Elasticity, stability, and ideal strength of beta-SiC in plane-wave-based ab initio calculations

On the basis of the pseudopotential plane-wave method and the local-density-functional theory, this paper studies energetics, stress-strain relation, stability, and ideal strength of beta-SiC under various loading modes, where uniform uniaxial extension and tension and biaxial proportional extension are considered along directions [001] and [111]. The lattice constant, elastic constants, and moduli of equilibrium state are calculated and the results agree well with the experimental data. As the four SI-C bonds along directions [111], [(1) over bar 11], [11(1) over bar] and [111] are not the same under the loading along [111], internal relaxation and the corresponding internal displacements must be considered. We find that, at the beginning of loading, the effect of internal displacement through the shuffle and glide plane diminishes the difference among the four Si-C bonds lengths, but will increase the difference at the subsequent loading, which will result in a crack nucleated on the {111} shuffle plane and a subsequently cleavage fracture. Thus the corresponding theoretical strength is 50.8 GPa, which agrees well with the recent experiment value, 53.4 GPa. However, with the loading along [001], internal relaxation is not important for tetragonal symmetry. Elastic constants during the uniaxial tension along [001] are calculated. Based on the stability analysis with stiffness coefficients, we find that the spinodal and Born instabilities are triggered almost at the same strain, which agrees with the previous molecular-dynamics simulation. During biaxial proportional extension, stress and strength vary proportionally with the biaxial loading ratio at the same longitudinal strain.

Microstructure and mechanical behaviour of a SiC particles reinforced Al-5Cu composite under dynamic loading

The mechanical behaviour of a composite of Al–5Cu matrix reinforced with 15% SiC particles was studied at different strain rates from 1×10−3 to 2.5×103 s−1 using both a conventional universal testing machine (for low strain-rate tests) and a split Hopkinson bar (for tests at dynamic strain rates). Whilst the yield stress of the composite increases as the strain rate increases, the maximum flow stresses, 440 MPa for compression and 450 MPa for tension, are independent of strain rate. The microstructures and defect structures of the deformed composite were studied with both scanning electron microscopy and transmission electron microscopy and were correlated to the observed mechanical behaviour. Fracture surface studies of samples after dynamic tensile testing indicates that failure of the composite is controlled by ductile failure of the aluminium matrix by the nucleation, growth and coalescence of voids.

Thermoelastic Stresses in SiC Single Crystals Grown by the Physical Vapor Transport Method

A finite element-based thermoelastic anisotropic stress model for hexagonal silicon carbide polytype is developed for the calculation of thermal stresses in SiC crystals grown by the physical vapor transport method. The composite structure of the growing SiC crystal and graphite lid is considered in the model. The thermal expansion match between the crucible lid and SiC crystal is studied for the first time. The influence of thermal stress on the dislocation density and crystal quality is discussed.

Thermal mismatch stress in SiC whisker reinforced aluminium composite: new measurement method by X-ray diffraction

A new X-ray diffraction method for characterising thermal mismatch stress (TMS) in SiC_w–Al composite has been developed. The TMS and thermal mismatch strain (TMSN) in SiC whiskers are considered to be axis symmetrical, and can be calculated by measuring the lattice distortion of the whiskers. Not only the average TMS in whiskers and matrix can be obtained, but the TMS components along longitudinal and radial directions in the SiC whiskers can also be deduced. Experimental results indicate that the TMS in SiC whiskers is compressive, and tensile in the aluminium matrix. The TMS and TMSN components along the longitudinal direction in the SiC whiskers are greater than those along the radial direction for a SiC_w–Al composite quenched at 500°C.

Failure of SiC particulate-reinforced metal matrix composites induced by laser thermal shock

Thermal failure of SiC particulate-reinforced 6061 aluminum alloy composites induced by both laser thermal shock and mechanical load has been investigated. The specimens with a single-edge notch were mechanically polished to 0.25 mm in thickness. The notched-tip region of the specimen is subjected to laser beam rapid heating. In the test, a pulsed Nd:glass laser beam is used with duration 1.0 ms or 250 mu s, intensity 15 or 70 kW/cm(2), and spot size 5.0 mm in diameter. Threshold intensity was tested and fracture behavior was studied. The crack-tip process zone development and the microcrack formation were macroscopically and microscopically observed. It was found that in these materials, the initial crack occurred in the notched-tip region, wherein the initial crack was induced by either void nucleation, growth, and subsequent coalescence of the matrix materials or separation of the SiC particulate-matrix interface. It was further found that the process of the crack propagation occurred by the fracture of the SiC particulates.

A nanoindentation analysis of the effects of microstructure on elastic properties of Al2O3/SiC composites

Nanoindentation tests were carried out to investigate certain elastic properties of Al2O3/SiCp composites at microscopic scales (nm up to mu m) and under ultra-low loads from 3 mN to 250 mN, with special attention paid to effects caused by SiC particles and pores. The measured Young's modulus depends on the volume fraction of SiC particles and on the composite porosity and it can compare with that of alumina. The Young's modulus exhibits large scatters at small penetrations, but it tends to be constant with lesser dispersion as the indentation depth increases. Further analysis indicated that the scatter results from specific microstructural heterogeneities. The measured Young's moduli are in agreement with predictions, provided the actual role of the microstructure is taken into account. (C) 2007 Elsevier Ltd. All rights reserved.

SiC颗粒对Al-Zn合金激光快凝晶粒组织的影响

Al-Zn合金和SiCp/Al-Zn复合材料的激光重熔晶粒组织的对比研究表明 ,SiC颗粒对凝固初生相的生长具有阻碍作用。在颗粒尺寸较大和颗粒含量较高的条件下 ,激光熔池中会形成非外延生长的晶粒

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.

Alignment of nanoparticles formed on the surface of 6H-SiC crystals irradiated by two collinear femtosecond laser beams

Nanoripples with periods of 150 and 80 nm are formed on the surface of 6H-SiC crystals irradiated by the p-polarized 800 nm and the s-polarized 400 nm femtosecond lasers, respectively. When both of the two collinear laser beams focus simultaneously on the sample surface, nanoparticles are formed on the whole ablation area, and they array in parallel lines. We propose and confirm that the second harmonics in the sample surface excited by the incident lasers plays an important role in the formation of nanostructures.

飞秒激光的波长对SiC材料烧蚀的影响

利用10倍的显微物镜将近红外飞秒激光脉冲汇聚到宽带隙半导体材料6HSiC的前表面，研究样品的烧蚀及诱导微细结构。用扫描电镜（Scanning electron microscope，SEM）及光学显微镜测量烧蚀斑。利用烧蚀面积与激光脉冲能量的关系确定SiC的烧蚀阈值。给出了SiC样品的烧蚀阈值与飞秒激光波长的依赖关系。实验结果表明，可见光区随波长增加，烧蚀阈值从0．29J／cm^2增加到0．67J／cm^2；而在近红外区，SiC的烧蚀阈值为0．70J／cm^2左右，基本上不随激光波长变化而改变。结合计算结

Optical breakdown of 6H SiC induced by wavelength-tunable femtosecond laser pulses

The damage mechanisms and micromachining of 6H SiC are studied by using femtosecond laser pulses at wavelengths between near infrared (NIR) and near ultraviolet (NUV) delivered from an optical parametric amplifier (OPA). Our experimental results indicate that high quality microstructures can be fabricated in SiC crystals. On the basis of the dependence of the ablated area and the laser pulse energy, the threshold fluence of SiC is found to increase with the incident laser wavelength in the visible region, while it remains almost constant for the NIR laser. For the NIR laser pulses, both photoionization and impact ionization play important roles in electronic excitation, while for visible lasers, photoionization plays a more important role.

Formation mechanisms of uniform arrays of periodic nanoparticles and nanoripples on 6H-SiC crystal surface induced by femtosecond laser ablation

Uniform arrays of periodic nanoparticles with 80-nm period are formed on 6H-SiC crystal irradiated by circularly polarized 400-nm femtosecond laser pulses. In order to understand the formation mechanism, the morphology evolvement as a function of laser pulse energy and number is studied. Periodic nanoripples are also formed on the sample surface irradiated by linearly polarized 400-, 510- and 800-nm femtosecond laser pulses. All these results support well the mechanism that second-harmonic generation plays an important role in the formation of periodic nanostructures.

飞秒激光在6H SiC晶体表面制备纳米微结构

激光诱导周期性纳米微结构在多种材料包括电介质、半导体、金属和聚合物中观察到。研究了800 nm和400 nm飞秒激光垂直聚焦于6H SiC晶体表面制备纳米微结构。实验观察到800 nm和400 nm线偏光照射样品表面分别得到周期为150 nm和80 nm的干涉条纹, 800 nm圆偏振激光单独照射样品表面得到粒径约100 nm的纳米颗粒。偏振相互垂直的800 nm和400 nm激光同时照射晶体得到粒径约100 nm的纳米颗粒阵列, 该纳米阵列的方向随400 nm激光强度增加而向400 nm偏振方向偏转。利