamental ternary systems [9][10][11]. This study is devoted to a reexamination of the GFAs of Al-Ni-Zr alloys. We first use the 'cluster-plus-glue-atom' model [12,13] for BMG composition design. This model presents a semiphenomenological treatment of a BMG structure. An atomic cluster of specific topology, chemical composition and glue structure were used to establish the statistical composition of a BMG system. An ideal BMG assumes universal cluster formulae such as [cluster] 1 (glue atoms) x , with x=1 or 3 [13,14]. To determine the structural stability of the model structure we recently proposed a 'cluster-resonance' model by taking the coupling of long-range Friedel oscillations of valence electrons with the pair correlation function into consideration [15]. The composition design of Al-Ni-Zr BMG alloys is incorporated into the model that follows. The 'cluster-resonance' model and composition designAccording to Häussler et al. [16] the static atomic structure of an ideal amorphous state is in resonance with the longrange Friedel oscillations of valence electrons. The resonance results in spherical periodicity as shown by the peak (shell) oscillation with a certain period in the pair correlation function of an ideal amorphous state. The spherical periodicity gives an oscillation wavelength ( Fr ) in the form of

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From clusters to phase diagrams: composition rules of quasicrystals and bulk metallic glasses

Cited by 213 publications

References 101 publications

Compositions of Al-Based Quasicrystals Interpreted by Cluster Formulae

Compositions of Al-Based Quasicrystals Interpreted by Cluster Formulae

Comment on “Comparative analysis of glass-formation in binary, ternary, and multicomponent alloys” [J. Appl. Phys. 108, 103511 (2010)]

Revisiting Al-Ni-Zr bulk metallic glasses using the ‘cluster-resonance’ model

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