Magnetization-steps in Y2CoMnO6 double perovskite: The role of antisite disorder

Antisite disorder is observed to have significant impact on the magnetic properties of the double perovskite Y2CoMnO6 which has been recently identified as a multiferroic. A paramagnetic-ferromagnetic phase transition occurs in this material at T-c approximate to 75 K. At 2K, it displays a strong ferromagnetic hysteresis with a significant coercive field of H-c approximate to 15 kOe. Sharp steps are observed in the hysteresis curves recorded below 8K. In the temperature range 2K <= T <= 5K, the hysteresis loops are anomalous as the virgin curve lies outside the main loop. The field-cooling conditions as well as the rate of field-sweep are found to influence the steps. Quantitative analysis of the neutron diffraction data shows that at room temperature, Y2CoMnO6 consists of 62% of monoclinic P2(1)/n with nearly 70% antisite disorder and 38% Pnma. The bond valence sums indicate the presence of other valence states for Co and Mn which arise from disorder. We explain the origin of steps by using a model for pinning of magnetization at the antiphase boundaries created by antisite disorder. The steps in magnetization closely resemble the martensitic transformations found in intermetallics and display first-order characteristics as revealed in the Arrott's plots. (C) 2014 AIP Publishing LLC.

Modelling ternary effects on antiphase boundary energy of Ni3Al

The shearing of ordered gamma' precipitates by matrix dislocations results in the formation of antiphase boundaries (APB) in Ni-base superalloys. The APB energy is an important source of order-strengthening in disk and blade alloys where Ti and Ta substitute for Al in gamma'. While the importance of APB energy is well-acknowledged, the effect of alloying on APB energy is not fully understood. In the present study, the effect of Ti and Ta additions on the {111} and {010} APB energies was probed via electronic structure calculations. Results suggest that at low levels of Ti/Ta, APB energies on either plane increases with alloying. However, at higher Ti/Ta levels, the APB energies decrease with alloying. These trends understood by accounting for nearest neighbour violations about the APB and additionally, invoking the effect of precipitate composition on the energy penalty of the violations. We propose an Environment Dependent Nearest Neighbour Bond (EDNNB) model that predicts APB energies that are in close agreement to calculated values.

Photo induced effects on the optical properties of As20Sb20S60 thin films

The thermally evaporated As20Sb20S60 amorphous film of 800 nm thickness was subjected to light exposure for photo induced studies. The as-prepared and illuminated thin films were studied by X-ray diffraction, Fourier Transform Infrared Spectroscopy and X-ray Photoelectron Spectroscopy and Raman spectroscopy. The optical band gap was reduced due to photo induced effects along with the increase in disorder. These optical properties changes are due to the change of homopolar bond densities. The core level peak shifting in XPS spectra and Raman shift supports the optical changes happening in the film due to light exposure.

Stability analysis of thick piezoelectric metal based FGM plate using first order and higher order shear deformation theory

This paper presents the stability analysis of functionally graded plate integrated with piezoelectric actuator and sensor at the top and bottom face, subjected to electrical and mechanical loading. The finite element formulation is based on first order and higher order shear deformation theory, degenerated shell element, von-Karman hypothesis and piezoelectric effect. The equation for static analysis is derived by using the minimum energy principle and solutions for critical buckling load is obtained by solving eigenvalue problem. The material properties of the functionally graded plate are assumed to be graded along the thickness direction according to simple power law function. Two types of boundary conditions are used, such as SSSS (simply supported) and CSCS (simply supported along two opposite side perpendicular to the direction of compression and clamped along the other two sides). Sensor voltage is calculated using present analysis for various power law indices and FG (functionally graded) material gradations. The stability analysis of piezoelectric FG plate is carried out to present the effects of power law index, material variations, applied mechanical pressure and piezo effect on buckling and stability characteristics of FG plate.

Asymptotic behavior and interpretation of virtual states: The effects of confinement and of basis sets

A real-space high order finite difference method is used to analyze the effect of spherical domain size on the Hartree-Fock (and density functional theory) virtual eigenstates. We show the domain size dependence of both positive and negative virtual eigenvalues of the Hartree-Fock equations for small molecules. We demonstrate that positive states behave like a particle in spherical well and show how they approach zero. For the negative eigenstates, we show that large domains are needed to get the correct eigenvalues. We compare our results to those of Gaussian basis sets and draw some conclusions for real-space, basis-sets, and plane-waves calculations. (C) 2016 AIP Publishing LLC.

Design and Validation of On-chip Planar Mixer Based on Advection and Viscoelastic Effects

Mixing at low Reynolds number is usually due to diffusion and requires longer channel lengths for complete mixing. In order to reduce the mixing lengths, advective flow can be induced by varying the channel geometry. Additionally, in non-newtonian fluids, appropriate modifications to channel geometry can be used to aid the mixing process by capitalizing on their viscoelastic nature. Here we have exploited the advection and viscoelastic effects to implement a planar passive micro-mixer. Microfluidic devices incorporating different blend of mixing geometries were conceived. The optimum design was chosen based on the results of the numerical simulations performed in COMSOL. The chosen design had sudden expansion and contraction along with teeth patterns along the channel walls to improve mixing. Mixing of two different dyes was performed to validate the mixing efficiency. Particle dispersion experiments were also carried out. The results indicated effective mixing. In addition, the same design was also found to be compatible with electrical power free pumping mechanism like suction. The proposed design was then used to carry out on-chip chemical cell lysis with human whole blood samples to establish its use with non-newtonian fluids. Complete lysis of the erythrocytes was observed leaving behind the white blood cells at the outlet.

Investigation of the Mechanical Properties of Thin Films by Nanoindentation, Considering the Effects of Thickness and Different Coating-Substrate Combinations

In order to further investigate nanoindentation data of film-substrate systems and to learn more about the mechanical properties of nanometer film-substrate systems, two kinds of films on different substrate systems have been tested with a systematic variation in film thickness and substrate characteristics. The two kinds of films are aluminum and tungsten, which have been sputtered on to glass and silicon substrates, respectively. Indentation experiments were performed with a Nano Indent XP II with indenter displacements typically about two times the nominal film thicknesses. The resulting data are analyzed in terms of load-displacement curves and various comparative parameters, such as hardness, Young's modulus, unloading stiffness and elastic recovery. Hardness and Young's modulus are investigated when the substrate effects are considered. The results show how the composite hardness and Young's modulus are different for different substrates, different films and different film thicknesses. An assumption of constant Young's modulus is used for the film-substrate system, in which the film and substrate have similar Young's moduli. Composite hardness obtained by the Joslin and Oliver method is compared with the directly measured hardness obtained by the Oliver and Pharr method.

Mechanical effects of the self-organization of dislocations and related critical characteristics

The effects of the dislocation pattern formed due to the self-organization of the dislocations in crystals on the macroscopic hardening and dynamic internal friction (DIF) during deformation are studied. The classic dislocation models for the hardening and DIF corresponding to the homogeneous dislocation configuration are extended to the case for the non-homogeneous one. In addition, using the result of dislocation patterning deduced from the non-linear dlislocation dynamics model for single slip, the correlation between the dislocation pattern and hardening as well as DIF is obtained. It is shown that in the case of the tension with a constant strain rate, the bifurcation point of dislocation patterning corresponds to the turning point in the stress versus strain and DIF versus strain curves. This result along with the critical characteristics of the macroscopic behavior near the bifurcation point is microscopically and macroscopically in agreement with the experimental findings on mono-crystalline pure aluminum at temperatures around 0.5T(m). The present study suggests that measuring the DIF would be a sensitive and useful mechanical means in order to study the critical phenomenon of materials during deformation.

Effects Analysis on the Mechanical Properties of Nanocrystalline Materials

Nanocrystalline materials are characterized by a typical grain size from 1 to 100nm. In order to study the nanocrystalline properties of nanocrystalline materials, we chose nanocrystalline coppers as the research object. The uniaxial tensile deformation of computer produced nanocrystalline coppers is simulated by using molecular dynamics with Finnis-Sinclair potential. The mean grain size of simulated nanocrystalline coppers is varied within the 5.38 to 1.79 nm range. The strength, Young's modulus and stress-strain are strongly depended on the grain size and nanocrystalline structure. The simulated nanocrystalline coppers show a reverse Hall-Petch effect.

Experimental and micromechanical study of size effects in the constrained deformation of metallic foams

Previous investigations have unveiled size effects in the strength of metallic foams under simple shear - the shear strength increases with diminishing specimen size, a phenomena similar to that shown by Fleck et al. (Acta Mat., 1994, Vol. 42, p. 475.) on the torsion tests of copper wires of various radii. In this study, experimental study of the constrained deformation of a foam layer sandwiched between two steel plates has been conducted. The sandwiched plates are subjected to combined shear and normal loading. It is found that measured yield loci of metallic foams in the normal and shear stress space corresponding to various foam layer thicknesses are self-similar in shape but their size increases as the foam layer thickness decreases. Moreover, the strains profiles across the foam layer thickness are parabolic instead of uniform; their values increase from the interfaces between the foam layer and the steel plates and reach their maximum in the middle of the foam layer, yielding boundary layers adjacent to the steel plates. In order to further explore the origin of observed size effects, micromechanics models have been developed, with the foam layer represented by regular and irregular honeycombs. Though the regular honeycomb model is seen to underestimate the size effects, the irregular honeycomb model faithfully captures the observed features of the constrained deformation of metallic foams.

Mode I and Mode II Crack Tip Asymptotic Fields with Strain Gradient Effects

The strain gradient effect becomes significant when the size of fracture process zone around a crack tip is comparable to the intrinsic material length l, typically of the order of microns. Using the new strain gradient deformation theory given by Chen and Wang, the asymptotic fields near a crack tip in an elastic-plastic material with strain gradient effects are investigated. It is established that the dominant strain field is irrotational. For mode I plane stress crack tip asymptotic field, the stress asymptotic field and the couple stress asymptotic field can not exist simultaneously. In the stress dominated asymptotic field, the angular distributions of stresses are consistent with the classical plane stress HRR field; In the couple stress dominated asymptotic field, the angular distributions of couple stresses are consistent with that obtained by Huang et al. For mode II plane stress and plane strain crack tip asymptotic fields, only the stress-dominated asymptotic fields exist. The couple stress asymptotic field is less singular than the stress asymptotic fields. The stress asymptotic fields are the same as mode II plane stress and plane strain HRR fields, respectively. The increase in stresses is not observed in strain gradient plasticity for mode I and mode II, because the present theory is based only on the rotational gradient of deformation and the crack tip asymptotic fields are irrotational and dominated by the stretching gradient.

Damage of a high-energy solid propellant and its effects on combustion

In order to improve the safety of high-energy solid propellants, a study is carried out for the effects of damage on the combustion of the NEPE (Nitrate Ester Plasticized Polyether) propellant. The study includes: (1) to introduce damage into the propellants by means of a large-scale drop-weight apparatus; (2) to observe microstructural variations of the propellant with a scanning electron microscope (SEM) and then to characterize the damage with density measurements; (3) to investigate thermal decomposition; (4) to carry out closed-bomb tests. The NEPE propellant can be considered as a viscoelastic material. The matrices of damaged samples axe severely degraded, but the particles are not. The results of the thermal decomposition and closed-bomb tests show that the microstructural damage in the propellant affects its decomposition and burn rate.

Size Effects in Micro-bending Deformation of MEMS Devices Based on the Discrete Dislocation Theory

In the present research, the discrete dislocation theory is used to analyze the size effect phenomena for the MEMS devices undergoing micro-bending load. A consistent result with the experimental one in literature is obtained. In order to check the effectiveness to use the discrete dislocation theory in predicting the size effect, both the basic version theory and the updated one are adopted simultaneously. The normalized stress-strain relations of the material are obtained for different plate thickness or for different obstacle density. The prediction results are compared with experimental results.

Particulate Size Effects in the Particle-Reinforced Metal-Matrix Composites

The influences of I,article size on the mechanical properties of the particulate metal matrix composite;are obviously displayed in the experimental observations. However, the phenomenon can not be predicted directly using the conventional elastic-plastic theory. It is because that no length scale parameters are involved in the conventional theory. In the present research, using the strain gradient plasticity theory, a systematic research of the particle size effect in the particulate metal matrix composite is carried out. The roles of many composite factors, such as: the particle size, the Young's modulus of the particle, the particle aspect ratio and volume fraction, as well as the plastic strain hardening exponent of the matrix material, are studied in detail. In order to obtain a general understanding for the composite behavior, two kinds of particle shapes, ellipsoid and cylinder, are considered to check the strength dependence of the smooth or non-smooth particle surface. Finally, the prediction results will be applied to the several experiments about the ceramic particle-reinforced metal-matrix composites. The material length scale parameter is predicted.

Effects Of The Length Of A Cylindrical Solid Shield On The Entrainment Of Ambient Air Into Turbulent And Laminar Impinging Argon Plasma Jets

When materials processing is conducted in air surroundings by use of an impinging plasma jet, the ambient air will be entrained into the materials processing region, resulting in unfavorable oxidation of the feedstock metal particles injected into the plasma jet and of metallic substrate material. Using a cylindrical solid shield may avoid the air entrainment if the shield length is suitably selected and this approach has the merit that expensive vacuum chamber and its pumping system are not needed. Modeling study is thus conducted to reveal how the length of the cylindrical solid shield affects the ambient air entrainment when materials processing (spraying, remelting, hardening, etc.) is conducted by use of a turbulent or laminar argon plasma jet impinging normally upon a flat substrate in atmospheric air. It is shown that the mass flow rate of the ambient air entrained into the impinging plasma jet cannot be appreciably reduced unless the cylindrical shield is long enough. In order to completely avoid the air entrainment, the gap between the downstream-end section of the cylindrical solid shield and the substrate surface must be carefully selected, and the suitable size of the gap for the turbulent plasma jet is appreciably larger than that for the laminar one. The overheating of the solid shield or the substrate could become a problem for the turbulent case, and thus additional cooling measure may be needed when the entrainment of ambient air into the turbulent impinging plasma jet is to be completely avoided.