Instability, intermittency, and multiscaling in discrete growth models of kinetic roughening

We show by numerical simulations that discretized versions of commonly studied continuum nonlinear growth equations (such as the Kardar-Parisi-Zhangequation and the Lai-Das Sarma-Villain equation) and related atomistic models of epitaxial growth have a generic instability in which isolated pillars (or grooves) on an otherwise flat interface grow in time when their height (or depth) exceeds a critical value. Depending on the details of the model, the instability found in the discretized version may or may not be present in the truly continuum growth equation, indicating that the behavior of discretized nonlinear growth equations may be very different from that of their continuum counterparts. This instability can be controlled either by the introduction of higher-order nonlinear terms with appropriate coefficients or by restricting the growth of pillars (or grooves) by other means. A number of such ''controlled instability'' models are studied by simulation. For appropriate choice of the parameters used for controlling the instability, these models exhibit intermittent behavior, characterized by multiexponent scaling of height fluctuations, over the time interval during which the instability is active. The behavior found in this regime is very similar to the ''turbulent'' behavior observed in recent simulations of several one- and two-dimensional atomistic models of epitaxial growth.

Nucleation and growth characteristics of cavities during the early stages of tensile creep deformation in a superplastic zirconia-20 wt% alumina composite

Constant-stress tensile creep experiments on a superplastic 3-mol%-yttria-stabilized tetragonal zirconia composite with 20 wt% alumina revealed that cavities nucleate relatively early during tensile deformation. The number of cavities nucleated increases with increasing imposed stress. The cavities nucleate at triple points associated largely with an alumina grain, and then grow rapidly in a cracklike manner to attain dimensions on the order of the grain facet size. It is suggested that coarser-grained superplastic ceramics exhibit lower ductility due to the ease in formation of such grain boundary facet-cracks and their interlinkage to form a macroscopic crack of critical dimensions.

Effect of lattice orientation on crack tip constraint in ductile single crystals

In this work, the effect of lattice orientation on the fields prevailing near a notch tip is investigated pertaining to various constraint levels in FCC single crystals. A modified boundary layer formulation is employed and numerical solutions under mode I, plane strain conditions are generated by assuming an elastic-perfectly plastic FCC single crystal. The analysis is carried out corresponding to different lattice orientations with respect to the notch line. It is found that the near-tip deformation field, especially the development of kink or slip shear bands is sensitive to the constraint level. The stress distribution and the size and shape of the plastic zone near the notch tip are also strongly influenced by the level of T-stress. The present results clearly establish that ductile single crystal fracture geometries would progressively lose crack tip constraint as the T-stress becomes more negative irrespective of lattice orientation. Also, the near-tip field for a range of constraint levels can be characterized by two-parameters such as K-T or J-Q as in isotropic plastic solids.

Electric Field Directed Growth of Molecular Wires of Charge Transfer Molecules on Prefabricated Metal Electrodes

Molecular wires of charge transfer molecules were formed by co-evaporating the 7 7 8 8-Tetracyanoquinodimethane [TCNQ] (acceptor) and Tetrathiafulvalene [TTF] (donor) molecules across prefabricated metal electrodes. Molecular wires of TTF TCNQ were also formed by evaporating single complex of TTF:TCNQ across prefabricated metal electrodes The prefabricated metal electrodes were made using electron beam lithography on SiO2 and glass cover slip substrates. Even though TTF: TCNQ wires grown from both co-evaporation and evaporation techniques show semiconductor like behavior in temperature dependence of resistance they show different activation energies due the difference in stoichiometry of TTF and TCNQ.

Effect of density variation and non-covalent functionalization on the compressive behavior of carbon nanotube arrays

Arrays of aligned carbon nanotubes (CNTs) have been proposed for different applications, including electrochemical energy storage and shock-absorbing materials. Understanding their mechanical response, in relation to their structural characteristics, is important for tailoring the synthesis method to the different operational conditions of the material. In this paper, we grow vertically aligned CNT arrays using a thermal chemical vapor deposition system, and we study the effects of precursor flow on the structural and mechanical properties of the CNT arrays. We show that the CNT growth process is inhomogeneous along the direction of the precursor flow, resulting in varying bulk density at different points on the growth substrate. We also study the effects of non-covalent functionalization of the CNTs after growth, using surfactant and nanoparticles, to vary the effective bulk density and structural arrangement of the arrays. We find that the stiffness and peak stress of the materials increase approximately linearly with increasing bulk density.

Atomic Scale Fluctuations Govern Brittle Fracture and Cavitation Behavior in Metallic Glasses

We perform atomistic simulations on the fracture behavior of two typical metallic glasses, one brittle (FeP) and the other ductile (CuZr), and show that brittle fracture in the FeP glass is governed by an intrinsic cavitation mechanism near crack tips in contrast to extensive shear banding in the ductile CuZr glass. We show that a high degree of atomic scale spatial fluctuations in the local properties is the main reason for the observed cavitation behavior in the brittle metallic glass. Our study corroborates with recent experimental observations of nanoscale cavity nucleation found on the brittle fracture surfaces of metallic glasses and provides important insights into the root cause of the ductile versus brittle behavior in such materials.

Modeling of growth and motion of equiaxed dendrites in a convecting melt

A numerical micro-scale model is developed to study the behavior of dendrite growth in presence of melt convection. In this method, an explicit, coupled enthalpy model is used to simulate the growth of an equiaxed dendrite, while a Volume of Fluid (VOF) method is used to track the movement of the dendrite in the convecting melt in a two-dimensional Eulerian framework. Numerical results demonstrate the effectiveness of the enthalpy model in simulating the dendritic growth involving complex shape, and the accuracy of VOF method in conserving mass and preserving the complex dendritic shape during motion. Simulations are performed in presence of uniform melt flow for both fixed and moving dendrites, and the difference in dendrite morphology is shown.

Growth and characterization of SrBi2Nb2O9 thin films by pulsed-laser ablation

Polycrystalline films of SrBi2Nb2O9 were grown using pulsed-laser ablation. The ferroelectric properties were achieved by low-temperature deposition followed by a subsequent annealing process. The lower switching voltage was obtained by lowering the thickness, which did not affect the insulating nature of the films. The hysteresis results showed an excellent square-shaped loop with results (Pr = 6 μC/cm2, Ec = 100 kV/cm) in good agreement with earlier reports. The films also exhibited a dielectric constant of 250 and a dissipation factor of 0.02. The transport studies indicated an ohmic behavior, while higher voltages induced a bulk space charge.

Growth and ferroelectric properties of Bi2VO5.5 thin films with metallic LaNiO3 electrodes

Novel ferroelectric bismuth vanadate, Bi2VO5.5 (BVO), thin films have been grown between lattice matched metallic LaNiO3 (LNO) layers deposited on SrTiO3 (STO) by the pulsed laser deposition technique. LNO/BVO/LNO/STO and Au/BVO/LNO/STO trilayer structures exhibited c‐oriented (001) growth of BVO. LNO has been found to be a good metallic electrode with sheet resistance ∼20 Ω in addition to aiding c‐axis oriented BVO growth. The dielectric constant, ϵr of LNO/BVO/LNO/STO, at 300 K was about 12. However, when an Au electrode was used on top of BVO/LNO/STO film, it showed a significant improvement in the dielectric constant (ϵr=123). The ferroelectric properties of BVO thin films have been confirmed by hysteresis behavior with a remnant polarization, Pr=4.6×10−8 C/cm2 and coercive field, Ec=23 kV/cm at 300 K.

Structural and dielectric behavior of pulsed laser ablated Sr(0.6)Ca(0.4)TiO(3) thin film and asymmetric multilayer of SrTiO(3) and CaTiO(3)

Homogeneous thin films of Sr(0.6)Ca(0.4)TiO(3) (SCT40) and asymmetric multilayer of SrTiO(3) (STO) and CaTiO(3) (CTO) were fabricated on Pt/Ti/SiO(2)/Si substrates by using pulsed laser deposition technique. The electrical behavior of films was observed within a temperature range of 153 K-373 K. A feeble dielectric peak of SCT40 thin film at 273 K is justified as paraelectric to antiferroelectric phase transition. Moreover, the Curie-Weiss temperature, determined from the epsilon'(T) data above the transition temperature is found to be negative. Using Landau theory, the negative Curie-Weiss temperature is interpreted in terms of an antiferroelectric transition. The asymmetric multilayer exhibits a broad dielectric peak at 273 K. and is attributed to interdiffusion at several interfaces of multilayer. The average dielectric constants for homogeneous Sr(0.6)Ca(0.4)TiO(3) films (similar to 650) and asymmetric multilayered films (similar to 350) at room temperature are recognized as a consequence of grain size effect. Small frequency dispersion in the real part of the dielectric constants and relatively low dielectric losses for both cases ensure high quality of the films applicable for next generation integrated devices. (C) 2011 Elsevier B.V. All rights reserved.

Influence of minor addition of boron on tensile and fatigue properties of wrought Ti-6Al-4V alloy

Addition of boron to cast Ti-6Al-4V alloy leads to significant refinement in grain size, which in turn improves processibilty as well as the mechanical properties of the as-cast alloy. Room temperature tensile and fatigue properties of Wrought Ti-6Al-4V-B alloys with B up to 0.09 wt.% are investigated. Thermo-mechanical processing at 950 degrees C caused kinking of alpha lamellae and alignment of TiB particles in the flow direction with a negligible change in prior beta grain and colony sizes, indicating the absence of dynamic recrystallisation during forging. Characterisation with the aid of X-ray and electron back scattered diffraction reveal a strong basal texture in B free alloy which gets randomised with the 0.09B addition in the forged condition. Marginal enhancement in tensile and fatigue properties upon forging is noted. B free wrought Ti-6Al-4V alloy exhibits better tensile strength as compared to B containing alloy, due to the operation of < c+a > slip on pyramidal planes with high value of CRSS as compared to < a > slip on basal and prismatic planes. Decrease in fatigue strength of Ti-6Al-4V-0.04B in as-cast and the wrought state is observed due to increase in the volume fraction of grain boundary a phase with B addition, which acts as a crack nucleation site. No significant effect of TiB particles on tensile and fatigue properties is observed. (C) 2012 Elsevier B.V. All rights reserved.

Role of electrolyte additives on in-vitro electrochemical behavior of micro arc oxidized titania films on Cp Ti

The present work is aimed at studying the influence of electrolyte chemistry on the voltage-time (V-T) response characteristics, phase structure, surface morphology, film growth rate and corrosion properties of titania films fabricated by micro arc oxidation (MAO) on Cp Ti. The titania films were developed with a sodium phosphate based reference electrolyte comprising the additives such as sodium carbonate (Na2CO3), sodium nitrite (NaNO2) and urea (CO(NH2)(2)). The phase composition, surface morphology, elemental composition and thickness of the films were assessed by X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) techniques. The corrosion characteristics of the fabricated films were studied under Kokubo simulated body fluid (SBF) condition by potentiodynamic polarization, long term potential and linear polarization resistance (LPR) measurements and electrochemical impedance spectroscopy (EIS) methods. In addition, the corrosion characteristics of the grown films were analyzed by EIS curve fitting and equivalent circuit modeling. Salt spray test (SST) as per ASTM B 117 standard was also conducted to verify the corrosion resistance of the grown films. The XRD results showed that the titania films were composed of both anatase and rutile phases at different proportions. Besides, the films grown in carbonate and nitrite containing electrolyte systems showed an enhanced growth of their rutile phase in the 1 0 1] direction which could be attributed to the modifications introduced in the growth process by the abundant oxygen available during the process. The SEM-EDX and elemental mapping results showed that the respective electrolyte borne elements were incorporated and distributed uniformly in all the films. Among all the grown films under study, the film developed in carbonate containing electrolyte system exhibited considerably improved corrosion resistance due to suitable modifications in its structural and morphological characteristics. The rate of anatase to rutile phase transformation and the rutile growth direction were strongly influenced by the abundant oxidizing species available during the film growth process. (C) 2012 Elsevier B. V. All rights reserved.

Ultrasonic performance of the PVDF thin film sensors under thermal fatigue

In the present work, the ultrasonic strain sensing performance of the large area PVDF thin film subjected to the thermal fatigue is studied. The PVDF thin film is prepared using hot press and the piezoelectric phase (beta-phase) has been achieved by thermo-mechanical treatment and poling under DC field. The sensors used in aircrafts for structural health monitoring applications are likely to be subjected to a wide range of temperature fluctuations which may create thermal fatigue in both aircraft structures and in the sensors. Thus, the sensitivity of the PVDF sensors for thermal fatigue needs to be studied for its effective implementation in the structural health monitoring applications. In present work, the fabricated films have been subjected to certain number of thermal cycles which serve as thermal fatigue and are further tested for ultrasonic strain sensitivity at various different frequencies. The PVDF sensor is bonded on the beam specimen at one end and the ultrasonic guided waves are launched with a piezoelectric wafer bonded on another end of the beam. Sensitivity of PVDF sensor in terms of voltage is obtained for increasing number of thermal cycles. Sensitivity variation is studied at various different extent of thermal fatigue. The variation of the sensor sensitivity with frequency due to thermal fatigue at different temperatures is also investigated. The present investigation shows an appropriate temperature range for the application of the PVDF sensors in structural health monitoring.

Mechanical properties of ZnS nanowires and thin films: Microscopic origin of the dependence on size and growth direction

Mechanical properties of ZnS nanowires and thin films are studied as a function of size and growth direction using all-atom molecular dynamics simulations. Using the stress-strain relationship we extract Young's moduli of nanowires and thin films at room temperature. Our results show that Young's modulus of 0001] nanowires has strong size dependence. On the other hand, 01 (1) over bar0] nanowires do not exhibit a strong size dependence of Young's modulus in the size range we have investigated. We provide a microscopic understanding of this behavior on the basis of bond stretching and contraction due to the rearrangement of atoms in the surface layers. The ultimate tensile strengths of the nanowires do not show much size dependence. To investigate the mechanical behavior of ZnS in two dimensions, we calculate Young's modulus of thin films under tensile strain along the 0001] direction. Young's modulus of thin films converges to the bulk value more rapidly than that of the 0001] nanowire.

Effect of carrier concentration of InN on the transport behavior of InN/GaN heterostructure based Schottky junctions

We present the study involving the dependence of carrier concentration of InN films, grown on GaN templates using the plasma assisted molecular beam epitaxy system, on growth temperature. The influence of InN carrier concentration on the electrical transport behavior of InN/GaN heterostructure based Schottky junctions is also discussed. The optical absorption edge of InN film was found to be strongly dependent on carrier concentration, and was described by Kane's k.p model, with non-parabolic dispersion relation for carrier in the conduction band. The position of the Fermi-level in InN films was modulated by the carrier concentration in the InN films. The barrier height of the heterojunctions as estimated from I-V characteristic was also found to be dependent on the carrier concentration of InN. (C) 2012 Elsevier Ltd. All rights reserved.