Al4Ir: An Al-Ir Binary-Phase Superstructure of the Ni2Al3 Type.

A binary phase with Al4Ir composition has been discovered in the Al-Ir binary system. Single-crystal X-ray diffraction analysis reveals that it crystallizes in the trigonal space group P3c1 with the unit cell parameters a = 12.8802(2) Å and c = 9.8130(2) Å. This structure is derived from the Ni2Al3 structure type. The supercell is due to the ordering of the aluminum atoms, which replace the nickel atoms in the prototype structure. The crystal structure was directly imaged by atomic-scale scanning transmission electron microscopy, and the misalignment of the Al site responsible for the supercell has been clearly evidenced. Its metastable nature has been confirmed by differential thermal analysis measurements. The atomic and electronic structures of Al4Ir have also been investigated by density functional theory. The structural optimization leads to lattice parameters and atomic positions in good agreement with the experimental ones. The compound is metallic, with a minimum in the density of states located more than 1 eV above the Fermi energy. This suggests a metastable system, in agreement with the electron count found much above 18 electrons per Ir atom, deviating from the Hume-Rothery rule and with the presence of occupied antibonding states revealed by the crystal orbital Hamiltonian population analysis. The relative stability of the compound is ensured by the hybridization between sp-Al and d-Ir states within Ir-centered clusters, while covalent-like interactions in-between the clusters are indicated by the analysis of the electron localizability function.

Influence of Minor Cr Additions on Crystal Growth in Rapidly Solidified Al-20Zn Alloys.

It has been discovered quite recently that Icosahedral Short-Range Order (ISRO) of atoms in the liquid phase of metallic alloys surrounding some trace elements added to the melt can influence both the nucleation and growth of the primary phase. In this work, Al-20wt.%Zn alloys without and with 0.1wt.%Cr additions have been processed using a free-falling droplet technique. This technique allows to undercool the liquid droplet during its fall and thus to have rapid directional solidification conditions when it collides a copper-cooled substrate. Under such rapid solidification conditions, microstructural and EBSD analyses have shown that, under such rapid solidification conditions, Cr addition is responsible for the nucleation and growth of feathery grains (or twinned dendrites). This morphology specific to aluminum alloys has been discovered more than seventy years ago without a clear identification of its origin. The angular analysis between twinned dendrites indicates a behavior similar to those of the propagation of topological defects, through an ISRO-induced stacking fault mechanism.

Variations of the Elastic Properties of the CoCrFeMnNi High Entropy Alloy Deformed by Groove Cold Rolling.

The variations of the mechanical properties of the CoCrFeMnNi high entropy alloy (HEA) during groove cold rolling process were investigated with the aim of understanding their correlation relationships with the crystallographic texture. Our study revealed divergences in the variations of the microhardness and yield strength measured from samples deformed by groove cold rolling and conventional cold rolling processes. The crystallographic texture analyzed by electron back scattered diffraction (EBSD) revealed a hybrid texture between those obtained by conventional rolling and drawing processes. Though the groove cold rolling process induced a marked strengthening effect in the CoCrFeMnNi HEA, the mechanical properties were also characterized by an unusual decrease of the Young's modulus as the applied groove cold rolled deformation increased up to about 0.5 before reaching a stabilized value. This decrease of the Young's modulus was attributed to the increased density of mobile dislocations induced by work hardening during groove cold rolling processing.

Microsegregation Model Including Convection and Tip Undercooling: Application to Directional Solidification and Welding.

The microsegregation behavior of alloy filler metal 52 (FM 52) was studied using microprobe analysis on two different solidification processes. First, microsegregation was characterized in samples manufactured by directional solidification, and then by gas tungsten arc welding (GTAW). The experimental results were compared with Thermo-Calc calculations to verify their accuracy. It was confirmed that the thermodynamic database predicts most alloying elements well. Once this data had been determined, several tip undercooling calculations were carried out for different solidification conditions in terms of fluid flow and thermal gradient values. These calculations allowed the authors to develop a parametrization card for the constants of the microsegregation model, according to the process parameters (e.g., convection in melt pool, thermal gradient, and growth velocity). A new model of microsegregation, including convection and tip undercooling, is also proposed. The Tong⁻Beckermann microsegregation model was used individually and coupled with a modified Kurz-Giovanola-Trivedi (KGT) tip undercooling model, in order to take into account the convection in the fluid flow at the dendrite tip. Model predictions were compared to experimental results and showed the microsegregation evolution accurately.

Three Dimensional Methodology to Characterize Large Dendritic Equiaxed Grains in Industrial Steel Ingots.

The primary phase grain size is a key parameter to understand the formation of the macrosegregation pattern in large steel ingots. Most of the characterization techniques use two-dimensional measurements. In this paper, a characterization method has been developed for equiaxed dendritic grains in industrial steel castings. A total of 383 contours were drawn two-dimensionally on twelve 6.6 cm²slices. A three-dimensional reconstruction method is performed to obtain 171 three-dimensional grains. Data regarding the size, shape and orientation of equiaxed grains is presented and thereby shows that equiaxed grains are centimeter-scale complex objects. They appear to be a poly-dispersed collection of non-isotropic objects possessing preferential orientations. In addition, the volumetric grain number density is 2.2×107 grains/m3, which compares to the 0.5×107 grains/m3 that can be obtained with estimation from 2D measurements. The 2.2×107 grains/m3 value is ten-times smaller than that previously used in the literature to simulate the macrosegregation profile in the same 6.2 ton ingot.