Role of valence electrons for formation of glassy alloys

Mikio Fukuhara; Masae Takahashi; Yoshiyuki Kawazoe; Akihisa Inoue

doi:10.1016/j.jallcom.2008.07.156

Role of valence electrons for formation of glassy alloys

Mikio Fukuhara, Masae Takahashi, Yoshiyuki Kawazoe, Akihisa Inoue

Research output: Contribution to journal › Article › peer-review

11 Citations (Scopus)

Abstract

The role of valence electrons for formation of glassy alloys was investigated as a function of their valence electron concentration (VEC). The glass transition temperature T_g of 121 kinds of glassy alloys can be expressed as a linear function of VEC: T_g = 131VEC + 65 (2.3 < VEC < 5.2) for metal/metal bonding type and T_g = -240VEC + 2408 (6.6 < VEC < 9.1) for metal/metalloid bonding one. The thermal stability of the glassy alloys increases by the unsynchronized resonance of electron-pair bonds, and decreases due to increase in covalency by metalloid elements, with an increasing number of valence electrons, respectively. Ab initio molecular orbital calculations of the optimized structures for the Mg monoanion clusters warranted application of the valence electron rule, which is based on a valence electron contribution associated with spd or spf hybridization for glass formation.

Original language	English
Pages (from-to)	623-626
Number of pages	4
Journal	Journal of Alloys and Compounds
Volume	483
Issue number	1-2
DOIs	https://doi.org/10.1016/j.jallcom.2008.07.156
Publication status	Published - 2009 Aug 26

Keywords

Electronic rule for formation
Glassy alloys
Hybridization
Valence electrons

ASJC Scopus subject areas

Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

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10.1016/j.jallcom.2008.07.156

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title = "Role of valence electrons for formation of glassy alloys",

abstract = "The role of valence electrons for formation of glassy alloys was investigated as a function of their valence electron concentration (VEC). The glass transition temperature Tg of 121 kinds of glassy alloys can be expressed as a linear function of VEC: Tg = 131VEC + 65 (2.3 < VEC < 5.2) for metal/metal bonding type and Tg = -240VEC + 2408 (6.6 < VEC < 9.1) for metal/metalloid bonding one. The thermal stability of the glassy alloys increases by the unsynchronized resonance of electron-pair bonds, and decreases due to increase in covalency by metalloid elements, with an increasing number of valence electrons, respectively. Ab initio molecular orbital calculations of the optimized structures for the Mg monoanion clusters warranted application of the valence electron rule, which is based on a valence electron contribution associated with spd or spf hybridization for glass formation.",

keywords = "Electronic rule for formation, Glassy alloys, Hybridization, Valence electrons",

author = "Mikio Fukuhara and Masae Takahashi and Yoshiyuki Kawazoe and Akihisa Inoue",

note = "Funding Information: This work was supported by a Grant-In-Aid for Science Research in a priority Area {\textquoteleft}Research and Development Project on Advanced Metallic Glasses, Inorganic Materials and Joining Technology{\textquoteright} from the Ministry of Education, Science, Sports and Culture, Japan, and by the JSPS Asian CORE Program.",

year = "2009",

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doi = "10.1016/j.jallcom.2008.07.156",

language = "English",

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AU - Fukuhara, Mikio

AU - Takahashi, Masae

AU - Kawazoe, Yoshiyuki

AU - Inoue, Akihisa

N1 - Funding Information: This work was supported by a Grant-In-Aid for Science Research in a priority Area ‘Research and Development Project on Advanced Metallic Glasses, Inorganic Materials and Joining Technology’ from the Ministry of Education, Science, Sports and Culture, Japan, and by the JSPS Asian CORE Program.

PY - 2009/8/26

Y1 - 2009/8/26

N2 - The role of valence electrons for formation of glassy alloys was investigated as a function of their valence electron concentration (VEC). The glass transition temperature Tg of 121 kinds of glassy alloys can be expressed as a linear function of VEC: Tg = 131VEC + 65 (2.3 < VEC < 5.2) for metal/metal bonding type and Tg = -240VEC + 2408 (6.6 < VEC < 9.1) for metal/metalloid bonding one. The thermal stability of the glassy alloys increases by the unsynchronized resonance of electron-pair bonds, and decreases due to increase in covalency by metalloid elements, with an increasing number of valence electrons, respectively. Ab initio molecular orbital calculations of the optimized structures for the Mg monoanion clusters warranted application of the valence electron rule, which is based on a valence electron contribution associated with spd or spf hybridization for glass formation.

AB - The role of valence electrons for formation of glassy alloys was investigated as a function of their valence electron concentration (VEC). The glass transition temperature Tg of 121 kinds of glassy alloys can be expressed as a linear function of VEC: Tg = 131VEC + 65 (2.3 < VEC < 5.2) for metal/metal bonding type and Tg = -240VEC + 2408 (6.6 < VEC < 9.1) for metal/metalloid bonding one. The thermal stability of the glassy alloys increases by the unsynchronized resonance of electron-pair bonds, and decreases due to increase in covalency by metalloid elements, with an increasing number of valence electrons, respectively. Ab initio molecular orbital calculations of the optimized structures for the Mg monoanion clusters warranted application of the valence electron rule, which is based on a valence electron contribution associated with spd or spf hybridization for glass formation.

KW - Electronic rule for formation

KW - Glassy alloys

KW - Hybridization

KW - Valence electrons

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Role of valence electrons for formation of glassy alloys

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Keywords

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