Atomistic investigation of the effects of temperature and surface roughness on diffusion bonding between Cu and Al

Molecular dynamics (MD) simulations are carried out to analyze the diffusion bonding at Cu/Al interfaces. The results indicate that the thickness of the interfacial layer is temperature-dependent, with higher temperatures yielding larger thicknesses. At temperatures below 750 K, the interface thickness is found to increase in a stepwise manner as a function of time. At temperatures above 750 K, the thickness increases rapidly and smoothly. When surface roughness is present, the bonding process consists of three stages. In the first stage, surfaces deform under stress, resulting in increased contact areas. The second stage involves significant plastic deformation at the interface as temperature increases, resulting in the disappearance of interstices and full contact of the surface pair. The last stage entails the diffusion of atoms under constant temperature. The bonded specimens show tensile strengths reaching 88% of the ideal Cu/Al contact strength. (c) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Non-aqueous phase liquid behavior in the subsurface: Transportation, source zone characterization and remediation

Contaminant behaviour in soils and fractured rock is very complex, not least because of the heterogeneity of the subsurface environment. For non-aqueous phase liquids (NAPLs), a liquid density contrast and interfacial tension between the contaminant and interstitial fluid adds to the complexity of behaviour, increasing the difficulty of predicting NAPL behaviour in the subsurface. This paper outlines the need for physical model tests that can improve fundamental understanding of NAPL behaviour in the subsurface, enhance risk assessments of NAPL contaminated sites, reduce uncertainty associated with NAPL source remediation and improve current technologies for NAPL plume remediation. Four case histories are presented to illustrate physical modelling approaches that have addressed problems associated with NAPL transport, remediation and source zone characterization. © 2006 Taylor & Francis Group, London.

Micromechanics analysis of particulate-reinforced composites and their failure mechanisms

Stress fields and failure mechanisms have been investigated in composites with particles either surface treated or untreated under uniaxial tension. Previous experimental observation of failure mechanisms in a composite with untreated particles showed that tensile cracks occurred mostly at the polar region of the particle and grew into interfacial debonding. In a composite with surface-treated particles, however, shear yielding and shear cracking proceeded along the interphase-matrix interface at the polar area of the matrix and thus may improve the mechanical behaviour of the material. The finite element calculations showed that octahedral shear stress at the polar and longitudinal areas of the particle treated by coupling agents is much larger than that of materials with untreated particles, and the shear stress distribution around the interface is sensitive to the interphase property. The results suggest that a th ree-phase model can describe the composites with surface-treated fillers.

Micromechanics analyses of interface crack

A new mechanics model based on Peierls concept is presented in this paper, which can clearly characterize the intrinsic features near a tip of an interfacial crack. The stress and displacement fields are calculated under general combined tensile and shear loadings. The near tip stress fields show some oscillatory behaviors but without any singularity and the crack faces open completely without any overlapping when remote tensile loading is comparable with remote shear loading. A fracture criterion for predicting interface toughness has been also proposed, which takes into account for the shielding effects of emitted dislocations. The theoretical toughness curve gives excellent prediction, as compared with the existing experiment data.

Three-dimensional finite element analysis of composites with coated spherical inclusions

A three-dimensional finite element analysis has been used to determine the internal stresses in a three-phase composite. The stresses have been determined for a variety of interphase properties, the thicknesses of the interphase and the volume fractions of particles. Young's modulus has been calculated from a knowledge of these stresses and the applied deformation. The calculations show that stress distributions in the matrix and the mechanical properties are sensitive to the interphase property in the three-phase composites. The interfacial stresses in the three-dimensional analysis are in agreement with results obtained by an axisymmetric analysis. The predicted bulk modulus in three-dimensional analysis agrees well with the theoretical solution obtained by Qui and Weng, but it presents a great divergence from that in axisymmetric analyses. An investigation indicates that this divergence may be caused by the difference in the unit cell structure between two models. A comparison of the numerically predicted bulk and shear modulus for two-phase composites with the theoretical results indicates that the three-dimensional analysis gives quite satisfactory results.

Air flow over a mountain and the convective boundary-layer

In this paper, the analytical model coupling the convective boundary layer (CBL) with the free atmosphere developed by Qi and Fu (1992) is improved. And by this improved model, the interaction between airflow over a mountain and the CBL is further discussed. The conclusions demonstrate: (1) The perturbation potential temperatures in the free atmosphere can counteract the effect of orographic thermal forcing through entraining and mixing in the CBL. If u(M)BAR > u(F)BAR, the feedback of the perturbation potential temperatures in the free atmosphere is more important than orographic thermal forcing, which promotes the effect of interfacial waves. If u(M)BAR < u(F)BAR, orographic thermal forcing is more important, which makes the interfacial height and the topographic height identical in phase, and the horizontal speeds are a maximum at the top of the mountain. (2) The internal gravity waves propagating vertically in the free atmosphere cause a strong downslope wind to become established above the lee slope in the CBL and result in the hydraulic jump at the top of the CBL. (3) With the CBL deepening, the interfacial gravity waves induced by the potential temperature jump at the top of the CBL cause the airflow in the CBL to be subcritical.

Effect of phase-transformation on mechanical-behavior of dual-phase steel plate

The mechanical behavior of dual phase steel plates is affected by internal stresses created during martensite transformation. Analytical modelling of this effect is made by considering a unit cell made of martensite inclusion in a ferrite matrix. A large strain finite element analysis is then performed to obtain the plane stress deformation state. Displayed numerically are the development of the plastic zone and distribution of local state of stress and strain. Studied also are the shape configuration of the martensite (hard-phase) that influences the interfacial condition as related to stress transmission and damage. Internal stresses are found to enhance the global flow stress after yield initiation in the ferrite matrix. Good agreement is obtained between the analytical results and experimental observations.

Stress-distribution around a rigid line in dissimilar media

The elastic plane problem of a rigid line inclusion between two dissimilar media was considered. By solving the Riemann-Hilbert problem, the closed-form solution was obtained and the stress distribution around the rigid line was investigated. It was found that the modulus of the singular behavior of the stress remains proportional to the inverse square root of the distance from the rigid line end, but the stresses possess a pronounced oscillatory character as in the case of an interfacial crack tip.

Crack extension and kinking in laminates and bicrystals

Singular fields at the tip of an interface crack in anisotropic solids are reviewed with emphasis on establishing a framework to quantify fracture resistance under mixed mode conditions. The concepts of mode mixity and surface toughness are unified by using generalized interface traction components. The similarity between the anisotropic theory and existing isotropic theory is shown. Explicit formulae are given for misoriented orthotropic bimaterials with potential applications envisioned including composite laminates and semiconductor crystals. Competition between crack extension along the interface and kinking into the substrate is investigated using a boundary layer formulation. Several case studies reveal the role of anisotropy. An explicit complex variable representation for orthotropic materials and a solution to a dislocation interacting with a crack are presented in two self-contained Appendices.

测量镀铬层界面韧性的激光屈曲法

为了测量强界面电镀铬层的界面韧性，利用连续CO_2激光器对钢基体上的电镀铬层表面进行循环扫描实验。结果表明：该种加热方式能够诱发铬层沿激光扫描方向呈周期性分布的屈曲变形。在此基础上，结合涂层屈曲变形理论，提出测量镀铬层界面韧性的激光屈曲法。该方法只需对一个屈曲单元的最大屈曲高度和屈曲半长进行测量，就可给出界面韧性。作为应用举例，利用该方法对上述镀铬层／钢基体结构界面韧性进行了测量。

测量界面软铬层力学性质的纳米压入法

为了测量双层铬的界面软铬层力学性质，提出了化学腐蚀基体法，通过溶解掉基体制备没有基体支撑的自由铬层，将在横截面内线状显示的界面转化为界面表面（铬层与基体相连接的面），避免了横截面不能显示界面表面的缺点。对界面表面进行纳米压入实验和借助于表征薄膜力学性质的表面压入能量法，测得了描述界面软铬层力学性质的弹性模量和压入弹、塑性功等参数。

Structural relaxation and chain dynamics in polymer melts : a computational investigation on the role of the intramolecular barriers

149 p. : il. col.

Oscillatory Instability of Rayleigh-Marangoni-Benard Convection in Two-Layer System

The convective instabilities in two or more superposed layers heated from below were studied extensively by many scientists due to several interfacial phenomena in nature and crystal growth application. Most works of them were performed mainly on the instability behaviors induced only by buoyancy force, especially on the oscillatory behavior at onset of convection (see Gershuni et. Al.(1982), Renardy et. Al. (1985,2000), Rasenat et. Al. (1989), and Colinet et. Al.(1994)) . But the unstable situations of multi-layer liquid convection will become more complicated and interesting while considering at the same time the buoyancy effect combined with thermocapillary effect. This is the case in the gravity reduced field or thin liquid layer where the thermocapillary effect is as important as buoyancy effect. The objective of this study was to investigate theoretically the interaction between Rayleigh-Bénard instability and pure Marangoni instability in a two-layer system, and more attention focus on the oscillatory instability both at the onset of convection and with increasing supercriticality. Oscillatory behavious of Rayleigh-Marangoni-Bénard convective instability (R-M-B instability) and flow patterns are presented in the two-layer system of Silicon Oil (10cSt) over Fluorinert (FC70) for a larger various range of two-layer depth ratios (Hr=Hupper/Hdown) from 0.2 to 5.0. Both linear instability analysis and 2D numerical simulation (A=L/H=10) show that the instability of the system depends strongly on the depth ratio of two-layer liquids. The oscillatory instability regime at the onset of R-M-B convection are found theoretically in different regions of layer thickness ratio for different two-layer depth H=12,6,4,3mm. The neutral stability curve of the system displaces to right while we consider the Marangoni effect at the interface in comparison with the Rayleigh-Bénard instability of the system without the Marangoni effect (Ma=0). The numerical results show different regimes of the developing of convection in the two-layer system for different thickness ratios and some differences at the onset of pure Marangoni convection and the onset of Rayleigh-Bénard convections in two-layer liquids. Both traveling wave and standing wave were detected in the oscillatory instability regime due to the competition between Rayleigh-Bénard instability and Marangoni effect. The mechanism of the standing wave formation in the system is presented numerically in this paper. The oscillating standing wave results in the competition of the intermediate Marangoni cell and the Rayleigh convective rolls. In the two-layer system of 47v2 silicone oil over water, a transition form the steady instability to the oscillatory instability of the Rayleigh-Marangoni-Bénard Convection was found numerically above the onset of convection for ε=0.9 and Hr=0.5. We propose that this oscillatory mechanism is possible to explain the experimental observation of Degen et. Al.(1998). Experimental work in comparison with our theoretical findings on the two-layer Rayleigh-Marangoni-Bénard convection with thinner depth for H<6mm will be carried out in the near future, and more attention will be paid to new oscillatory instability regimes possible in the influence of thermocapillary effects on the competition of two-layer liquids

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.

Comparisons of static, quasi-static and dynamic 3D porous media scale network models for two-phase immiscible flow in porous media

A dynamic 3D pore-scale network model is formulated for investigating the effect of interfacial tension and oil-water viscosity during chemical flooding. The model takes into account both viscous and capillary forces in analyzing the impact of chemical properties on flow behavior or displacement configuration, while the static model with conventional invasion percolation algorithm incorporates the capillary pressure only. From comparisons of simulation results from these models. it indicates that the static pore scale network model can be used successfully when the capillary number is low. With the capillary increases due to the enhancement of water viscosity or decrease of interfacial tension, only the quasi-static and dynamic model can give insight into the displacement mechanisms.