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Author:

Zhan, Chun-Yao (Zhan, Chun-Yao.) | Wang, Wei (Wang, Wei.) (Scholars:王伟) | Tang, Zhen-Lei (Tang, Zhen-Lei.) | Nie, Zuo-Ren (Nie, Zuo-Ren.) (Scholars:聂祚仁)

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Abstract:

The difference of the electron chemical potential energy between the atom cells in the calculated aluminum alloys was considered to have a negative effect on the formation energy of the alloy system. The function of parameter ψ* to the thermodynamic calculation was assessed and a new formula about the parameter ψ* for rare earth elements were established. The results show that the calculated value through the proposal parameter ψ* is near to the system work function, and the maximum relative error is within 12.0% while the average relative error is less than 5.0%. The calculated mixing enthalpy values of the alloys are much closer to the published experimental results.

Keyword:

Potential energy Aluminum alloys Enthalpy Work function Mixing Rare earth elements Rare earths

Author Community:

  • [ 1 ] [Zhan, Chun-Yao]School of Materials Science and Engineering, Beijing University of Technology, Beijing 100022, China
  • [ 2 ] [Wang, Wei]School of Materials Science and Engineering, Beijing University of Technology, Beijing 100022, China
  • [ 3 ] [Tang, Zhen-Lei]School of Materials Science and Engineering, Beijing University of Technology, Beijing 100022, China
  • [ 4 ] [Nie, Zuo-Ren]School of Materials Science and Engineering, Beijing University of Technology, Beijing 100022, China

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Source :

Chinese Journal of Nonferrous Metals

ISSN: 1004-0609

Year: 2009

Issue: 9

Volume: 19

Page: 1625-1631

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 7

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