Dislocations emission and crack extension at the atomistic crack tip in body-centered-cubic metal Mo

The behaviors of a crack in body-centered-cubic metal Mo under different loading modes were studied using the molecular dynamics method. Dislocation emission was observed near the crack tip in response to mode II loading with theta = 0 degrees in which theta is the inclination angle of the slip plane with respect to the crack plane, and two full dislocations were observed at the stress level of K-II = 1.17 MPa m(1/2) without any evidence of crack extension. Within the range of 0 degrees less than or equal to theta less than or equal to 45 degrees, crack extension was observed in response to mode I loading, and the effect of crystal orientation on the crack propagation was studied, The crack propagated along the [111] slip direction without any evidence of dislocations emission.

Laminar Plasma Spraying of Metal Wire in Atmosphere

利用层流等离子体射流，以普通工程铁丝为喷涂材料，在Q235基体表面制备金属涂层，并利用喷涂系统的参数可调性研究工艺参数对涂层质量的影响。结果表明，利用层流等离子体射流喷涂可以得到具有典型层状结构、氧化较少的致密涂层。

Transition to Chaos in the Floating Half Zone Convection

The transition process from steady convection to chaos is experimentally studied in thermocapillary convections of floating half zone. The onset of temperature oscillations in the liquid bridge of floating half zone and further transitions of the temporal convective behaviour are detected by measuring the temperature in the liquid bridge. The fast Fourier transform reveals the frequency and amplitude characteristics of the flow transition. The experimental results indicate the existence of a sequence of period-doubling bifurcations that culminate in chaos. The measured Feigenbaum numbers are delta(2) = 4.69 and delta(4) = 4.6, which are comparable with the theoretical asymptotic value delta = 4.669.

Two bifurcation transitions of the floating half zone convection in a fat liquid bridge of larger Pr

The transient process of the thermocapillary convection was obtained for the large Pu floating half zone by using the method of three-dimensional and unsteady numerical simulation. The convection transits directly from steady and axisymmetric state to oscillatory flow for slender liquid bridge, and transits first from steady and axisymmetric convection to the steady and non-axisymmetric convection, then, secondly to the oscillatory convection for the fatter liquid bridge. This result implies that the volume of liquid bridge is not only a sensitive critical parameter for the onset of oscillation, but also relates to the new mechanism for the onset of instability in the floating half zone convection even in case of large Prandtl number fluid.

An elasto-plastic constitutive relation of whisker-reinforced metal-matrix composite

A material model for whisker-reinforced metal-matrix composites is constructed that consists of three kinds of essential elements: elastic medium, equivalent slip system, and fiber-bundle. The heterogeneity of material constituents in position is averaged, while the orientation distribution of whiskers and slip systems is considered in the structure of the material model. Crystal and interface sliding criteria are addressed. Based on the stress-strain response of the model material, an elasto-plastic constitutive relation is derived to discuss the initial and deformation induced anisotropy as well as other fundamental features. Predictions of the present theory for unidirectional-fiber-reinforced aluminum matrix composites are favorably compared with FEM results.

Microscale mechanics for metal thin film delamination along ceramic substrates

The metal thin film delamination along metal/ceramic interface in the case of large scale yielding is studied by employing the strain gradient plasticity theory and the material microscale effects are considered. Two different fracture process models are used in this study to describe the nonlinear delamination phenomena for metal thin films. A set of experiments have been done on the mechanism of copper films delaminating from silica substrates, based on which the peak interface separation stress and the micro-length scale of material, as well as the dislocation-free zone size are predicted.

Instability from steady and axisymmetric to steady and asymmetric floating half zone convection in a fat liquid bridge of larger Prandtl number

The linear instability analysis of the present paper shows that the thermocapillary convection in a half floating zone of larger Prandtl number has a steady instability mode w(i) = 0 and m = 1 for a fat liquid bridge V = 1.2 with small geometrical aspect ratio A = 0.6. This conclusion is different from the usual idea of hydrothermal instability, and implies that the instability of the system may excite a steady and axial asymmetric state before the onset of oscillation in the ease of large Prandtl number.

QM/MM and Classical Molecular Dynamics Simulation of Histidine-Tagged Peptide Immobilization on Nickel Surface

The hybrid quantum mechanics (QM) and molecular mechanics (MM) method is employed to simulate the His-tagged peptide adsorption to ionized region of nickel surface. Based on the previous experiments, the peptide interaction with one Ni ion is considered. In the QM/MM calculation, the imidazoles on the side chain of the peptide and the metal ion with several neighboring water molecules are treated as QM part calculated by “GAMESS”, and the rest atoms are treated as MM part calculated by “TINKER”. The integrated molecular orbital/molecular mechanics (IMOMM) method is used to deal with theQMpart with the transitional metal. By using the QM/MM method, we optimize the structure of the synthetic peptide chelating with a Ni ion. Different chelate structures are considered. The geometry parameters of the QM subsystem we obtained by QM/MM calculation are consistent with the available experimental results. We also perform a classical molecular dynamics (MD) simulation with the experimental parameters for the synthetic peptide adsorption on a neutral Ni(1 0 0) surface. We find that half of the His-tags are almost parallel with the substrate, which enhance the binding strength. Peeling of the peptide from the Ni substrate is simulated in the aqueous solvent and in vacuum, respectively. The critical peeling forces in the two environments are obtained. The results show that the imidazole rings are attached to the substrate more tightly than other bases in this peptide.

Two Bifurcation Transition Processes in Floating Half Zone Convection of Larger Prandtl Number Fluid

Processes of the onset oscillation in the thermocapillaxy convection under the Earth's gravity are investigated by the numerical simulation and experiments in a floating half zone of large Prandtl number with different volume ratio. Both computational and experimental results show that the steady and axisymmetric convection turns to the oscillatory convection of m=1 for the slender liquid bridge, and to the oscillatory convection before a steady and 3D asymmetric state for the case of a fat liquid bridge. It implies that, there are two critical Marangoni numbers related, respectively, to these two bifurcation transitions for the fat liquid bridge. The computational results agree with the results of ground-based experiments.

Onset of Adiabatic Shear Instability in Strain Gradient Dependent Metal Matrix Composites

In this paper, effect of strain gradient on adiabatic shear instability in particle reinforced metal matrix composites is investigated by making use of the strain gradient dependent constitutive equation developed by Dai et al. [9] and the linear perturbation analysis presented by Bai [10]. The results have shown that the onset of adiabatic shear instability in metal matrix composites reinforced with small particles is more prone to occur than in the composites reinforced with large particles. This means that the strain gradient provides a strong deriving force for onset of adiabatic shear instability in metal matrix composites.

Influence of liquid bridge volume on instability of floating half zone convection

Thermocapillary instabilities on floating half zone convection in microgravity environment were investigated by linear instability analysis method. The critical Marangoni numbers were obtained and compared with the experimental ones. The influences of the liquid bridge volume and the aspect ratio on the critical Marangoni number were analyzed. It is found that the liquid bridge volume and the aspect ratio have great influence on the critical Marangoni number. There was a gap region where the oscillatory convection will not be observed in present analyses and in experiments in the curve of the critical Marangoni number vs the liquid bridge volume for the case of large Prandtl number and small aspect ratio.

Particulate Size Effects in the Particle-Reinforced Metal-Matrix Composites

The influences of I,article size on the mechanical properties of the particulate metal matrix composite;are obviously displayed in the experimental observations. However, the phenomenon can not be predicted directly using the conventional elastic-plastic theory. It is because that no length scale parameters are involved in the conventional theory. In the present research, using the strain gradient plasticity theory, a systematic research of the particle size effect in the particulate metal matrix composite is carried out. The roles of many composite factors, such as: the particle size, the Young's modulus of the particle, the particle aspect ratio and volume fraction, as well as the plastic strain hardening exponent of the matrix material, are studied in detail. In order to obtain a general understanding for the composite behavior, two kinds of particle shapes, ellipsoid and cylinder, are considered to check the strength dependence of the smooth or non-smooth particle surface. Finally, the prediction results will be applied to the several experiments about the ceramic particle-reinforced metal-matrix composites. The material length scale parameter is predicted.

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.

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.