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Open AccessArticle

The Impact of Pt Concentration on Crystal Growth Mechanism in Pt-Pd Binary Alloy System in the Context of Molecular Dynamics

1
Physics Department, Science Institute, Bitlis Eren University, Bitlis 13000, Turkey
2
Physics Department, Faculty of Arts and Sciences, Bitlis Eren University, Bitlis 13000, Turkey
*
Author to whom correspondence should be addressed.
Metals 2018, 8(11), 926; https://doi.org/10.3390/met8110926
Received: 18 October 2018 / Revised: 3 November 2018 / Accepted: 6 November 2018 / Published: 9 November 2018
(This article belongs to the Special Issue Rapid Solidification Processing)
This work aims to investigate the effect of Pt concentration on the crystal growth mechanism of a Platinum-Palladium (Pt-Pd) binary alloy system during the annealing process; starting from the amorphous phase to some definite temperatures. The calculations have been performed by using molecular dynamic (MD) simulations. Interatomic interactions are described by the Sutton-Chen type Embedded Atom Potential Energy function. In order to understand the main structural properties at the stable and unstable phases; changes in radial distribution function (RDF) curves versus time have been analyzed for different annealing temperatures. Crystalline type bonded pairs have been determined using MD calculations which is required for the computation of Avrami coefficients and for understanding crystal growth mechanism. The results demonstrate that the increase in concentration of Pt during annealing leads to migration of atoms in the crystal lattice points; elimination of dislocations and formation of perfect crystal structure. View Full-Text
Keywords: molecular dynamics; crystal growth; Avrami coefficients; Pt-Pd alloy molecular dynamics; crystal growth; Avrami coefficients; Pt-Pd alloy
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MDPI and ACS Style

Kizilagac, S.; Celik, F.A.; Koksal, K. The Impact of Pt Concentration on Crystal Growth Mechanism in Pt-Pd Binary Alloy System in the Context of Molecular Dynamics. Metals 2018, 8, 926.

AMA Style

Kizilagac S, Celik FA, Koksal K. The Impact of Pt Concentration on Crystal Growth Mechanism in Pt-Pd Binary Alloy System in the Context of Molecular Dynamics. Metals. 2018; 8(11):926.

Chicago/Turabian Style

Kizilagac, Servet; Celik, Fatih A.; Koksal, Koray. 2018. "The Impact of Pt Concentration on Crystal Growth Mechanism in Pt-Pd Binary Alloy System in the Context of Molecular Dynamics" Metals 8, no. 11: 926.

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