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

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.

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

This work aims to investigate the effect of Pt concentration on crystal growth mechanism of Platinum-Palladium (Pt-Pd) binary alloy system during the annealing process starting from amorphous phase until some definite temperatures. The calculations have been performed by using molecular dynamic (MD) simulations. Interatomic interactions are described by on Sutton-Chen type Embedded Atom Potential Energy function. In order to understand the main structural properties at the stable and unstable phases, changes in RDF curves versus time have been analysed 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.

Evidence of a novel intermetallic Mg7Ag3 phase in Mg–Ag binary alloy system

A novel intermetallic Mg7Ag3 phase in the Mg–Ag binary alloy system at 573 and 623 K was discovered by the diffusion couple technique combined with the equilibrated alloy method. The composition and crystal structure of the Mg7Ag3 phase were identified via scanning electron microscopy/energy dispersive spectrometry, X-ray diffractometry (XRD), electron backscatter diffraction (EBSD) and transmission electron microscopy (TEM). The refinement of the XRD patterns was performed by Rietveld analysis. The XRD data have shown that Mg7Ag3 crystallizes in a body-centered crystal structure with Immm/orthorhombic symmetry (space group No. 71) and lattice parameters a = 14.2172, b = 14.6184, c = 14.177 Å and α = 90°. The well indexed selected area electron diffraction patterns and Kikuchi pattern obtained from TEM and EBSD confirmed the crystallographic structure obtained by XRD.

THERMODYNAMIC STUDY OF BINARY ALLOY SYSTEM (Co–Cr) USING CALPHAD METHOD

This paper reports the thermodynamic analysis of (Co–Cr) system using THERMO-calc package (basis for CALPHAD) and PBIN database. Calculations involve binary phase diagram, Gibb’s energy curve and activity curve at three different elevated temperatures 2125[Formula: see text]K, 2150[Formula: see text]K and 2175[Formula: see text]K. Induced miscibility gap is observed at particular concentration. Binary phase diagram shows variation in phases in prescribed alloy with increasing temperature and mole fraction concentration of [Formula: see text]. The total Gibbs energy decreases with increasing temperature showing the stability of Co–Cr system. Activity showed thorough fluctuation resulting in negative deviation from Raoult’s law ideal curve.