Simulations of Mechanical Behavior of Polycrystalline Copper with Nano-Twins

Mechanical behavior and microstructure evolution of polycrystalline copper with nano-twins were investigated in the present work by finite element simulations. The fracture of grain boundaries are described by a cohesive interface constitutive model based on the strain gradient plasticity theory. A systematic study of the strength and ductility for different grain sizes and twin lamellae distributions is performed. The results show that the material strength and ductility strongly depend on the grain size and the distribution of twin lamellae microstructures in the polycrystalline copper.

Comparison Of Shear Banding In Bmgs Due To Thermal-Softening And Free Volume Creation

This paper reports a comparative study of shear banding in BMGs resulting from thermal softening and free volume creation. Firstly, the effects of thermal softening and free volume creation on shear instability are discussed. It is known that thermal softening governs thermal shear banding, hence it is essentially energy related. However, compound free volume creation is the key factor to the other instability, though void-induced softening seems to be the counterpart of thermal softening. So, the driving force for shear instability owing to free volume creation is very different from the thermally assisted one. In particular, long wave perturbations are always unstable owing to compound free volume creation. Therefore, the shear instability resulting from coupled compound free volume creation and thermal softening may start more like that due to free volume creation. Also, the compound free volume creation implies a specific and intrinsic characteristic growth time of shear instability. Finally, the mature shear band width is governed by the corresponding diffusions (thermal or void diffusion) within the band. As a rough guide, the dimensionless numbers: Thermal softening related number B, Deborah number (denoting the relation of instability growth rate owing to compound free volume and loading time) and Lewis number (denoting the competition of different diffusions) show us their relative importance of thermal softening and free volume creation in shear banding. All these results are of particular significance in understanding the mechanism of shear banding in bulk metallic glasses (BMGs).

Transitions Between Different Contact Models

The transitions between the different contact models which include the Hertz, Bradley, Johnson-Kendall-Roberts (JKR), Derjaguin-Muller-Toporov (DMT) and Maugis-Dugdale (MD) models are revealed by analyzing their contact pressure profiles and surface interactions. Inside the contact area, surface interaction/adhesion induces tensile contact pressure around the contact edge. Outside the contact area, whether or not to consider the surface interaction has a significant influence on the contact system equilibrium. The difference in contact pressure due to the surface interaction inside the contact area and the equilibrium influenced by the surface interaction outside the contact area are physically responsible for the different results of the different models. A systematic study on the transitions between different models is shown by analyzing the contact pressure profiles and the surface interactions both inside and outside the contact area. The definitions of contact radius and the flatness of contact surfaces are also discussed. (C) Koninklijke Brill NV, Leiden, 2008.

Peeling Experiments Of Ductile Thin Films Along Ceramic Substrates - Critical Assessment Of Analytical Models

Two types of peeling experiments are performed in the present research. One is for the Al film/Al2O3 substrate system with an adhesive layer between the film and the substrate. The other one is for the Cu film/Al2O3 substrate system without adhesive layer between the film and the substrate, and the Cu films are electroplated onto the Al2O3 substrates. For the case with adhesive layer, two kinds of adhesives are selected, which are all the mixtures of epoxy and polyimide with mass ratios 1:1.5 and 1:1, respectively. The relationships between energy release rate, the film thickness and the adhesive layer thickness are measured during the steady-state peeling process. The effects of the adhesive layer on the energy release rate are analyzed. Using the experimental results, several analytical criteria for the steady-state peeling based on the bending model and on the two-dimensional finite element analysis model are critically assessed. Through assessment of analytical models, we find that the cohesive zone criterion based on the beam bend model is suitable for a weak interface strength case and it describes a macroscale fracture process zone case, while the two-dimensional finite element model is effective to both the strong interface and weak interface, and it describes a small-scale fracture process zone case. (C) 2007 Elsevier Ltd. All rights reserved.

Molecular/Cluster Statistical Thermodynamics Methods To Simulate Quasi-Static Deformations At Finite Temperature

The rapid evolution of nanotechnology appeals for the understanding of global response of nanoscale systems based on atomic interactions, hence necessitates novel, sophisticated, and physically based approaches to bridge the gaps between various length and time scales. In this paper, we propose a group of statistical thermodynamics methods for the simulations of nanoscale systems under quasi-static loading at finite temperature, that is, molecular statistical thermodynamics (MST) method, cluster statistical thermodynamics (CST) method, and the hybrid molecular/cluster statistical thermodynamics (HMCST) method. These methods, by treating atoms as oscillators and particles simultaneously, as well as clusters, comprise different spatial and temporal scales in a unified framework. One appealing feature of these methods is their "seamlessness" or consistency in the same underlying atomistic model in all regions consisting of atoms and clusters, and hence can avoid the ghost force in the simulation. On the other hand, compared with conventional MD simulations, their high computational efficiency appears very attractive, as manifested by the simulations of uniaxial compression and nanoindenation. (C) 2008 Elsevier Ltd. All rights reserved.

Anisotropic Deformation Of Polystyrene Particles By Mev Au Ion Irradiation

MeV An irradiation leads to a shape change of polystyrene (PS) and SiO2 particles from spherical to ellipsoidal, with an aspect ratio that can be precisely controlled by the ion fluence. Sub-micrometer PS and SiO2 particles were deposited on copper substrates and irradiated with Au ions at 230 K, using an ion energy and fluence ranging from 2 to 10 MeV and 1 x 10(14) ions/cm(2) to 1 x 10(15) ions/cm(2). The mechanisms of anisotropic deformation of PS and SiO2 particles are different because of their distinct physical and chemical properties. At the start of irradiation, the volume of PS particles decrease, then the aspect ratio increases with fluence, whereas for SiO2 particles the volume remains constant. (C) 2008 Elsevier B.V. All rights reserved.

The Capillary Force In Micro- And Nano-Indentation With Different Indenter Shapes

The influence of the indenter shapes and various parameters on the magnitude of the capillary force is studied on the basis of models describing the wet adhesion of indenters and substrates joined by liquid bridges. In the former, we consider several shapes, such as conical, spherical and truncated conical one with a spherical end. In the latter, the effects of the contact angle, the radius of the wetting circle, the volume of the liquid bridge, the environmental humidity, the gap between the indenter and the substrate, the conical angle, the radius of the spherical indenter, the opening angle of the spherical end in the truncated conical indenter are included. The meniscus of the bridge is described using a circular approximation, which is reasonable under some conditions. Different dependences of the capillary force on the indenter shapes and the geometric parameters are observed. The results can be applicable to the micro- and nano-indentation experiments. It shows that the measured hardness is underestimated due to the effect of the capillary force. (c) 2008 Elsevier Ltd. All rights reserved.

Non-Slipping Jkr Model For Transversely Isotropic Materials

A generalized plane strain JKR model is established for non-slipping adhesive contact between an elastic transversely isotropic cylinder and a dissimilar elastic transversely isotropic half plane, in which a pulling force acts on the cylinder with the pulling direction at an angle inclined to the contact interface. Full-coupled solutions are obtained through the Griffith energy balance between elastic and surface energies. The analysis shows that, for a special case, i.e., the direction of pulling normal to the contact interface, the full-coupled solution can be approximated by a non-oscillatory one, in which the critical pull-off force, pull-off contact half-width and adhesion strength can be expressed explicitly. For the other cases, i.e., the direction of pulling inclined to the contact interface, tangential tractions have significant effects on the pull-off process, it should be described by an exact full-coupled solution. The elastic anisotropy leads to an orientation-dependent pull-off force and adhesion strength. This study could not only supply an exact solution to the generalized JKR model of transversely isotropic materials, but also suggest a reversible adhesion sensor designed by transversely isotropic materials, such as PZT or fiber-reinforced materials with parallel fibers. (c) 2007 Elsevier Ltd. All rights reserved.

Dynamic mode I perturbation solution for a moving crack unsteadily

Rice et al. (Jounal of Mechanics and Physics of Solids 42, 813-843) analyze the propagation of a planar crack with a nominally straight front in a model elastic solid with a single displacement component. Using the form of Willis er al. (Journal of the Mechanics and Physics of Solids 43, 319-341), of dynamic mode I weight functions for a moving crack, we address that problem solved by Rice ei al. in the 3D context of elastodynamic theory. Oscillatory crack tip motion results from constructive-destructive interference of stress intensity waves. Those waves, including system of the dilatational, shear and Rayleigh waves, interact on each other and with moving edge of crack, can lead to continuing fluctuations of the crack front and propagation velocity. (C) 1997 Elsevier Science Ltd.

On the mechanism of void growth and the effect of straining mode in ductile materials

Finite element analysis is employed to investigate void growth embedded in elastic-plastic matrix material. Axisymmetric and plane stress conditions are considered. The simulation of void growth in a unit cell model is carried out over a wide range of triaxial tensile stressing or large plastic straining for various strain hardening materials to study the mechanism of void growth in ductile materials. Triaxial tension and large plastic strain encircling around the void are found to be of most importance for driving void growth. The straining mode of incremental loading which favors the necessary strain concentration around void for its growth can be characterized by the vanishing condition of a parameter called "the third invariant of generalized strain rate". Under this condition, it accentuates the internal strain concentration and the strain energy stored/dissipated within the material layer surrounding the void. Experimental results are cited to justify the effect of this loading parameter. (C) 2000 Elsevier Science Ltd. All rights reserved.

Quantum Monte Carlo study of the CO interaction with a dimer model surface for Cr(110)

The chemisorption of CO on a Cr( 110) surface is investigated using the quantum Monte Carlo method in the diffusion Monte Carlo (DMC) variant and a model Cr2CO cluster. The present results are consistent with the earlier ab initio HF study with this model that showed the tilted/ near-parallel orientation as energetically favoured over the perpendicular arrangement. The DMC energy difference between the two orientations is larger (1.9 eV) than that computed in the previous study. The distribution and reorganization of electrons during CO adsorption on the model surface are analysed using the topological electron localization function method that yields electron populations, charge transfer and clear insight on the chemical bonding that occurs with CO adsorption and dissociation on the model surface.

Formation of adiabatic shear band in metal matrix composites

A modified single-pulse loading split Hopkinson torsion bar (SSHTB) is introduced to investigate adiabatic shear banding behavior in SiCp particle reinforced 2024 Al composites in this work. The experimental results showed that formation of adiabatic shear band in the composite with smaller particles is more readily observed than that in the composite with larger particles. To characterize this size-dependent deformation localization behavior of particle reinforced metal matrix composites (MMCp), a strain gradient dependent shear instability analysis was performed. The result demonstrated that high strain gradient provides a deriving force for the formation of adiabatic shear banding in MMCp. (C) 2004 Elsevier Ltd. All rights reserved.

Effect of a laser pre-quenched steel substrate surface on the crack driving force in a coating-steel substrate system

A mechanical model of a coating/laser pre-quenched steel substrate specimen with a crack oriented perpendicular to the interface between the coating and the hardened layer is developed to quantify the effects of the residual stress and hardness gradient on the crack driving force in terms of the J-integral. It is assumed that the crack tip is in the middle of the hardened layer of the pre-quenched steel substrate. Using a composite double cantilever beam model, analytical solutions can be derived, and these can be used to quantify the effects of the residual stress and the hardness gradient resulting from the pre-quenched steel substrate surface on the crack driving force. A numerical example is presented to investigate how the residual compressive stress, the coefficient linking microhardness and yield strength and the Young's modulus ratio of the hardened layer to the coating influence the crack driving force for a given crack length. (C) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

A constitutive model for cavitation and cavity growth in rubber-like materials under arbitrary tri-axial loading

In this paper, we attempted to construct a constitutive model to deal with the phenomenon of cavitation and cavity growth in a rubber-like material subjected to an arbitrary tri-axial loading. To this end, we considered a spherical elementary representative volume in a general Rivlin's incompressible material containing a central spherical cavity. The kinematics proposed by [Hou, H.S., Abeyaratne, R., 1992. Cavitation in elastic and elastic-plastic solids. J. Mech. Phys. Solids 40, 571-722] was adopted in order to construct an approximate but optimal field. In order to establish a suitable constitutive law for this class of materials, we utilized the homogenisation technique that permits us to calculate the average strain energy density of the volume. The cavity growth was considered through a physically realistic failure criterion. Combination of the constitutive law and the failure criterion enables us to describe correctly the global behaviour and the damage evolution of the material under tri-axial loading. It was shown that the present models can efficiently reproduce different stress states, varying from uniaxial to tri-axial tensions, observed in experimentations. Comparison between predicted results and experimental data proves that the proposed model is accurate and physically reasonable. Another advantage is that the proposed model does not need special identification work, the initial Rivlin's law for the corresponding incompressible material is sufficient to form the new law for the compressible material resulted from cavitation procedure. (C) 2007 Elsevier Ltd. All rights reserved.

Wave propagation and the frequency domain Green's functions in viscoelastic Biot/squirt (BISQ) media

In this paper, we examine the characteristics of elastic wave propagation in viscoelastic porous media, which contain simultaneously both the Biot-flow and the squirt-flow mechanisms (BISQ). The frequency-domain Green's functions for viscoelastic BISQ media are then derived based on the classic potential function methods. Our numerical results show that S-waves are only affected by viscoelasticity, but not by squirt-flows. However, the phase velocity and attenuation of fast P-waves are seriously influenced by both viscoelasticity and squirt-flows; and there exist two peaks in the attenuation-frequency variations of fast P-waves. In the low-frequency range, the squirt-flow characteristic length, not viscoelasticity, affects the phase velocity of slow P-waves, whereas it is opposite in the high-frequency range. As to the contribution of potential functions of two types of compressional waves to the Green's function, the squirt-flow length has a small effect, and the effects of viscoelastic parameter are mainly in the higher frequency range. Crown Copyright (C) 2006 Published by Elsevier Ltd. All rights reserved.