Experimental study of fracture behavior of magnesium single crystals

In this work, the fracture behavior of magnesium single crystals is studied by conducting experiments with notched three point bend specimens of three crystallographic orientations. In the first and second orientations, the c-axis is along the normal to the flat surface of the notch, while in the third it is aligned with the notch front. For all the orientations, in situ electron back scattered diffraction observations made around the notch root show profuse tensile twinning of {10 (1) over bar2} type. Further, in the first two orientations basal and prismatic slip traces are identified from optical metallography. The width of the most prominent twin saturates at around 120-150 mu m, while twins continue to nucleate farther away to accommodate plastic deformation. In all the orientations, crack initiation occurs before the attainment of peak load and the crack grows stably along twin-matrix interface before deflecting at twin-twin intersections. Results show that profuse tensile twinning is an important energy dissipating mechanism that enhances the fracture toughness. (C) 2013 Elsevier B.V. All rights reserved.

Micropillar and macropillar compression responses of magnesium single crystals oriented for single slip or extension twinning

Uniaxial compression experiments were conducted on two magnesium (Mg) single crystals whose crystallographic orientations facilitate the deformation either by basal slip or by extension twinning. Specimen size effects were examined by conducting experiments on mu m- and mm-sized samples. A marked specimen size effect was noticed, with micropillars exhibiting significantly higher flow stress than bulk samples. Further, it is observed that the twin nucleation stress exerts strong size dependence, with micropillars requiring substantially higher stress than the bulk samples. The flow curves obtained on the bulk samples are smooth whereas those obtained from micropillars exhibit intermittent and precipitous stress drops. Electron backscattered diffraction and microstructural analyses of the deformed samples reveal that the plastic deformation in basal slip oriented crystals occurs only by slip while twin oriented crystals deform by both slip and twinning modes. The twin oriented crystals exhibit a higher strain hardening during plastic deformation when compared to the single slip oriented crystals. The strain hardening rate, theta, of twin oriented crystals is considerably greater in micropillars compared to the bulk single crystals, suggesting the prevalence of different work hardening mechanisms at these different sample sizes. (C) 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Evaluation of the intrinsic magneto-dielectric coupling in LaMn0.5Co0.5O3 single crystals

The magneto-dielectric coupling in (l00) oriented LaMn0.5Co0.5O3 single crystals has been investigated using temperature, frequency, and magnetic field dependent dielectric response. Electronic transport data divulges that polaronic hopping arises due to Emin-Holstein adiabatic small polarons. Spin realignment through external magnetic field favors faster polaronic hopping by lowering activation energy for dielectric relaxation. Finally, positive magneto-dielectricity and magnetoloss under increasing magnetic field at high frequency of the exciting ac field confirms intrinsic magneto-dielectric effect in disordered ferromagnetic-insulator LaMn0.5Co0.5O3. This study also emphasizes the need to use single crystals as well as the frequencies higher than the corresponding inverse relaxation time. (C) 2014 AIP Publishing LLC.

Magnetism and superconductivity in Sb-doped binary and ternary iron chalcogenide single crystals

We report the single crystal growth of antimony doped Fe1+yTe and Fe1+yTe0.5Se0.5 (Fe1+ySbxTe1-x (x=0, 2%, 5%) and Fe1+yTe0.49Se0.49Sb0.02) by a modified horizontal Bridgman method. Growth parameters are optimized to obtain high quality single crystals. The antiferromagnetic (AFM) transition at T-N = 62.2 K which is a first order transition, shifts to lower temperature on doping in Fe1+yTe. Alternately when the chalcogen site of the ternary compound Fe1+yTe0.5Se0.5 is doped with Sb, superconductivity is preserved albeit the superconducting transition temperature (T-C) falls slightly and a concomitant reduction occurs in superconducting volume fraction. (C) 2013 Elsevier B.V. All rights reserved,

Octahedral distortion induced magnetic anomalies in LaMn0.5Co0.5O3 single crystals

Single crystals of LaMn0.5Co0.5O3 belonging to the ferromagnetic-insulator and distorted perovskite class were grown using a four-mirror optical float zone furnace. The as-grown crystal crystallizes into an orthorhombic Pbnm structure. The spatially resolved 2D Raman scan reveals a strain-induced distribution of transition metal (TM)-oxygen (O) octahedral deformation in the as-grown crystal. A rigorous annealing process releases the strain, thereby generating homogeneous octahedral distortion. The octahedra tilt by reducing the bond angle TM-O-TM, resulting in a decline of the exchange energy in the annealed crystal. The critical behavior is investigated from the bulk magnetization. It is found that the ground state magnetic behavior assigned to the strain-free LaMn0.5Co0.5O3 crystal is of the 3D Heisenberg kind. Strain induces mean field-like interaction in some sites, and consequently, the critical exponents deviate from the 3D Heisenberg class in the as-grown crystal. The temperature-dependent Raman scattering study reveals strong spin-phonon coupling and the existence of two magnetic ground states in the same crystal. (C) 2014 AIP Publishing LLC.

Finite element simulations of notch tip fields in magnesium single crystals

Recent experiments using three point bend specimens of Mg single crystals have revealed that tensile twins of {10 (1) over bar2}-type form profusely near a notch tip and enhance the fracture toughness through large plastic dissipation. In this work, 3D finite element simulations of these experiments are carried out using a crystal plasticity framework which includes slip and twinning to gain insights on the mechanics of fracture. The predicted load-displacement curves, slip and tensile twinning activities from finite element analysis corroborate well with the experimental observations. The numerical results are used to explore the 3D nature of the crack tip stress, plastic slip and twin volume fraction distributions near the notch root. The occurrence of tensile twinning is rationalized from the variation of normal stress ahead of the notch tip. Further, deflection of the crack path at twin-twin intersections observed in the experiments is examined from an energy standpoint by modeling discrete twins close to the notch root.

Low temperature giant magnetocaloric effect in multiferroic GdMnO3 single crystals

Magnetocaloric (MC) properties of GdMnO3 single crystals are investigated using magnetic and magneto-thermal measurements. GdMnO3 exhibits a giant MC effect (isothermal change in magnetic entropy (-Delta S-M) similar to 31 J (kg K)(-1) at 7 K and adiabatic change in temperature similar to 10 K at 19 K for magnetic field variation 0-80 kOe). Complex interactions between 3d and 4f magnetic sublattices influence MC properties. The rare-earth antiferromagnetic ordering induces an inverse MC effect (positive Delta S-M) along `a' and `c' axes whereas it's not seen along the `b' axis, revealing complex anisotropic magnetic ordering. The antiferromagnetic ordering possibly changes to ferromagnetic ordering at higher fields.

Microhardness Studies of Vapour Grown Tin (II) Sulfide Single Crystals

Earth abundant tin sulfide (SnS) has attracted considerable attention as a possible absorber material for low-cost solar cells due to its favourable optoelectronic properties. Single crystals of SnS were grown by physical vapour deposition (PVD) technique. Microindentation studies were carried out on the cleaved surfaces of the crystals to understand their mechanical behaviour. Microhardness increased initially with the load, giving sharp maximum at 15 g. Quenching effect has increased the microhardness, while annealing reduced the microhardness of grown crystals. The hardness values of as-grown, annealed and quenched samples at 15 g load are computed to be 99.69, 44.52 and 106.29 kg/mm(2) respectively. The microhardness of PVD grown crystals are high compared to CdTe, a leading low-cost PV material. The as-grown faces are found to be fracture resistant.

Anomalous re-entrant glassy magnetic phase in LaMn0.5Co0.5O3 single crystals

We report an anomalous re-entrant glassy magnetic phase in (l00) oriented ferromagnetic LaMn0.5Co0.5O3 single crystals. The characterization is fortified with conventional magnetometry, like linear as-well-as non-linear ac susceptibility and specific heat. As the sample is cooled below the ferromagnetic transition temperature, it reenters a glassy magnetic phase whose dynamics have little resemblance with the conventional response. The glassy transition shifts to a higher temperature with increasing frequency of the applied ac field. But it does not respond to the dc biasing or memory experiment. Specific heat as well as non-linear ac susceptibility data also do not relate to the conventional glassy response. Unusually low magnetic entropy indicates the lack of long range magnetic ordering. The results demonstrate that the glassy phase in LaMn0.5Co0.5O3 is not due to any of the known conventional origins. We infer that the competing ferromagnetic and antiferromagnetic interaction due to high B-site disorder is responsible for this anomalous re-entrant glassy phase. (C) 2016 AIP Publishing LLC.

Anomalous re-entrant glassy magnetic phase in LaMn0.5Co0.5O3 single crystals

We report an anomalous re-entrant glassy magnetic phase in (l00) oriented ferromagnetic LaMn0.5Co0.5O3 single crystals. The characterization is fortified with conventional magnetometry, like linear as-well-as non-linear ac susceptibility and specific heat. As the sample is cooled below the ferromagnetic transition temperature, it reenters a glassy magnetic phase whose dynamics have little resemblance with the conventional response. The glassy transition shifts to a higher temperature with increasing frequency of the applied ac field. But it does not respond to the dc biasing or memory experiment. Specific heat as well as non-linear ac susceptibility data also do not relate to the conventional glassy response. Unusually low magnetic entropy indicates the lack of long range magnetic ordering. The results demonstrate that the glassy phase in LaMn0.5Co0.5O3 is not due to any of the known conventional origins. We infer that the competing ferromagnetic and antiferromagnetic interaction due to high B-site disorder is responsible for this anomalous re-entrant glassy phase. (C) 2016 AIP Publishing LLC.

Growth of bulk single crystals beta-FeSi2 by chemical vapour deposition

Bulk single crystals b-FeSi2, as a new photoelectric and thermoelectric material, has been successfully grown using chemical vapor transport technique by using iodine as transport agent in a sealed ampoule. The effects of crystal growth condition on quality and morphologies of the single crystals were studied. Both needle-like and grain-like single crystals were gained. By changing substrate temperature, tetrahedral high quality a-FeSi2 single crystals were also obtained.

Thermoelastic Stresses in SiC Single Crystals Grown by the Physical Vapor Transport Method

A finite element-based thermoelastic anisotropic stress model for hexagonal silicon carbide polytype is developed for the calculation of thermal stresses in SiC crystals grown by the physical vapor transport method. The composite structure of the growing SiC crystal and graphite lid is considered in the model. The thermal expansion match between the crucible lid and SiC crystal is studied for the first time. The influence of thermal stress on the dislocation density and crystal quality is discussed.

Modeling Ammonothermal Growth of GaN Single Crystals: The Role of Transport

Single crystal gallium nitride (GaN) is an important technological material used primarily for the manufacture of blue light lasers. An important area of contemporary research is developing a viable growth technique. The ammonothermal technique is an important candidate among many others with promise of commercially viable growth rates and material quality. The GaN growth rates are a complicated function of dissolution kinetics, transport by thermal convection and crystallization kinetics. A complete modeling effort for the growth would involve modeling each of these phenomena and also the coupling between these. As a first step, the crystallization and dissolution kinetics were idealized and the growth rates as determined purely by transport were investigated. The growth rates thus obtained were termed ‘transport determined growth rates’ and in principle are the maximum growth rates that can be obtained for a given configuration of the system. Using this concept, a parametric study was conducted primarily on the geometric and the thermal boundary conditions of the system to optimize the ‘transport determined growth rate’ and determine conditions when transport might be a bottleneck.

The inhomogeneity of plastic-deformation in ductile single-crystals

A discrete slip model which characterizes the inhomogeneity of material properties in ductile single crystals is proposed in this paper. Based on this model rate-dependent finite element investigations are carried out which consider the finite deformation, finite rotation, latent hardening effect and elastic anisotropy. The calculation clearly exhibits the process from microscopic inhomogeneous and localized deformation to necking and the formation of LSBS and reveals several important features of shear localization. For example, the inhomogeneous deformation is influenced by the imperfections and initial non-uniformities of material properties. The inhomogeneous deformation may either induce necking which results in the lattice rotation and leads to geometrical softening, which in turn promotes the formation of CSBS, or induces heavily localized deformation. The microscopic localized deformation eventually develops into the LSBS and results in a failure. These results are in close agreement with experiment. Our calculations also find that the slip lines on the specimen's surface at necking become curved and also find that if the necking occurs before the formation of LSBS, this band must be misoriented from the operative slip systems. In this case, the formation of LSBS must involve non-crystallographic effects. These can also be indirectly confirmed by experiment. All these suggest that our present discrete slip model offers a correct description of the inhomogeneous deformation characterization in ductile crystals.