Free energy calculation of Al-Cu-Fe quasicrystal phase with the effect of external potential

Jian Jun Zhang; Yong Xin Wang; Zheng Chen; Bing Liu

Free energy calculation of Al-Cu-Fe quasicrystal phase with the effect of external potential

Jian Jun Zhang, Yong Xin Wang, Zheng Chen, Bing Liu

Queen Mary University of London Engineering School

Northwestern Polytechnical University Xian

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

Abstract

Based on Thomas-Fermi model, the change trend of free energy and Gibbs free energy of Al-Cu-Fe alloy and quasicrystal Al_62.5Cu₂₅ Fe_12.5 in electric field was calculated. The main conclusion is following: The stability of Al_62.5Cu₂₅Fe_12.5 phase in electric field is the lowest, and then is the compound Al₇Cu₂Fe, the binary compound Al₂Cu is more stable than quasicrystal phase and Al₇Cu₂Fe, but the stability of Al₂ Cu is lower than that of solid solution. With the effect of positive, negative boundary potential and electrode potential, the free energy of quasicrystal phase, compound and solid solution increase with the increasing of boundary potential and electrode potential, and the change trend is similar symmetry about zero, and the effect of positive electric field is more intensive than the negative electric field.

Original language	English
Pages (from-to)	146-151
Number of pages	6
Journal	Cailiao Rechuli Xuebao/Transactions of Materials and Heat Treatment
Volume	29
Issue number	1
State	Published - Feb 2008

Keywords

Electric field
Free energy
Gibbs free energy
Quasicrystal
Thomas-Fermi model

Cite this

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title = "Free energy calculation of Al-Cu-Fe quasicrystal phase with the effect of external potential",

abstract = "Based on Thomas-Fermi model, the change trend of free energy and Gibbs free energy of Al-Cu-Fe alloy and quasicrystal Al62.5Cu25 Fe12.5 in electric field was calculated. The main conclusion is following: The stability of Al62.5Cu25Fe12.5 phase in electric field is the lowest, and then is the compound Al7Cu2Fe, the binary compound Al2Cu is more stable than quasicrystal phase and Al7Cu2Fe, but the stability of Al2 Cu is lower than that of solid solution. With the effect of positive, negative boundary potential and electrode potential, the free energy of quasicrystal phase, compound and solid solution increase with the increasing of boundary potential and electrode potential, and the change trend is similar symmetry about zero, and the effect of positive electric field is more intensive than the negative electric field.",

keywords = "Electric field, Free energy, Gibbs free energy, Quasicrystal, Thomas-Fermi model",

author = "Zhang, {Jian Jun} and Wang, {Yong Xin} and Zheng Chen and Bing Liu",

year = "2008",

month = feb,

language = "英语",

volume = "29",

pages = "146--151",

journal = "Cailiao Rechuli Xuebao/Transactions of Materials and Heat Treatment",

issn = "1009-6264",

publisher = "Chinese Mechanical Engineering Society",

number = "1",

}

TY - JOUR

T1 - Free energy calculation of Al-Cu-Fe quasicrystal phase with the effect of external potential

AU - Zhang, Jian Jun

AU - Wang, Yong Xin

AU - Chen, Zheng

AU - Liu, Bing

PY - 2008/2

Y1 - 2008/2

N2 - Based on Thomas-Fermi model, the change trend of free energy and Gibbs free energy of Al-Cu-Fe alloy and quasicrystal Al62.5Cu25 Fe12.5 in electric field was calculated. The main conclusion is following: The stability of Al62.5Cu25Fe12.5 phase in electric field is the lowest, and then is the compound Al7Cu2Fe, the binary compound Al2Cu is more stable than quasicrystal phase and Al7Cu2Fe, but the stability of Al2 Cu is lower than that of solid solution. With the effect of positive, negative boundary potential and electrode potential, the free energy of quasicrystal phase, compound and solid solution increase with the increasing of boundary potential and electrode potential, and the change trend is similar symmetry about zero, and the effect of positive electric field is more intensive than the negative electric field.

AB - Based on Thomas-Fermi model, the change trend of free energy and Gibbs free energy of Al-Cu-Fe alloy and quasicrystal Al62.5Cu25 Fe12.5 in electric field was calculated. The main conclusion is following: The stability of Al62.5Cu25Fe12.5 phase in electric field is the lowest, and then is the compound Al7Cu2Fe, the binary compound Al2Cu is more stable than quasicrystal phase and Al7Cu2Fe, but the stability of Al2 Cu is lower than that of solid solution. With the effect of positive, negative boundary potential and electrode potential, the free energy of quasicrystal phase, compound and solid solution increase with the increasing of boundary potential and electrode potential, and the change trend is similar symmetry about zero, and the effect of positive electric field is more intensive than the negative electric field.

KW - Electric field

KW - Free energy

KW - Gibbs free energy

KW - Quasicrystal

KW - Thomas-Fermi model

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M3 - 文章

AN - SCOPUS:40949140955

SN - 1009-6264

VL - 29

SP - 146

EP - 151

JO - Cailiao Rechuli Xuebao/Transactions of Materials and Heat Treatment

JF - Cailiao Rechuli Xuebao/Transactions of Materials and Heat Treatment

IS - 1

ER -

Free energy calculation of Al-Cu-Fe quasicrystal phase with the effect of external potential

Abstract

Keywords

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