The effect of the size and bonding strength of the added element on the microstructure of the binary alloy

Yung-Yu Chen, Cheng I. Weng, Shin Pon Ju, An Cheng Yang

研究成果: Article

摘要

Molecular dynamics simulations are used to investigate the microstructures of five Ni-based alloys. The five added atoms Co, Cu, Rh, Al, and Zr are used to investigate the influence of the size and the bonding strength of the added element on the microstructures of the alloys. A many-body second moment tight binding approximation potential is adopted to model the interatomic interactions. The Honeycutt-Andersen (HA) pair analysis technique and radial distribution function (RDF) are adopted to obtain information on the local structures and relative atomic distribution for different alloys. In this study, it is found that the differences of atomic size between Ni and the alloyed element is a key factor in the crystalline formation of alloy.

原文English
頁(從 - 到)462-468
頁數7
期刊Computational Materials Science
43
發行號3
DOIs
出版狀態Published - 2008 九月 1

指紋

Binary Alloys
Binary alloys
binary alloys
Microstructure
microstructure
Radial Distribution Function
Tight-binding
Local Structure
radial distribution
Molecular Dynamics Simulation
Distribution functions
Molecular dynamics
distribution functions
molecular dynamics
Crystalline materials
Moment
moments
Atoms
Computer simulation
Approximation

All Science Journal Classification (ASJC) codes

  • Computer Science(all)
  • Chemistry(all)
  • Materials Science(all)
  • Mechanics of Materials
  • Physics and Astronomy(all)
  • Computational Mathematics

引用此文

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abstract = "Molecular dynamics simulations are used to investigate the microstructures of five Ni-based alloys. The five added atoms Co, Cu, Rh, Al, and Zr are used to investigate the influence of the size and the bonding strength of the added element on the microstructures of the alloys. A many-body second moment tight binding approximation potential is adopted to model the interatomic interactions. The Honeycutt-Andersen (HA) pair analysis technique and radial distribution function (RDF) are adopted to obtain information on the local structures and relative atomic distribution for different alloys. In this study, it is found that the differences of atomic size between Ni and the alloyed element is a key factor in the crystalline formation of alloy.",
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The effect of the size and bonding strength of the added element on the microstructure of the binary alloy. / Chen, Yung-Yu; Weng, Cheng I.; Ju, Shin Pon; Yang, An Cheng.

於: Computational Materials Science, 卷 43, 編號 3, 01.09.2008, p. 462-468.

研究成果: Article

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