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

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

Research output: Contribution to journalArticle

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.

Original languageEnglish
Pages (from-to)462-468
Number of pages7
JournalComputational Materials Science
Volume43
Issue number3
DOIs
Publication statusPublished - 2008 Sep 1

Fingerprint

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

Cite this

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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 Yun; Weng, Cheng I.; Ju, Shin Pon; Yang, An Cheng.

In: Computational Materials Science, Vol. 43, No. 3, 01.09.2008, p. 462-468.

Research output: Contribution to journalArticle

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