The Influence of Grain Size and Temperature on the mechanical Deformation of Nanocrystalline Materials: Molecular Dynamics Simulation

Nanocrystalline (nc) materials are characterized by a typical grain size of 1-100nm. The uniaxial tensile deformation of computer-generated nc samples, with several average grain sizes ranging from 5.38 to 1.79nm, is simulated by using molecular dynamics with the Finnis-Sinclair potential. The influence of grain size and temperature on the mechanical deformation is studied in this paper. The simulated nc samples show a reverse Hall-Petch effect. Grain boundary sliding and motion, as well as grain rotation are mainly responsible for the plastic deformation. At low temperatures, partial dislocation activities play a minor role during the deformation. This role begins to occur at the strain of 5%, and is progressively remarkable with increasing average grain size. However, at elevated temperatures no dislocation activity is detected, and the diffusion of grain boundaries may come into play.

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.

The scattering of general SH plane wave by interface crack between two dissimilar viscoelastic bodies

The scattering of general SH plane wave by an interface crack between two dissimilar viscoelastic bodies is studied and the dynamic stress,intensity factor at the crack-tip is computed. The scattering problem can be decomposed into two problems: one is the reflection and refraction problem of general SH plane waves at perfect interface (with no crack); another is the scattering problem due to the existence of crack. For the first problem, the viscoelastic wave equation, displacement and stress continuity conditions across the interface are used to obtain the shear stress distribution at the interface. For the second problem, the integral transformation method is used to reduce the scattering problem into dual integral equations. Then, the dual integral equations are transformed into the Cauchy singular integral equation of first kind by introduction of the crack dislocation density function. Finally, the singular integral equation is solved by Kurtz's piecewise continuous function method. As a consequence, the crack opening displacement and dynamic stress intensity factor are obtained. At the end of the paper, a numerical example is given. The effects of incident angle, incident frequency and viscoelastic material parameters are analyzed. It is found that there is a frequency region for viscoelastic material within which the viscoelastic effects cannot be ignored.

Interface crack problems with strain gradient effects

In this paper, the strain gradient theory proposed by Chen and Wang (2001 a, 2002b) is used to analyze an interface crack tip field at micron scales. Numerical results show that at a distance much larger than the dislocation spacing the classical continuum plasticity is applicable; but the stress level with the strain gradient effect is significantly higher than that in classical plasticity immediately ahead of the crack tip. The singularity of stresses in the strain gradient theory is higher than that in HRR field and it slightly exceeds or equals to the square root singularity and has no relation with the material hardening exponents. Several kinds of interface crack fields are calculated and compared. The interface crack tip field between an elastic-plastic material and a rigid substrate is different from that between two elastic-plastic solids. This study provides explanations for the crack growth in materials by decohesion at the atomic scale.

Nonuniformity Effect of Surface-Nanocrystalline Materials in Nanoindentation Test

In the present research, microstructures of the surface-nanocrystalline Al alloy material are observed and measured based on the transmission electron microscopy (TEM) technique, and the corresponding mechanical behaviors are investigated experimentally and theoretically. In the experimental research, the nanoindentation test method is used, and the load and microhardness curves are measured, which strongly depend on the grain size and grain size nonuniformity. Two kinds of the nanoindentation test methods are adopted: the randomly selected loading point method and the continuous stiffness method. In the theoretical modeling, based on the microstructure characteristics of the surface-nanocrystalline Al alloy material, a dislocation pile-up model considering the grain size effect and based on the Mott theory is presented and used. The hardness-indent depth curves are predicted and modeled.

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.

Atomistic Simulations of the Mechanical Behavior of Fivefold Twinned Nanowires

Atomistic simulations are used to investigate the mechanical behavior of metal nanowire with fivefold twinned structure. The twinned nanowires were reported in recent experiments [B. Wu et al., Nano Lett. 6, 468 (2006)]. In the present paper, we find that the yield strength of the fivefold twinned Cu nanowire is 1.3 GPa higher than that of the face-centered-cubic (fcc) < 110 > single crystalline Cu nanowire without fivefold twinned structure, and the microstructure-hardened mechanism is primarily due to the twinned boundaries which act as the barriers for the dislocation emission and propagation. However, we also find that the fivefold twinned Cu nanowire has lower ductility than that of fcc < 110 > single crystalline Cu nanowire without the twinned structure, and this is mainly attributed to the scarcity and low mobility of dislocations. In addition, in our simulations the effect of preexisting stacking faults and dislocations on strength of the fivefold twinned nanowires is investigated.

A New Deformation Theory with Strain Gradient Effects

A new phenomenological deformation theory with strain gradient effects is proposed. This theory, which belongs to nonlinear elasticity, fits within the framework of general couple stress theory and involves a single material length scale l. In the present theory three rotational degrees of freedom omega(i) are introduced in addition to the conventional three translational degrees of freedom u(i). omega(i) has no direct dependence upon ui and is called the micro-rotation, i.e. the material rotation theta(i) plus the particle relative rotation. The strain energy density is assumed to only be a function of the strain tensor and the overall curvature tensor, which results in symmetric Cauchy stresses. Minimum potential principle is developed for the strain gradient deformation theory version. In the limit of vanishing 1, it reduces to the conventional counterparts: J(2) deformation theory. Equilibrium equations, constitutive relations and boundary conditions are given in details. Comparisons between the present theory and the theory proposed by Shizawa and Zbib (Shizawa, K., Zbib, H.M., 1999. A thermodynamical theory gradient elastoplasticity with dislocation density Censor: fundamentals. Int. J. Plast. 15, 899) are given. With the same hardening law as Fleck et al. (Fleck, N.A., Muller, G.H., Ashby, M.F., Hutchinson, JW., 1994 Strain gradient plasticity: theory and experiment. Acta Metall. Mater 42, 475), the new strain gradient deformation theory is used to investigate two typical examples, i.e. thin metallic wire torsion and ultra-thin metallic beam bend. The results are compared with those given by Fleck et al, 1994 and Stolken and Evans (Stolken, J.S., Evans, A.G., 1998. A microbend test method for measuring the plasticity length scale. Acta Mater. 46, 5109). In addition, it is explained for a unit cell that the overall curvature tensor produced by the overall rotation vector is the work conjugate of the overall couple stress tensor. (C) 2002 Elsevier Science Ltd. All rights reserved.

Low-Dimensional Dynamical Systems for a Wake-Type Shear Flow with Vortex Dislocations

Low-dimensional systems are constructed to investigate dynamics of vortex dislocations in a wake-type shear flow. High-resolution direct numerical simulations are employed to obtain flow snapshots from which the most energetic modes are extracted using proper orthogonal decomposition (POD). The first 10 modes are classified into two groups. One represents the general characteristics of two-dimensional wake-type shear flow, and the other is related to the three-dimensional properties or non-uniform characteristics along the span. Vortex dislocations are generated by these two kinds of coherent structures. The results from the first 20 three-dimensional POD modes show that the low- dimensional systems have captured the basic properties of the wake-type shear flow with vortex dislocation, such as two incommensurable frequencies and their beat frequency.

Deformation behavior and microstructure effect in 2124Al/SiCp composite

Dynamic compression tests were performed by means of a Split Hopkinson Pressure Bar (SHPB). Test materials were 2124Al alloys reinforced with 17% volume fraction of 3, 13 and 37 μm SiC particles, respectively. Under strain rate ε = 2100 l/s, SiC particles have a strong effect on σ_0.2 of the composites and the σ_0.2 increases with different SiC particle size in the following order: 2124Al-alloy → 124Al/SiC_p (37 μm) → 2124Al/SiC_p (13 μm) → 2124Al/SiC_p (3 μm), and the strain hardening of the composites depends mainly on the strain hardening of matrix, 2124A1 alloy. The results of dimensional analysis present that the flow stress of these composites not only depends on the property of reinforcement and matrix but also relates to the microstructure scale, matrix grain size, reinforcement size, the distance between reinforcements and dislocations in matrix. The normalized flow stress here is a function of inverse power of the edge-edge particle spacing, dislocation density and matrix grain size. Close-up observation shows that, in the composite containing SiC particles (3 μm), localized deformation formed readily comparing with other materials under the same loading condition. Microscopic observations indicate that different plastic flow patterns occur within the matrix due to the presence of hard particles with different sizes.

Strain-Induced Grain Refinement of Cobalt During Surface Mechanical Attrition Treatment

The microstructural evolution during surface mechanical attrition treatment of cobalt (a mixture of hexagonal close packed (hep) and face-centered cubic (fcc) phases) was investigated. In order to reveal the mechanism of grain refinement and strain accommodation. The microstructure was systematically characterized by both cross-sectional and planar-view transmission electron microscopy. In the hcp phase, the process of grain refinement. Accompanied by an increase in strain imposed in the surface layer. Involved: (1) the onset of 110 111 deformation twinning, (2) the operation of (1 120) 110 1 0} prismatic and (1 120) (000 1) basal slip, leading to the formation of low-angle dislocation boundaries, and (3) the successive subdivision of grains to a finer and finer scale. Ressulting in the formation of highly misoriented nanocrystalline grains. Moreover. The formation of nanocrystalliies at the grain boundary and triple junction was also observed to occur concurrently with straining. By contrast. The fec phase accommodated strain in a sequence as follows: (1) slip of dislocations by forming intersecting planar arrays of dislocations, (2) {1 1 1} deformation twinning, and (3) the gamma(fcc) --> epsilon(hcp) martensitic phase transformation. The mechanism of grain refinement was interpreted in terms of the structural subdivision of grains together with dynamic recrystallization occurring in the hep phase and the gamma --> E: martensitic transformation in the fcc phase as well.

Measurement of Microscopic Deformation in a Cualni Single Crystal Alloy by Nanoindentation with a Heating Stage

Thermally induced recovery of nanoindents in a CUAINi single crystal shape memory alloy was studied by nanoindentation in conjunction with a heating stage. Nanoindents formed by a Berkovich indenter at room temperature were heated to 40, 70 and 100 degrees C. Partial recovery was observed for the nanoindents. The recovery ratio depended on the heating temperature. Indentation of CuAlNi can induce inelastic deformation via dislocation motion and a stress-induced matensitic transformation. The percentages of dislocation-induced plastic strain would affect the thermal deformation of CuAlNi, because the induced dislocations could stabilize stress-induced martensite plates even when the temperature above austenite finish temperature, A(f). When the applied indentation load is low (less than 10,000 mu N), the shape recovery strain is predominant, compared with the dislocation-induced plastic strain. Therefore, the degree of indent recovery in the depth direction, delta(D), is high (about 0.7-0.8 at 100 degrees C).

Finite Boundary Effects in Problem of a Crack Perpendicular to and Terminating at a Bimaterial Interface

In this paper, the problem of a crack perpendicular to and terminating at an interface in bimaterial structure with finite boundaries is investigated. The dislocation simulation method and boundary collocation approach are used to derive and solve the basic equations. Two kinds of loading form are considered when the crack lies in a softer or a stiffer material, one is an ideal loading and the other one fits to the practical experiment loading. Complete solutions of the stress field including the T stress are obtained as well as the stress intensity factors. Influences of T stress on the stress field ahead of the crack tip are studied. Finite boundary effects on the stress intensity factors are emphasized. Comparisons with the problem presented by Chen et al. (Int. J. Solids and Structure, 2003, 40, 2731-2755) are discussed also.

Nanocrystalline Formation During Mechanical Attrition of Cobalt

The nanocrystalline (nc) formation was studied in cobalt (a mixture of c (hexagonal close packed) and gamma (face-centered cubic) phases) subjected to surface mechanical attrition treatment. Electron microscopy revealed the operation of {10(1) over bar 0}< 11(2) over bar 0 > prismatic and {0001}< 11(2) over bar 0 > basal slip in the E phase, leading to the successive subdivision of grains to nanoscale. In particular, the dislocation splitting into the stacking faults was observed to occur in ultrafine and nc grains. By contrast, the planar dislocation arrays, twins and martensites were evidenced in the gamma phase. The strain-induced gamma ->epsilon martensitic transformation was found to progress continuously in ultrafine and nc grains as the strain increased. The nc formation in the gamma phase was interpreted in terms of the martensitic transformation and twinning.

Stress state in front of a crack perpendicular to bimaterial interface

Using a dislocation simulation approach, the basic equation for a crack perpendicular to a bimaterial interface is formulated in this paper. A novel expansion method is proposed for solving the problem. The complete solution for the problem, including the T stress ahead of the crack tip and the stress intensity factors are presented. The stress field characteristics are analyzed in detail. It is found that ahead of the crack tip and near the interface the normal stress, perpendicular to the crack plane, sigma(x), is characterized by the K fields and the normal stress sigma(y) is dominated by the K field plus T stress in the region of 0 < r/b < 0.4 for b/a(0) less than or equal to 0.1, where b is the distance from the crack tip to the interface.