Packing efficiency of coordination polyhedra

Luo, Lingjie; Wu, Junjie; Wang, Qing; Wang, Yingmin; Han, Guangbing; Chen, Dong

doi:10.1080/14786435.2010.502146

Cited by 18 publications

(5 citation statements)

References 19 publications

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“…The first step in establishing a proper cluster formula is to identify the principal cluster from multiple ones in a eutectic phase using criteria such as cluster isolation and atomic packing efficiency [5,6]. The principal cluster in a given phase should exhibit the highest cluster isolation because it is supposed to be the most strongly bonded part in the structure.…”

Section: General Procedures For Establishing a Cluster Formulamentioning

confidence: 99%

“…This cluster enters into the cluster formula of the relevant metallic glass. Criteria such as cluster isolation and dense packing have been introduced to identify the principal cluster [5,6]. For instance, there are four clusters in phase Al 2 NiZr 6 , but only the Ni-centred capped trigonal prism Ni 3 Zr 9 with coordination number (CN) of 11 singles out as the principal cluster as shown in Figure 1.…”

Section: Introductionmentioning

confidence: 99%

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24 electron cluster formulas as the ‘molecular’ units of ideal metallic glasses

Luo

Chen

Wang

et al. 2014

Philosophical Magazine

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2014) 24 electron cluster formulas as the 'molecular' units of ideal metallic glasses, Philosophical Magazine, 94:22, 2520-2540, It is known that ideal metallic glasses fully complying with the Hume-Rothery stabilization mechanism can be expressed by a universal cluster formula of the form [cluster](glue atom) 1 or 3 . In the present work, it is shown, after a reexamination of the cluster-resonance model, that the number of electrons per unit cluster formula, e/u, is universally 24. The cluster formulas are then the atomic as well as the electronic structural units, mimicking the 'molecular' formulas for chemical substances. The origin of different electron number per atom ratios e/a is related to the total number of atoms Z in unit cluster formula, e/a = 24/Z. The 24 electron formulas are well confirmed in typical binary and ternary bulk metallic glasses.

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Section: General Procedures For Establishing a Cluster Formulamentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

24 electron cluster formulas as the ‘molecular’ units of ideal metallic glasses

Luo

Chen

Wang

et al. 2014

Philosophical Magazine

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“…Luo et al. further analyzed clusters shelled with different types of atoms 17. Both methods rely on assuming that atoms are of spherical shape with fixed radii, which are often not satisfied in real structures.…”

Section: Cluster Determinationmentioning

confidence: 99%

A Cluster–Resonance Criterion for Al‐TM Quasicrystal Compositions

Chen

Qiang

Wang

et al. 2011

Israel Journal of Chemistry

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Compositions of binary Al-TM (TM = Cr to Ni) quasicrystals are interpreted with a unified cluster formula [icosahedron](glue) 1 using the newly developed cluster-resonance model and the e/a formalism. The icosahedra are chosen from the corresponding approximants by considering large radial atomic density, high degree of isolation, and narrow distribution of the shell atoms. Icosahedral quasicrystals are expressed by an icosahedron plus one averaged icosahedron atom as the glue atom [icosahedron](icosahedron/13) 1 , characterized by e/a~1.83-1.85, while decagonal quasicrystals are expressed by an icosahedron plus one TM atom, with e/a~1.71-1.78. The total electrons accommodated in unit cluster formulas of different Al-TM quasicrystals have the same value approaching 24, which implies that the cluster formulas are both chemical and electronic structural units.

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“…Less free volume remains in the clusters, preventing atoms from diffusing freely and limiting both the occurrence of crystallization centres and crystal growth rates [19,20]. The adding of larger Ni atoms in AlCuMg alloys inhibits the formation of crystalline phases in the microstructure of the amorphous rapidly solidified ribbons [19,21]. The conclusion is that Ni is suitable for use as a minority alloying element (< 3 at.…”

Section: Resultsmentioning

confidence: 99%

Effect of Ni as minority alloying element on glass forming ability and crystallization behavior of rapidly solidified Al-Cu-Mg-Ni ribbons

Dyakova,

Mourdjeva,

Marinkov

et al. 2023

JCTM

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А series of rapidly solidified alloys (Al-Cu-Mg) 100-x Ni x , x = 0, 1, 2, 3 at. % were obtained by the Chill Block Melt Spinning (CBMS). XRD and TEM analyzes showed a completely amorphous structure of the alloys. The glass transition temperature (T g ), crystallization temperature (T x ), solidus T s and melting temperatures (liquidus) T l were determined by DSC analyses. It was found that T g and T x increased with increasing the nickel content in the alloys. The reduced glass transition temperature (T rg ), temperature difference ΔT x and the Hruby criterion K H were calculated. It was found that the alloy (Al-Cu-Mg) 97 Ni 3 is most thermally stable. Crystalline analogues of the amorphous alloys were obtained by annealing of melt-spun ribbons. The type and size of the separated crystal phases were determined by XRD analysis and a tendency for size diminishing with the nickel content increase was established.

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Packing efficiency of coordination polyhedra

Cited by 18 publications

References 19 publications

24 electron cluster formulas as the ‘molecular’ units of ideal metallic glasses

24 electron cluster formulas as the ‘molecular’ units of ideal metallic glasses

A Cluster–Resonance Criterion for Al‐TM Quasicrystal Compositions

Effect of Ni as minority alloying element on glass forming ability and crystallization behavior of rapidly solidified Al-Cu-Mg-Ni ribbons

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