Large Scale Fabrication Of Periodical Bowl-Like Micropatterns Of Single Crystal Zno

Nanostructured ZnO materials are of great significance for their potential applications in photoelectronic devices, light-emitting displays, catalysis and gas sensors. In this paper, we report a new method to produce large area periodical bowl-like micropatterns of single crystal ZnO through aqueous-phase epitaxial growth on a ZnO single crystal substrate. A self-assembled monolayer of polystyrene microspheres was used as a template to confine the epitaxial growth of single crystal ZnO from the substrate, while the growth morphology was well controlled by citrate anions. Moreover, it was found that the self-assembled monolayer of colloidal spheres plays an important role in reduction of the defect density in the epitaxial ZnO layer. Though the mechanism is still open for further investigation, the present result indicates a new route to suppress the dislocations in the fabrication of single crystal ZnO film. A predicable application of this new method is for the fabrication of two-dimensional photonic crystal structures on light emitting diode surfaces.

Theory Of Phase Transformation And Reorientation In Single Crystalline Shape Memory Alloys

A constitutive model, based on an (n + 1)-phase mixture of the Mori-Tanaka average theory, has been developed for stress-induced martensitic transformation and reorientation in single crystalline shape memory alloys. Volume fractions of different martensite lattice correspondence variants are chosen as internal variables to describe microstructural evolution. Macroscopic Gibbs free energy for the phase transformation is derived with thermodynamics principles and the ensemble average method of micro-mechanics. The critical condition and the evolution equation are proposed for both the phase transition and reorientation. This model can also simulate interior hysteresis loops during loading/unloading by switching the critical driving forces when an opposite transition takes place.

An anisotropic elastic-plastic constitutive model for single and polycrystalline metals. II—Experiments and predictions concerning thin-walled tubular OFHC copper

Predictions based on an anisotropic elastic-plastic constitutive model proposed in the first part of this paper are compared with the experimental stress and strain data on OHFC copper under first torsion to about 13% and partial unloading, and then tension-torsion to about 10% along eight different loading paths. This paper also describes the deformation and stress of the thin-walled tubular specimen under finite deformation, the numerical implementation of the model, and the detailed procedure for determining the material parameters in the model. Finally, the model is extended to a general representation of the multiple directors, and the elastic-viscoplastic extension of the constitutive model is considered.

Energy principle of ferroelectric ceramics and single domain mechanical model

Many physical experiments have shown that the domain switching in a ferroelectric material is a complicated evolution process of the domain wall with the variation of stress and electric field. According to this mechanism, the volume fraction of the domain switching is introduced in the constitutive law of ferroelectric ceramic and used to study the nonlinear constitutive behavior of ferroelectric body in this paper. The principle of stationary total energy is put forward in which the basic unknown quantities are the displacement u (i) , electric displacement D (i) and volume fraction rho (I) of the domain switching for the variant I. Mechanical field equation and a new domain switching criterion are obtained from the principle of stationary total energy. The domain switching criterion proposed in this paper is an expansion and development of the energy criterion. On the basis of the domain switching criterion, a set of linear algebraic equations for the volume fraction rho (I) of domain switching is obtained, in which the coefficients of the linear algebraic equations only contain the unknown strain and electric fields. Then a single domain mechanical model is proposed in this paper. The poled ferroelectric specimen is considered as a transversely isotropic single domain. By using the partial experimental results, the hardening relation between the driving force of domain switching and the volume fraction of domain switching can be calibrated. Then the electromechanical response can be calculated on the basis of the calibrated hardening relation. The results involve the electric butterfly shaped curves of axial strain versus axial electric field, the hysteresis loops of electric displacement versus electric filed and the evolution process of the domain switching in the ferroelectric specimens under uniaxial coupled stress and electric field loading. The present theoretic prediction agrees reasonably with the experimental results given by Lynch.

Directly synthesized strong, highly conducting, transparent single-walled carbon nanotube films

We report the direct synthesis of strong, highly conducting, and transparent single-walled carbon nanotube (SWNT) films. Systematically, tests reveal that the directly synthesized films have superior electrical and mechanical properties compared with the films made from a solution-based filtration process: the electrical conductivity is over 2000 S/cm and the strength can reach 360 MPa. These values are both enhanced by more than 1 order. We attribute these intriguing properties to the good and long interbundle connections. Moreover, by the help of an extrapolated Weibull theory, we verify the feasibility of reducing the interbundle slip by utilizing the long-range intertube friction and estimate the ultimate strength of macroscale SWNTs without binding agent.

An anisotropic elastic-plastic constitutive model for single and polycrystalline metals .1. Theoretical developments

An anisotropic elastic-plastic constitutive model for single and polycrystalline metals is proposed. The anisotropic hardening of single crystals, at first, is discussed with the viewpoint of yield surface and a new formulation of it is proposed. Then, a model for the anisotropic hardening of polycrystals is suggested by increasing the number of slip systems and incorporating the interaction of all slip systems. The interaction of grains through grain boundaries is shown to be similar to, and incorporated into, the interaction of slip systems in grains. The numerical predictions and their comparisons with experiments will follow in Part II of this paper.

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.

Preliminary-results of gaas single-crystal growth under high gravity conditions

GaAs single crystals have been grown under high gravity conditions, up to 9g0, by a recrystallization method with decreasing temperature. The impurity striations in GaAs grown under high gravity become weak and indistinct with smaller striation spacings. The dislocation density of surcharge-grown GaAs increases with increase of centrifugal force. The cathodoluminescence results also show worse perfection in the GaAs grown at high gravity than at normal earth gravity.

3D Finite Volume Scheme for Czochralski Single Crystal Growth

Czochralski (Cz) technique, which is used for growing single crystals, has dominated the production of single crystals for electronic applications. The Cz growth process involves multiple phases, moving interface and three-dimensional behavior. Much has been done to study these phenomena by means of numerical methods as well as experimental observations. A three-dimensional curvilinear finite volume based algorithm has been developed to model the Cz process. A body-fitted transformation based approach is adopted in conjunction with a multizone adaptive grid generation (MAGG) technique to accurately handle the three-dimensional problems of phase-change in irregular geometries with free and moving surfaces. The multizone adaptive model is used to perform a three-dimensional simulation of the Cz growth of silicon single crystals.Since the phase change interface are irregular in shape and they move in response to the solution, accurate treatment of these interfaces is important from numerical accuracy point of view. The multizone adaptive grid generation (MAGG) is the appropriate scheme for this purpose. Another challenge encountered is the moving and periodic boundary conditions, which is essential to the numerical solution of the governing equations. Special treatments are implemented to impose the periodic boundary condition in a particular direction and to determine the internal boundary position and shape varying with the combination of ambient physicochemical transport process and interfacial dynamics. As indicated above that the applications and processes characterized by multi-phase, moving interfaces and irregular shape render the associated physical phenomena three-dimensional and unsteady. Therefore a generalized 3D model rather than a 2D simulation, in which the governing equations are solved in a general non-orthogonal coordinate system, is constructed to describe and capture the features of the growth process. All this has been implemented and validated by using it to model the low pressure Cz growth of silicon. Accuracy of this scheme is demonstrated by agreement of simulation data with available experimental data. Using the quasi-steady state approximation, it is shown that the flow and temperature fields in the melt under certain operating conditions become asymmetric and unsteady even in the absence of extrinsic sources of asymmetry. Asymmetry in the flow and temperature fields, caused by high shear initiated phenomena, affects the interface shape in the azimuthal direction thus results in the thermal stress distribution in the vicinity, which has serious implications from crystal quality point of view.

Modeling of Ammonothermal Growth of Gallium Nitride Single Crystals

Ammonothermal growth of GaN crystals with a retrograde solubility has been modeled and simulated here using fluid dynamics, thermodynamics and heat transfer models. The nutrient is considered as a porous media bed and the flow in the porous charge is simulated using the Darcy-Brinkman-Forchheimer model. The resulting governing equations are solved using the finite volume method. For the case of retrograde solubility, the charge is put above the baffle. The temperature difference between the dissolving zone and growth zone is found smaller than that applied on the sidewall of autoclave. The baffle opening has a strong effect on the nutrient transport and supersaturation of GaN species in the growth zone.

Single curved fiber sedimentation under gravity

Dynamics of single curved fiber sedimentation under gravity are simulated by using the lattice Boltzmann method. The results of migration and rotation of the curved fiber at different Reynolds numbers are reported. The results show that the rotation and migration processes are sensitive to the curvature of the fiber. (c) 2007 Elsevier Ltd. All rights reserved.

Hydroelectric Voltage Generation Based On Water-Filled Single-Walled Carbon Nanotubes

A DFT/MD mutual iterative method was employed to give insights into the mechanism of voltage generation based on water-fitted single-walled carbon nanotubes (SWCNTs). Our calculations showed that a constant voltage difference of several mV would generate between the two ends of a carbon nanotube, due to interactions between the water dipole chains and charge carriers in the tube. Our work validates this structure of a water-fitted SWCNT as a promising candidate for a synthetic nanoscale power cell, as well as a practical nanopower harvesting device at the atomic level. 

Transport Properties And Induced Voltage In The Structure Of Water-Filled Single-Walled Boron-Nitrogen Nanotubes

Density functional theory/molecular dynamics simulations were employed to give insights into the mechanism of voltage generation based on a water-filled single-walled boron-nitrogen nanotube (SWBNNT). Our calculations showed that (1) the transport properties of confined water in a SWBNNT are different from those of bulk water in view of configuration, the diffusion coefficient, the dipole orientation, and the density distribution, and (2) a voltage difference of several millivolts would generate between the two ends of a SWBNNT due to interactions between the water dipole chains and charge carriers in the tube. Therefore, this structure of a water-filled SWBNNT can be a promising candidate for a synthetic nanoscale power cell as well as a practical nanopower harvesting device.

Formation of Single and Multiple Deformation Twins in Nanocrystalline fcc Metals

Deformation twins are often observed to meet each other to form multi-fold twins in nanostructured face-centered cubic (fcc) metals.Here we propose two types of mechanism for the nucleation and growth of four different single and multiple twins. These mechanisms provide continuous generation of twinning partials for the growth of the twins after ucleation. A relatively high stress or high strain rate is needed to activate these mechanisms, making them more prevalent in nanocrystalline materials than in their coarse-grained counterparts.Experimental observations that support the proposed mechanisms are presented.