Structural evolution during crystal nucleation in supercooled liquids with icosahedral short-range order

The structural evolution during crystal nucleation in supercooled Lennard–Jones liquids at a supercooling of 0.3T _m (T _m is the melting temperature) has been studied by molecular dynamic simulations. The icosahedral clusters are observed to compete with crystalline clusters in space, and rearrange before crystal nucleation. Both the stable face-centered-cubic and hexagonal-close-packed (hcp) structures and metastable body-centered-cubic (bcc) structures nucleate simultaneously, resulting in the formation of an incomplete bcc meso-layer in the nuclei. The nuclei form twinned crystal with five-fold axes through a successive twinning process bounded by planes with hcp atoms.     

High-resolution electron microscopy observations of microplastic fracture in SiC under ball milling at room temperature

Nanometre-sized kinks and cracks formed in 6H SiC under ball milling (BM) at room temperature have been observed and characterized on the atomic scale using high-resolution electron microscopy (HREM). Observations of the kinks show that numerous positive and negative partials are aligned at either of the kink boundaries, and the stacking sequences in the kink band are considerably different from those in the other areas. It was also observed that the (0001) lattice planes in the kink band are kinked, indicating that microplasticity occurs in the normally brittle material SiC under BM even at room temperature. HREM observations of cracks show that cracks previously observed by transmision electron microscopy are not completely open but are at the initiation stage of fracture. Inside a crack, one residual kink region can be clearly observed, which indicates a correlation between kink and crack, that is a crack evolves from a kink.     

First-principles investigation of bowing parameter in zinc-blende ScxGa1−xN

Helium generated in materials by the nuclear reaction (n,?α) is generally considered to be harmful. It is well-known that helium prompts not only the nucleation of interstitial-type dislocation loops, but also the nucleation of voids in metals and alloys irradiated with high-energy particles, which degrades their mechanical properties. In this study, however, we find that helium trapped by dislocations in Ni increases both the ultimate tensile strength and total elongation.     

On the orientation relationship between a2 precipitates and the B2 phase in a Ti-47at.%Al-2at.%W-0.5at.%Si alloy

An k -phase Mn-Al-C single crystal was grown and annealed to obtain an intermediate stage of the k M transformation. The crystal was analysed by transmission electron microscopy, and direct evidence for the operation of the shear mode was obtained. The transformation occurs in two steps from the hcp structure ( k ) over the orthorhombic structure ( k ' phase) to the tetragonal phase. The study reveals the morphologies of k ' and , the necessity for reordering during the second transformation step ( k ' M ) which is not a purely martensitic transformation, and the selection of variants which is controlled by stresses through the selection of one k ' variant.     

Formation of ductile Al-based metallic glasses without rare-earth elements

Al₇₅Cu₁₇Mg₈ is a eutectic composition according to the ternary phase diagram, which can be quenched into a fully amorphous phase by adding 2-8at.% Ni, but the addition of a similar percentage of Gd failed to form the amorphous phase. The amorphous alloys obtained exhibit two broad diffuse peaks in the X-ray diffraction curves and, correspondingly, two halo rings in the electron diffraction patterns, implying that two types of local atom configuration exist. Thermal analysis of the amorphous alloys indicates that the primary crystallization peak shifts to higher temperatures with increasing Ni content. The occurrence of a nucleation and crystal growth peak during isothermal crystallization reveals the amorphous nature of the quenched ribbon alloys. The quenched amorphous ribbons do not break after bending by 180°. Mechanical testing yielded a tensile strength of 810MPa for (Al₇₅Cu₁₇Mg₈)₉₅Ni₅, and a vein structure, characteristic of amorphous fracture, is apparent in scanning electron micrographs. The different effects of Ni and Gd on the glass formation indicate that the large atomic size of Gd is not critical to the glass formation.     

Valence band structure of the NiAl–Mo alloy from the photoelectron spectrum

The valence band structures of the NiAl–Mo alloy was investigated by photoelectron spectroscopy. The valence band spectra of the NiAl–Mo alloy was shifted away from the Fermi level so that the Ni-d-band centroid moved to a higher energy by 0.22 eV as Mo was added. A possible explanation lied in the overlap of Ni-d bands in the energy with Mo-d and Al-p bands. The participation of Mo-d bands was correlated with the site preference of Mo in NiAl alloys.     

Structural phase transitions in epitaxial SrRuO3 thin films

The microstructural evolution of epitaxial SrRuO₃ thin films from ambient temperature (about 293K) to about 900K has been studied by in-situ transmission electron microscopy. Upon heating from the ambient temperature, the intensities of h, k, 2n+1 and h, -h+2n+1, 0 reflections in selected-area electron diffraction patterns decrease with increasing temperature. Two structural phase transitions were observed at about 673and about 783K, revealed by the vanishing of the h, k, 2n+1 and h,-h+2n+1, 0 reflections respectively. The examination of electron diffraction patterns along several different zone axes, taking into account the possible tilting configurations of RuO₆ octahedra, indicates that, upon heating, the orthorhombic structure of SrRuO₃ transforms into a tetragonal structure at about 673K, and further transforms into a cubic structure at about 783K. Possible structural models for the high-temperature phases are considered.     

Calculation of the phonon dispersion curves for b.c.c. transition metals using the Finnis-Sinclair potentials

Abstract

The phonon dispersion curves for body-centred cubic transition metals are calculated using Finnis-Sinclair potentials. The accuracy of results obtained for metals of the VIa and Va groups is commented on.     

Investigation of the interaction of He and D in FeBSi alloy

He and H can be produced by nuclear reaction. In addition, energetic particles of He and T and D, which are isotopes of H, in the plasma of fusion reactor induce the damage in the surface of materials, such as erosion, sputtering and blistering. To investigate the interaction of He and D, amorphous and crystalline FeBSi alloys were irradiated by He or D₂ or He?+?D₂ ions with 5?keV. The results of thermal desorption indicated that more He atoms were trapped in both the amorphous and crystalline alloy irradiated by He ions than D atoms in those alloys irradiated by D₂ ions. Although He and D atoms were trapped in FeBSi alloy irradiated by He?+?D₂ ions, desorption peaks of D₂ and He were separated. Absorption of D in an amorphous alloy was influenced by the presence of He; however, absorption of He was independent of D₂ irradiation in both alloys.     

Local translational order in the icosahedral quasicrystalline phase of V41Ni36Si23

Abstract

The local translational order of the icosahedral quasicrystalline phase in rapidly solidified V₄₁Ni₃₆Si₂₃ has been investigated by means of selected-area electron diffraction and high-resolution electron microscopy. Experimental results show that translational order always occurs in the twofold direction and can be observed when the quasicrystal is examined along its fivefold and threefold as well as twofold axes. Sometimes it occurs in two or three coplanar twofold directions simultaneously. In these cases some crystalline islands exist in the icosahedral quasicrystal and this corresponds to the initial stage of transformation from a quasicrystal to the stable crystalline phase.