Control of Large-size SiC Growth Process Using Modeling tool

Large size bulk silicon carbide (SiC) crystals are commonly grown by the physical vapor transport (PVT) method. The PVT growth of SiC crystals involves sublimation and condensation, chemical reactions, stoichiometry, mass transport, induced thermal stress, as well as defect and micropipes generation and propagation. The quality and polytype of as-grown SiC crystals are related to the temperature distribution inside the growth chamber during the growth process, it is critical to predict the temperature distribution from the measured temperatures outside the crucible by pyrometers. A radio-frequency induction-heating furnace was used for the growth of large-size SiC crystals by the PVT method in the present study. Modeling and simulation have been used to develop the SiC growth process and to improve the SiC crystal quality. Parameters such as the temperature measured at the top of crucible, temperature measured at the bottom of the crucible, and inert gas pressure are used to control the SiC growth process. By measuring the temperatures at the top and bottom of the crucible, the temperatures inside the crucible were predicted with the help of modeling tool. SiC crystals of 6H polytype were obtained and characterized by the Raman scattering spectroscopy and SEM, and crystals of few millimeter size grown inside the crucible were found without micropipes. Expansion of the crystals were also performed with the help of modeling and simulation.

Influence of Wind and Grain Size on Migration of Asymmetric Sand Waves

Large parts of shallow seas are covered by regular seabed patterns and sand wave is one kind of these patterns. The instability of the sedimentary structures may hazard pipelines and the foundations of offshore structures. In the last decade or so, it's a focus for engineers to investigate the movement mechanism of sand waves. Previous theoretical studies of the subject have developed a general model to predict the growth and migration of sand waves, which is based on the two-dimensional vertical shallow water equations and the bed-form deformation equations. Although the relation between wave-current flow and sand bed deformation has been established, the topographic influence has not been considered in the model. In this paper some special patterns, which are asymmetric and close to the reality, are represent as the perturbed seabed and the evolution of sand waves is calculated. The combination of a steady flow induced by wind and a sinusoidal tidal flow is considered as the basic flow. Finally the relations of some parameters (grain size, etc.) and sand waves' growth and migration are discussed, and the growth rate and migration speeds of asymmetric sand waves are carried out.

Edge and Size Effects in Micro Composite Structure

Because of the load transfer effect of interface layer, the stress distribution inside the composite structure of film/substrate can be very different from the Timoshenko's model. In this paper, we give the derivation and analysis of such load transfer effect of shear-lag (S-L) model. The micro-structure size (boundary conditions) effect together with interface load transfer effect becomes more and more important as the microstructure size including the three dimensions of thickness, width and length shrinks. The microstructure size is also responsible for the so-called edge-induced stress. The edge effect and difference of S-L model and Timoshenko model are also demonstrated.

Development of a Cell Size Relaxed Scheme for the Direct Simulation Monte Carlo Method

The conventional direct simulation Monte Carlo (DSMC) method has a strong restriction on the cell size because simulated particles are selected randomly within the cell for collisions. Cells with size larger than the molecular mean free path are generally not allowed in correct DSMC simulations. However, the cell-size induced numerical error can be controlled if the gradients of flow properties are properly involved during collisions. In this study, a large cell DSMC scheme is proposed to relax the cell size restriction. The scheme is applied to simulate several test problems and promising results are obtained even when the cell size is greater than 10 mean free paths of gas molecules. However, it is still necessary, of course, that the cell size be small with respect to the flow field structures that must be resolved.

Interface cracking and particulate size effect in particle-reinforced metal-matrix composites

The mechanical behaviors of the ceramic particle-reinforced metal matrix composites are modeled based on the conventional theory of mechanism-based strain gradient plasticity presented by Huang et al. Two cases of interface features with and without the effects of interface cracking will be analyzed, respectively. Through comparing the result based on the interface cracking model with experimental result, the effectiveness of the present model can be evaluated. Simultaneously, the length parameters included in the strain gradient plasticity theory can be obtained.

Study on fatigue crack nucleation of electrodeposited nanocrystalline nickel

The mechanism of fatigue crack nucleation for nanocrystalline (nc) nickel was experimentally investigated in this paper. The samples of electrodeposited ne nickel were loaded cyclically by using a three point bending instrument at first. Then, atomic force microscopy (AFM) was used to scanning the sample surface after fatigue testing. The results indicated that, after fatigue testing, there are vortex-like cells with an average size of 108nm appeared along the crack on nc nickel sample. And, the roughness of sample surface increased with the maximum stress at the surface.

Dislocations and twins in nanocrystalline Ni after severe plastic deformation: the effects of grain size

Deformation microstructures have been investigated in nanocrystalline (nc) Ni with grain sizes in the 50-100 nm range. It was found that deformation twinning started to occur in grains of similar to 90 nm, and its propensity increased with decreasing grain size. In most of the nc grains dislocations were observed as well, in the form of individual dislocations and dipoles. It is concluded that dislocation-mediated plasticity dominates for grain sizes in the upper half, i.e. 50-100 nm, of the nanocrystalline regime. (C) 2007 Published by Elsevier B.V.

Piezoelectricity of ZnO films prepared by sol-gel method

ZnO piezoelectric thin films were prepared on crystal substrate Si(111) by sol-gel technology, then characterized by scanning electron microscopy, X-ray diffraction and atomic force microscopy (AFM). The ZnO films characterized by X-ray diffraction are highly oriented in (002) direction with the growing of the film thickness. The morphologies, roughness and grain size of ZnO film investigated by AFM show that roughness and grain size of ZnO piezoelectric films decrease with the increase of the film thickness. The roughness dimension is 2.188-0.914 nm. The piezoelectric coefficient d(33) was investigated with a piezo-response force microscope (PFM). The results show that the piezoelectric coefficient increases with the increase of thickness and (002) orientation. When the force reference is close to surface roughness of the films, the piezoelectric coefficient measured is inaccurate and fluctuates in a large range, but when the force reference is big, the piezoelectric coefficient d(33) changes little and ultimately keeps constant at a low frequency.

Size-dependent elastic properties of Ni nanofilms by molecular dynamics simulation

Size-dependent elastic properties of Ni nanofilms are investigated by molecular dynamics ( MD) simulations with embedded atom method (EAM). The surface effects are considered by calculating the surface relaxation, surface energy, and surface stress. The Young's modulus and yield stress are obtained as functions of thickness and crystallographic orientation. It is shown that the surface relaxation has important effects on the the elastic properties at nanoscale. When the surface relaxation is outward, the Young's modulus decreases with the film thickness decreasing, and vice versa. The results also show that the yield stresses of the films increase with the films becoming thinner. With the thickness of the nanofilms decreasing, the surface effects on the elastic properties become dominant.

The surface- and size-dependent elastic moduli of nanostructures

A theoretical model is presented to investigate the size-dependent elastic moduli of nanostructures with the effects of the surface relaxation surface energy taken into consideration. At nanoscale, due to the large ratios of the surface-to-volume, the surface effects, which include surface relaxation surface energy, etc., can play important roles. Thus, the elastic moduli of nanostructures become surface- and size-dependent. In the research, the three-dimensional continuum model of the nanofilm with the surface effects is investigated. The analytical expressions of five nonzero elastic moduli of the nanofilm are derived, and then the dependence of the elastic moduli is discussed on the surface effects and the characteristic dimensions of nanofilms.

Atomistic Simulation On Size-Dependent Yield Strength And Defects Evolution Of Metal Nanowires

A simple derivation based on continuum mechanics is given, which shows the surface stress is critical for yield strength at ultra-small scales. Molecular dynamics (MD) simulations with modified embedded atom method (MEAM) are employed to investigate the mechanical behaviors of single-crystalline metal nanowires under tensile loading. The calculated yield strengths increasing with the decrease of the cross-sectional area of the nanowires are in accordance with the theoretical prediction. Reorientation induced by stacking faults is observed at the nanowire edge. In addition. the mechanism of yielding is discussed in details based on the snapshots of defects evolution. The nanowires in different crystallographic orientations behave differently in stretching deformation. This study on the plastic properties of metal nanowires will be helpful to further understanding of the mechanical properties of nanomaterials. (C) 2009 Elsevier B.V. All rights reserved.

Size- And Temperature-Dependent Thermal Expansion Coefficient Of A Nanofilm

The thermal expansion coefficient (TEC) of an ideal crystal is derived by using a method of Boltzmann statistics. The Morse potential energy function is adopted to show the dependence of the TEC on the temperature. By taking the effects of the surface relaxation and the surface energy into consideration, the dimensionless TEC of a nanofilm is derived. It is shown that with decreasing thickness, the TEC can increase or decrease, depending on the surface relaxation of the nanofilm.

Mechanisms underlying two kinds of surface effects on elastic constants

ABSTRACT Recently, people are confused with two opposite variations of elastic modulus with decreasing size of nano scale sample: elastic modulus either decreases or increases with decreas- ing sample size. In this paper, based on intermolecular potentials and a one dimensional model, we provide a unified understanding of the two opposite size effects. Firstly, we analyzed the mi- crostructural variation near the surface of an fcc nanofilm based on the Lennard-Jones potential. It is found that the atomic lattice near the surface becomes looser in comparison with the bulk, indicating that atoms in the bulk are located at the balance of repulsive forces, resulting in the decrease of the elastic moduli with the decreasing thickness of the film accordingly. In addition, the decrease in moduli should be attributed to both the looser surface layer and smaller coor- dination number of surface atoms. Furthermore, it is found that both looser and tighter lattice near the surface can appear for a general pair potential and the governing mechanism should be attributed to the surplus of the nearest force to all other long range interactions in the pair po- tential. Surprisingly, the surplus can be simply expressed by a sum of the long range interactions and the sum being positive or negative determines the looser or tighter lattice near surface re- spectively. To justify this concept, we examined ZnO in terms of Buckingham potential with long range Coulomb interactions. It is found that compared to its bulk lattice, the ZnO lattice near the surface becomes tighter, indicating the atoms in the bulk located at the balance of attractive forces, owing to the long range Coulomb interaction. Correspondingly, the elastic modulus of one- dimensional ZnO chain increases with decreasing size. Finally, a kind of many-body potential for Cu was examined. In this case, the surface layer becomes tighter than the bulk and the modulus increases with deceasing size, owing to the long range repulsive pair interaction, as well as the cohesive many-body interaction caused by the electron redistribution.

A thin liquid film and its effects in an atomic force microscopy measurement

Recently, it has been observed that a liquid film spreading on a sample surface will significantly distort atomic force microscopy (AFM) measurements. In order to elaborate on the effect, we establish an equation governing the deformation of liquid film under its interaction with the AFM tip and substrate. A key issue is the critical liquid bump height y(0c) at which the liquid film jumps to contact the AFM tip. It is found that there are three distinct regimes in the variation of y(0c) with film thickness H, depending on Hamaker constants of tip, sample and liquid. Noticeably, there is a characteristic thickness H* physically defining what a thin film is; namely, once the film thickness H is the same order as H* , the effect of film thickness should be taken into account. The value of H* is dependent on Hamaker constants and liquid surface tension as well as tip radius.

Influence of Contact Angle and Tube Size on Capillary-Driven Flow Under Microgravity

The influence of contact angle and tube radius on the capillary-driven flow for circular cylindrical tubes is studied systematically by microgravity experiments using the drop tower. Experimental results show that the velocity of the capillary flow decreases monotonically with an increase in the contact angle. However, the time-evolution of the velocity of the capillary flow is different for different sized tubes. At the beginning of the microgravity period, the capillary flow in a thinner tube moves faster than that in a thicker tube, and then the latter overtakes the former. Therefore, there is an intersection between the curves of meniscus velocity vs microgravity time for two differently sized tubes. In addition, for two given sized tubes this intersection is delayed when the contact angle increases. The experimental results are analyzed theoretically and also supported by numerical computations.