The phase diagram of the binary Fe-Zr system was redetermined by differential thermal analysis (DTA), electron-probe microanalysis (EPMA), x-ray diffraction (XRD), and metallography in the whole range of compositions The stable intermetallic phases of the binary system are the cubic and the hexagonal polymorphs of the Fe2Zr Laves phase and the Zr-rich phases FeZr2 and FeZr3 While the cubic polymorph of the Laves phase is the stable structure at the stoichiometric Fe2Zr composition, the hexagonal C36-type polymorph of the Laves phase is a high-temperature phase that is found at Zr concentrations as low as 266 at% The Zr-rich phases FeZr2 and FeZr3 have small homogeneity ranges of about 05 at% FeZr2 is a high-temperature phase, stable between 780 and 951 °C FeZr3 decomposes peritectoidally at 851 °C The frequently reported phase Fe23Zr6 (Fe3Zr) is found not to be an equilibrium phase of the binary system

Experimental Determination of Intermetallic Phases, Phase Equilibria, and Invariant Reaction Temperatures in the Fe–Zr System

Structure and stability of Laves phases part II—structure type variations in binary and ternary systems

Effects of boron on microstructure in cast titanium alloys

Protection of Zirconium by Alumina- and Chromia-Forming Iron Alloys under High-Temperature Steam Exposure

A first principles study of cohesive, elastic and electronic properties of binary Fe–Zr intermetallics

Thermodynamic calculations of Fe-Zr and Fe-Zr-C systems have been performed using the Thermo-Calc software based on an extensive amount of experimental data, including the thermodynamic measurements and available phase diagram information. The calculated thermodynamic properties and phase diagram in the Fe-Zr system account for the experimental data reasonably, while the calculated solubility of ZrC in γFe in the Fe-Zr-C system is a little smaller than the only experimental data by Narrita; to clear up this discrepancy, further investigations on the Fe-Zr-C as well as the Zr-C systems are needed.

Thermodynamic Calculations of Fe-Zr and Fe-Zr-C Systems

The homogeneous nucleation process induced by supercooling liquid Pt has been studied by means of molecular dynamics employing the embedded-atom method for the potential energy. The process was simulated by cooling an equilibrated liquid to a low temperature, while structure analysis was performed during the subsequent time evolution of the system under constant temperature and pressure conditions. In order to investigate the effects of degree of supercooling and cooling rate on crystallization, cooling temperature was varied from 900 to 1300 K and three processes at different cooling rates were studied. The results proved that certain degree of supercooling is necessary for homogeneous nucleation of crystals due to the existence of a free energy barrier in forming critical nuclei from supercooled liquid, as described by the classical theory of homogeneous nucleation. The scale of the degree of supercooling has much effect on the incubation period of homogeneous nucleation and nucleation rate. The crystallization towards fcc and hcp phases takes place in all homogeneous nucleation processes from liquid in our simulations. The progression of crystallization is sensitive to cooling rate. A very high cooling rate has been found to prolong incubation period, decrease nucleation rate, thus suppress crystallization. This may be associated with the phenomenon that high cooling rate prohibits the rearrangement of atoms towards forming a crystal lattice at high temperatures during the early stage of cooling.

Molecular Dynamics Simulations of Nucleation Process from Supercooled Liquid Pt with EAM Potentials

The homogeneous nucleation process induced by supercooling liquid Pt has been studied by means of molecular dynamics employing the embedded-atom method for the potential energy. The process was simulated by cooling an equilibrated liquid to a low temperature, while structure analysis was performed during the subsequent time evolution of the system under constant temperature and pressure conditions. In order to investigate the effects of degree of supercooling and cooling rate on crystallization, cooling temperature was varied from 900 to 1300 K and three processes at different cooling rates were studied. The results proved that certain degree of supercooling is necessary for homogeneous nucleation of crystals due to the existence of a free energy barrier in forming critical nuclei from supercooled liquid, as described by the classical theory of homogeneous nucleation. The scale of the degree of supercooling has much effect on the incubation period of homogeneous nucleation and nucleation rate. The crystallization towards fcc and hcp phases takes place in all homogeneous nucleation processes from liquid in our simulations. The progression of crystallization is sensitive to cooling rate. A very high cooling rate has been found to prolong incubation period, decrease nucleation rate, thus suppress crystallization. This may be associated with the phenomenon that high cooling rate prohibits the rearrangement of atoms towards forming a crystal lattice at high temperatures during the early stage of cooling.

Molecular dynamics simulations of nucleation process from supercooled liquid Pt with EAM potentials : Advances in computational materials science and engineering II

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Thermodynamic Calculations of Fe-Zr and Fe-Zr-C Systems

Molecular Dynamics Simulations of Nucleation Process from Supercooled Liquid Pt with EAM Potentials

Molecular dynamics simulations of nucleation process from supercooled liquid Pt with EAM potentials : Advances in computational materials science and engineering II