Role of convection in microstructure evolution during solidification

In this study, we present a new computational approach for studying the effect of melt convection on solidification at the micro-scale level. Models for dendritic and eutectic growth are developed on the basis of the enthalpy technique and incorporate the presence of flow in the domain. Simulation results show the growth and motion of dendrites and evolution of eutectic lamellae and their interaction with melt flow. The present study provides the foundation for development of an efficient generalized micro-scale solidification model, which can potentially be coupled with system-scale models based on the same framework.

Analysis of grating inscribed micro-cantilever for high resolution AFM probe

We present a mathematical modelling and analysis of reflection grating etched Si AFM cantilever deflections under different loading conditions. A simple analysis of the effect of grating structures on cantilever deflection is carried out with emphasis on optimizing the beam and gratings such that maximum amount of diffracted light remains within the detector area.

Osteoprotective effect of propranolol in ovariectomized rats: a comparison with zoledronic acid and alfacalcidol

Currently beta-adrenergic receptor blockers are considered to be potential drugs under investigation for preventive or therapeutic effect in osteoporosis. However, there is no published data showing the comparative study of beta-blockers with well accepted agents for the treatment of osteoporosis. To address this question, we compared the effects of propranolol with well accepted treatments like zoledronic acid and alfacalcidol in an animal model of postmenopausal osteoporosis. Five days after ovariectomy, 36 ovariectomized (OVX) rats were divided into 6 equal groups, randomized to treatments zoledronic acid (100 mu g/kg, intravenous single dose); alfacalcidol (0.5 mu g/kg, oral gauge daily); propranolol (0.1 mg/kg, subcutaneously 5 days per week) for 12 weeks. Untreated OVX and sham OVX were used as controls. At the end of treatment serum calcium and alkaline phosphatase were assayed. Femurs were removed and tested for bone density, bone porosity, bone mechanical properties and trabecular micro-architecture. Propranolol showed a significant decrease in alkaline phosphatase levels and bone porosity in comparison to OVX control. Moreover, propranolol significantly improved bone density, bone mechanical properties and inhibited the deterioration of trabecular microarchitecture when compared with OVX control. The osteoprotective effect of propranolol was comparable with zoledronic acid and alfacalcidol. Based on this comparative study, the results strongly suggest that propranolol can be a candidate therapeutic drug for the management of postmenopausal osteoporosis.

The Role of Weak Interactions in the Phase Transition and Distinct Mechanical Behavior of Two Structurally Similar Caffeine Co-crystal Polymorphs Studied by Nanoindentation

Although weak interactions, such as C-H center dot center dot center dot O and pi-stacking, are generally considered to be insignificant, it is their reorganization that holds the key for many a solid-state phenomenon, such as phase transitions, plastic deformation, elastic flexibility, and mechanochromic luminescence in solid-state fluorophores. Despite this, the role of weak interactions in these dynamic phenomena is poorly understood. In this study, we investigate two co-crystal polymorphs of caffeine:4-chloro-3-nitrobenzoic acid, which have close structural similarity (2D layered structures), but surprisingly show distinct mechanical behavior. Form I is brittle, but shows shear-induced phase instability and, upon grinding, converts to Form II, which is soft and plastically shearable. This observation is in contrast to those reported in earlier studies on aspirin, wherein the metastable drug forms are softer and convert to stable and harder forms upon stressing To establish a molecular level understanding, have investigated the two co-crystal polymorphs I and II by single crystal X-ray diffraction, nanoindentation to quantify mechanical properties, and theoretical calculations. The lower hardness (from nanoindentation) and smooth potential surfaces (from theoretical studies) for shearing of layers in Form II allowed us to rationalize the role of stronger intralayer (sp(2))C-H center dot center dot center dot O and nonspecific interlayer pi-stacking interactions in the structure of II. Although the Form I also possesses the same type of interactions, its strength is clearly opposite, that is, weaker intralayer (sp(3))C-H center dot center dot center dot O and specific interlayer pi-stacking interactions. Hence, Form I is harder than Form IL Theoretical calculations and indentation on (111) of Form I suggested the low resistance of this face to mechanical stress; thus, Form I converts to II upon mechanical action. Hence, our approach demonstrates the usefulness of multiple techniques for establishing the role of weak noncovalent interactions in solid-state dynamic phenomena, such as stress induced phase transformation, and hence is important in the context of solid-state pharmaceutical chemistry and crystal engineering.

Patterned growth and differentiation of neural cells on polymer derived carbon substrates with micro/nano structures in vitro

The growth of neuroblastoma (N2a) and Schwann cells has been explored on polymer derived carbon substrates of varying micro and nanoscale geometries: resorcinol-formaldehyde (RE) gel derived carbon films and electrospun nanofibrous (similar to 200 nm diameter) mat and SU-8 (a negative photoresist) derived carbon micro-patterns. MTT assay and complementary lactate dehydrogenase (LDH) assay established cytocompatibility of RE derived carbon films and fibers over a period of 6 days in culture. The role of length scale of surface patterns in eliciting lineage-specific adaptive response along, across and on the interspacing between adjacent micropatterns (i.e., ``on'', ``across'' and ``off'') has been assayed. Textural features were found to affect 3',5'-cyclic AMP sodium salt-induced neurite outgrowth, over a wide range of length scales: from similar to 200 nm (carbon fibers) to similar to 60 mu m (carbon patterns). Despite their innate randomness, carbon nanofibers promoted preferential differentiation of N2a cells into neuronal lineage, similar to ordered micro-patterns. Our results, for the first time, conclusively demonstrate the potential of RE-gel and SU-8 derived carbon substrates as nerve tissue engineering platforms for guided proliferation and differentiation of neural cells in vitro. (C) 2013 Elsevier Ltd. All rights reserved.

Simultaneous attitude control and trajectory tracking of a micro quadrotor: a SNAC aided nonlinear dynamic inversion approach

This paper presents an advanced single network adaptive critic (SNAC) aided nonlinear dynamic inversion (NDI) approach for simultaneous attitude control and trajectory tracking of a micro-quadrotor. Control of micro-quadrotors is a challenging problem due to its small size, strong coupling in pitch-yaw-roll and aerodynamic effects that often need to be ignored in the control design process to avoid mathematical complexities. In the proposed SNAC aided NDI approach, the gains of the dynamic inversion design are selected in such a way that the resulting controller behaves closely to a pre-synthesized SNAC controller for the output regulation problem. However, since SNAC is based on optimal control theory, it makes the dynamic inversion controller to operate near optimal and enhances its robustness property as well. More important, it retains two major benefits of dynamic inversion: (i) closed form expression of the controller and (ii) easy scalability to command tracking application even without any apriori knowledge of the reference command. Effectiveness of the proposed controller is demonstrated from six degree-of-freedom simulation studies of a micro-quadrotor. It has also been observed that the proposed SNAC aided NDI approach is more robust to modeling inaccuracies, as compared to the NDI controller designed independently from time domain specifications.

Nanoindentation for probing the mechanical behavior of molecular crystals-a review of the technique and how to use it

Nanoindentation is a technique which can be used to measure the mechanical properties of materials with high precision, even when they are only available in small quantities. As a result of this, nanoindentation has gained the attention of the crystal engineering community, who are not only interested in measuring the properties of single crystals of organic, inorganic and hybrid structures, but also wish to correlate the measured responses with the underlying structural features and intermolecular interactions. Keeping this emerging interest in view, a brief overview of the technique, with particular emphasis on the procedures for conducting experiments and analyzing the resulting data, is presented in this Tutorial style Highlight. The precautions that need to be taken and the properties that one can measure using nanoindentation are highlighted. This paper ends with a brief summary of the recent additional features that have been added to this technique and an outlook for nanoindentation within the context of crystal engineering.

Pr6O11 micro-spherical nano-assemblies: microwave-assisted synthesis, characterization and optical properties

We report the synthesis of Pr6O11 microspheres self-assembled from ultra-small nanocrystals formed by the microwave irradiation of a solution of a salt of Pr in ethylene glycol (EG). The as-prepared product consists of microspheres measuring 200 to 500 nm in diameter and made of <5 nm nano-crystallites. The surface of these microspheres/nanocrystals is covered/capped with an organic layer of ethylene glycol as shown by TEM analysis and confirmed by IR spectroscopy measurements. The as-prepared product shows blue-green emission under excitation, which changes to orange-red when the product is annealed in air at 600 degrees C for 2 h. This change in luminescence behaviour can be attributed to presence of ethylene glycol layer in the as-prepared product. The samples were characterized by X-ray powder diffraction (XRD), field emission scanning electron microscopy (FE-SEM), IR Spectroscopy (IR), transmission electron microscopy (TEM), and thermogravimetric analysis (TGA). (C) 2013 Elsevier B.V. All rights reserved.

Glycidyl azide polymer crosslinked through triazoles by click chemistry: curing, mechanical and thermal properties

Glycidyl azide polymer (GAP) was cured through click chemistry by reaction of the azide group with bispropargyl succinate (BPS) through a 1,3-dipolar cycloaddition reaction to form 1,2,3-triazole network. The properties of GAP-based triazole networks are compared with the urethane cured GAP-systems. The glass transition temperature (T-g), tensile strength, and modulus of the system increased with crosslink density, controlled by the azide to propargyl ratio. The triazole incorporation has a higher T-g in comparison to the GAP-urethane system (T-g-20 degrees C) and the networks exhibit biphasic transitions at 61 and 88 degrees C. The triazole curing was studied using Differential Scanning Calorimetry (DSC) and the related kinetic parameters were helpful for predicting the cure profile at a given temperature. Density functional theory (DFT)-based theoretical calculations implied marginal preference for 1,5-addition over 1,4-addition for the cycloaddition between azide and propargyl group. Thermogravimetic analysis (TG) showed better thermal stability for the GAP-triazole and the mechanism of decomposition was elucidated using pyrolysis GC-MS studies. The higher heat of exothermic decomposition of triazole adduct (418kJmol(-1)) against that of azide (317kJmol(-1)) and better mechanical properties of the GAP-triazole renders it a better propellant binder than the GAP-urethane system.

Physical realizations: transforming into physical embodiments of concepts in the design of mechanical movements

Conceptual design involves identification of required functions of the intended design, generation of concepts to fulfill these functions, and evaluation of these concepts to select the most promising ones for further development. The focus of this paper is the second phase-concept generation, in which a challenge has been to develop possible physical embodiments to offer designers for exploration and evaluation. This paper investigates the issue of how to transform and thus synthesise possible generic physical embodiments and reports an implemented method that could automatically generate these embodiments. In this paper, a method is proposed to transform a variety of possible initial solutions to a design problem into a set of physical solutions that are described in terms of abstraction of mechanical movements. The underlying principle of this method is to make it possible to link common attributes between a specific abstract representation and its possible physical objects. For a given input, this method can produce a set of concepts in terms of their generic physical embodiments. The method can be used to support designers to start with a given input-output function and systematically search for physical objects for design consideration in terms of simplified functional, spatial, and mechanical movement requirements.

Friction Stir-Welded Dissimilar Aluminum Alloys: Microstructure, Mechanical Properties, and Physical State

A356 and 6061 aluminum alloys were joined by friction stir welding at constant tool rotational rate with different tool-traversing speeds. Thermomechanical data of welding showed that increment in tool speed reduced the pseudo heat index and temperature at weld nugget (WN). On the other hand, volume of material within extrusion zone, strain rate, and Zenner Hollomon parameter were reduced with decrease in tool speed. Optical microstructure of WN exhibited nearly uniform dispersion of Si-rich particles, fine grain size of 6061 Al alloy, and disappearance of second phase within 6061 Al alloy. With enhancement in welding speed, matrix grain size became finer, yet size of Si-rich particles did not reduce incessantly. Size of Si-rich particles was governed by interaction time between tool and substrate. Mechanical property of WN was evaluated. It has been found that the maximum joint efficiency of 116% with respect to that of 6061 alloy was obtained at an intermediate tool-traversing speed, where matrix grain size was significantly fine and those of Si-rich particles were substantially small.

Microstructure-texture-mechanical properties relationship in multi-pass warm rolled Ti-6Al-4V Alloy

In the present study, high strength bulk ultrafine-grained titanium alloy Ti-6Al-4V bars were successfully processed using multi-pass warm rolling. Ti-6Al-4V bars of 12 mm diameter and several metres long were processed by multi-pass warm rolling at 650 degrees C, 700 degrees C and 750 degrees C. The highest achieved mechanical properties for Ti-6Al-4V in as rolled condition were yield strength 1191 MPa, ultimate tensile strength of 1299 MPa having an elongation of 10% when the rolling temperature was 650 degrees C. The concurrent evolution of microstructure and texture has been studied using optical microscopy, electron back scattered diffraction and x-ray diffraction. The significant improvement in mechanical properties has been attributed to the ultrafine-grained microstructure as well as the morphology of alpha and beta phases in the warm rolled specimens. The warm rolling of Ti-6Al-4V leads to formation of < 10 (1) over bar0 >alpha//RD fibre texture. This study shows that multi-pass warm rolling has potential to eliminate the costly and time consuming heat treatment steps for small diameter bar products, as the solution treated and aged (STA) properties are achievable in the as rolled condition itself. (C) 2013 Elsevier B.V. All rights reserved.

Mechanical and electronic properties of pristine and Ni-doped Si, Ge, and Sn sheets

Silicene, a graphene analogue of silicon, has been generating immense interest due to its potential for applications in miniaturized devices. Unlike planar graphene, silicene prefers a buckled structure. Here we explore the possibility of stabilizing the planar form of silicene by Ni doping using first principles density functional theory based calculations. It is found that planar as well as buckled structure is stable for Ni-doped silicene, but the buckled sheet has slightly lower total energy. The planar silicene sheet has unstable phonon modes. A comparative study of the mechanical properties reveals that the in-plane stiffness of both the pristine and the doped planar silicene is higher compared to that of the buckled silicene. This suggests that planar silicene is mechanically more robust. Electronic structure calculations of the planar and buckled Ni-doped silicene show that the energy bands at the Dirac point transform from linear behavior to parabolic dispersion. Furthermore, we extend our study to Ge and Sn sheets that are also stable and the trends of comparable mechanical stability of the planar and buckled phases remain the same.

Mechanical properties of glasses and TiO2 nanocrystal glass composites in BaO-TiO2-B2O3 system

Glasses and glass-nanocrystal (anatase TiO2) composites in BaO-TiO2-B2O3 system were fabricated by conventional melt-quenching technique and controlled heat treatment respectively. Poisson's ratio and Young's moduli were predicted through Makishima-Mackenzie theoretical equation for the as-quenched glasses by taking the four and three coordinated borons into account. Mechanical properties of the glasses and glass-nanocrystal composites were investigated in detail through nanoindentation and microindentation studies. Predicted Young's moduli of glasses were found to be in reasonable agreement with nanoindentation Measurements. Hardness and Young's modulus were enhanced with increasing volume fraction of nanocrystallites of TiO2 in glass matrix whereas fracture toughness was found susceptible to the surface features. The results were correlated to the structural units and nanocrystals present in the glasses. (C) 2013 Elsevier B.V. All rights reserved.

Note: Design and development of an integrated three-dimensional scanner for atomic force microscopy

A compact scanning head for the Atomic Force Microscope (AFM) greatly enhances the portability of AFM and facilitates easy integration with other tools. This paper reports the design and development of a three-dimensional (3D) scanner integrated into an AFM micro-probe. The scanner is realized by means of a novel design for the AFM probe along with a magnetic actuation system. The integrated scanner, the actuation system, and their associated mechanical mounts are fabricated and evaluated. The experimentally calibrated actuation ranges are shown to be over 1 mu m along all the three axes. (c) 2013 AIP Publishing LLC.