Influence of rare earth elements on crystallization of Fe82Nb2B14RE2 (RE = Y, Gd, Tb, and Dy) amorphous alloys

The work concerns influence of rare earth elements on crystallization of Fe₈₂Nb₂B₁₄RE₂ (RE = Y, Gd, Tb, and Dy) group of amorphous alloys. The samples were obtained by typical melt spinning technique. The crystallization studies were carried out with the use of (i) differential scanning calorimetry (DSC) in the temperature range from 300 K to 850 K with different heating rates and (ii) standard magnetic balance (Faraday type). The crystalline structure before and after the first stage of crystallization were checked by XRD and HRTEM techniques. The measurements allow the determining crystallization temperatures, activation energies of crystallization, average size of nanograins formed during crystallization and the Curie temperatures. In the paper all the obtained results are widely discussed in the context of different rare earth alloying additions.     

Structure of liquid Al-Cu-Co alloys near the quasicrystal-forming range

A local short-to-intermediate range order in liquid Al_63.9Cu_19.4Co_16.7, Al₇₁Cu₆Co₂₃, and Al_6oCu₂₉Co₁₁ alloys was investigated by X-ray diffraction technique and the reverse Monte Carlo modeling. A prepeak at Q ~ 17 nm^− 1originating from the unique bonding between the TM-TM pair (TM = Co, Cu) is observed in the structure factors of all investigated melts. The Voronoi-Delaunay analysis of RMC models indicates that a medium-range ordering of TM atoms in dense non-crystalline polytetrahedral clusters is associated with a chemical short-range order. The icosahedral short-range order is also closely related to the dense packing polytetrahedral clusters. A decrease of temperature leads to an enhancement of both chemical short-range order and icosahedral short-range order.     

Microstructural analysis of atomistic models of Si-rich amorphous silicon-germanium alloys

A detailed microstructural analysis of amorphous silicon-germanium alloys with Ge fraction ranging from 0.1 to 0.5 is performed by means of a numerical modeling technique. By substituting Ge atoms for Si atoms in the nanoporous paracrystalline network of amorphous silicon, several amorphous silicon-germanium structures have been generated. Our main aim in the present work is to study the effect of compositional heterogeneities on the structural properties of amorphous silicon-germanium alloys in comparison with the standard case, that of a homogeneous random distribution of the atoms. We have limited ourselves here to the borderline case, that of segregation of Ge atoms at the nanoscale. The microstructure of our structural models is analyzed by examining the macroscopic mass density, the intensity of X-ray diffraction, the pair distribution functions, the bond lengths and the coordination numbers within the first coordination shell of Si and Ge atoms. Our structural models account for the experimentally derived mass densities regardless of the Ge distribution pattern. They also account for the intense small-angle X-ray scattering observed for some amorphous silicon-germanium samples. The short-range compositional disorder, reflected in the bond lengths and the coordination numbers within the first coordination shell of Ge atoms, is found to be very sensitive to how these atoms are arranged in the alloys.     

Structure of ultraphosphate glasses with small rare-earth ions by X-ray diffraction

Rare-earth ultraphosphate glasses with nominal R₂O₃ fractions of 10 and 15 mol% and small ionic radius (large atomic number) R³⁺ ions (R = Tb, Tm, Lu) are measured by X-ray diffraction at a synchrotron with photons of 119 keV (maximum scattering vector 260 nm^− 1). The total correlation functions T(r) show well-resolved R-O and O-O first-neighbor peaks. In contrast to all ultraphosphate RP₅O₁₄ crystals and the ultraphosphate glasses of larger R³⁺ ions, where RO₈ polyhedra (mean R-O coordination numbers of ~ 8 for the glasses) are observed, the R³⁺ ions in glasses with R = Lu, Tm, Tb have mean R-O coordination numbers of ~ 7.5. The R-O first-neighbor peaks extracted from the T(r) functions are compared with those obtained from atomic coordinates of related RP₅O₁₄ and RP₃O₉ crystals. The R-O distances of the ultraphosphate glasses studied are found to fall between those of the two crystals but with tails to the side of longer bonds.     

Dielectric measurements,X-ray diffraction and raman studies of mixed caesium-ammonium mercury chloride: Cs0.7(NH4)0.3HgCl3

Measurements of the dielectric constants have revealed a transition at T=449K in Cs_0.7(NH₄)_0.3HgCl₃. This transition was confirmed by X-ray diffraction and Raman scattering on polycrystalline samples. The room-temperature phase is ordered and exhibits trigonal symmetry (space group P3₂ with the unit cell dimensions a = 13.295(11) Å; c = 9.419(8) Å). Transport properties in this material appear to be due to the high mobility of NH⁺ ₄ andCs⁺.     

Recent advances in understanding the origin of martensite aging phenomena in shape memory alloys

The martensite aging phenomena (martensite stabilization and rubber-like behavior) found in many shape memory alloys have puzzled material scientists for over 60 years without a definite answer. In this article we critically reviewed previous models to understand the aging phenomena, which include pseudotwin-type model, LRO model, SRO model, twinning dislocation model, and domain (twin) boundary pinning model. We showed that these models failed to meet generality criterion, although being able to explain the phenomena to some extent. Then we focused on a very recent general model (Ren and Otsuka, Nature, 389, 579–582, 1997) which makes use of only two common features of martensitic transformation and aging, i.e., diffusionless symmetry change during martensitic transformation and diffusion during aging. This model appears to be able to explain all of the available experimental observations on the aging phenomena. In view of recent development in this field, we have reason to believe that we are approaching the final solution to the aging problem.     

Shape recovery mechanism observed in single crystals of Cu–Al–Ni shape memory alloy

Micromechanism of the shape recovery process is optically observed in single crystals of the Cu–Al–Ni shape memory alloy. Formation of X and λ-interfaces (interfacial microstructures with two intersecting habit planes) is documented, both in a thermal gradient and during a homogeneous heating. The observed growth mechanisms (i.e. mechanisms of nucleation and growth of the twinned structures) are described and analysed. Weakly non-classical boundaries between austenite and two crossing twinning systems are also documented.     

Measurement of the Stark Broadening of Atomic Emission Lines in Non–Optically Thin Plasmas by Laser‐Induced Breakdown Spectroscopy

We propose a new method for determining the Stark broadening of atomic emission lines using laser‐induced breakdown spectroscopy. The method allows the determination of the Stark broadening in non–optically thin plasmas, through the introduction of a correction for self‐absorption. Couples of lines of the same species are considered. If one of the Stark broadenings is known, the determination of the other does not require the measurement of the electron density of the plasma. Examples are given for the application of the proposed method to the measurement of the Stark broadening of several aluminum emission lines (Al I at 308.2 nm, Al I at 394.4 nm, and Al I at 396.2 nm).     

Density functional study of Bi2Te3 and Bi4Te6 molecules

Results of a density functional study for the molecules Bi₂Te₃ and Bi₄Te₆ are reported here. For Bi₂Te₃, calculations yield eight stable conformations. For Bi₄Te₆, eight stable isomers are identified. Equilibrium geometries, adiabatic ionisation potentials, atomisation energies, and vibrational bands are estimated. The lowest energy conformations in both cases are clusters of C_s symmetry with all Te atoms two-fold coordinated and all Bi atoms three-fold coordinated. The predicted low energy conformation for Bi₄Te₆ has alternating rows of Bi and Te atoms. This molecule seems a reasonable precursor to solid bismuth telluride, which has alternating Bi and Te layers.     

Impact of iron composition on the calculated electronic and magnetic properties of Fe3−xNixSi

ABSTRACT

The structural, electronic and magnetic properties of Fe_3?xNi_xSi alloys with variable iron composition (0?≤?x?≤?1) have been investigated within by using Projector augmented wave (PAW) method. The exchange–correlation potential was treated with the generalised gradient approximation (GGA) for the calculation of the structural properties and for the computation of the electronic and magnetic properties in order to treat the d states. These alloys crystallize in cubic Heusler structures; The Fe₃Si and Fe₂NiSi have a regular structure DO₃ and L2₁ respectively. To describe the experimental proprieties we use the on-site Coulomb interactions of U_eff(Ni)?=?3.1?eV and U_eff(Fe)?=?3.4?eV. A good agreement between calculated and experimental magnetic moments is found for the cubic Heusler phases without the addition of Hubbard-model. The obtained results of the density of states and the spin-polarized band structure show that the Fe₂NiSi alloy has half-metallic property. Through the obtained values of the total spin magnetic moment, we conclude that in general, the Fe₂NiSi alloy is half-metallic ferromagnet material whereas the Fe₃Si alloy has a metallic nature.