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.

A Study of Size-Dependent Microindentation

We recently proposed a strain gradient theory to account for the size dependence of plastic deformation at micron and submicron length scales. The strain gradient theory includes the effects of both rotation gradient and stretch gradient such that the rotation gradient influences the material character through the interaction between the Cauchy stresses and the couple stresses; the stretch gradient measures explicitly enter the constitutive relations through the instantaneous tangent modulus. Indentation tests at scales on the order of one micron have shown that measured hardness increases significantly with decreasing indent size. In the present paper, the strain gradient theory is used to model materials undergoing small-scale indentations. A strong effect of including strain gradients in the constitutive description is found with hardness increasing by a factor of two or more over the relevant range behavior. Comparisons with the experimental data for polycrystalline copper and single crystal copper indeed show an approximately linear dependence of the square of the hardness, H 2, on the inverse of the indentation depth, 1/h, I.e., H-2 proportional to 1/h, which provides an important self-consistent check of the strain gradient theory proposed by the authors earlier.

The Size-Dependent Elastic Properties of Nanofilms with Surface Effects

Size-dependent elastic constants are investigated theoretically with reference to a nanoscale single-crystal thin film. A three-dimensional _3D_ model is presented with the relaxation on the surface of the nanofilm taken into consideration. The constitutive relation of the 3D model is derived by using the energy approach, and analytical expressions for the four nonzero elastic constants of the nanofilm are obtained. The size effects of the four elastic constants are then discussed, and the dependence of these elastic constants on the surface relaxation and the ambiguity in the definition of the thickness of the nanofilm are also analyzed. In addition, the elastic moduli of the nanofilm in two kinds of plane problem are obtained and discussed in the case of a special boundary condition.

Experimental and micromechanical study of size effects in the constrained deformation of metallic foams

Previous investigations have unveiled size effects in the strength of metallic foams under simple shear - the shear strength increases with diminishing specimen size, a phenomena similar to that shown by Fleck et al. (Acta Mat., 1994, Vol. 42, p. 475.) on the torsion tests of copper wires of various radii. In this study, experimental study of the constrained deformation of a foam layer sandwiched between two steel plates has been conducted. The sandwiched plates are subjected to combined shear and normal loading. It is found that measured yield loci of metallic foams in the normal and shear stress space corresponding to various foam layer thicknesses are self-similar in shape but their size increases as the foam layer thickness decreases. Moreover, the strains profiles across the foam layer thickness are parabolic instead of uniform; their values increase from the interfaces between the foam layer and the steel plates and reach their maximum in the middle of the foam layer, yielding boundary layers adjacent to the steel plates. In order to further explore the origin of observed size effects, micromechanics models have been developed, with the foam layer represented by regular and irregular honeycombs. Though the regular honeycomb model is seen to underestimate the size effects, the irregular honeycomb model faithfully captures the observed features of the constrained deformation of metallic foams.

Size effects in the constrained deformation of metallic foams

The constrained deformation of an aluminium alloy foam sandwiched between steel substrates has been investigated. The sandwich plates are subjected to through-thickness shear and normal loading, and it is found that the face sheets constrain the foam against plastic deformation and result in a size effect: the yield strength increases with diminishing thickness of foam layer. The strain distribution across the foam core has been measured by a visual strain mapping technique, and a boundary layer of reduced straining was observed adjacent to the face sheets. The deformation response of the aluminium foam layer was modelled by the elastic-plastic finite element analysis of regular and irregular two dimensional honeycombs, bonded to rigid face sheets; in the simulations, the rotation of the boundary nodes of the cell-wall beam elements was set to zero to simulate full constraint from the rigid face sheets. It is found that the regular honeycomb under-estimates the size effect whereas the irregular honeycomb provides a faithful representation of both the observed size effect and the observed strain profile through the foam layer. Additionally, a compressible version of the Fleck-Hutchinson strain gradient theory was used to predict the size effect; by identifying the cell edge length as the relevant microstructural length scale the strain gradient model is able to reproduce the observed strain profiles across the layer and the thickness dependence of strength. © 2002 Elsevier Science Ltd. All rights reserved.

The effect of hole size upon the strength of metallic and polymeric foams

Tensile and compressive tests have been performed on centre-hole panels, made from three types of metallic foams and two polymeric foams. In compression, the foams fail in a ductile, notch-insensitive manner, in support of a "net section strength" criterion. In tension, a ductile-brittle transition is observed for some of the foams at sufficiently large specimen sizes: for a small hole diameter the net section strength criterion is obeyed, whereas for a large hole a local stress criterion applies and the net section strength is reduced. For a number of the foams, the panel size was not sufficiently large to observe this ductile-brittle switch in behaviour. The predictions of a cohesive zone model are compared with the measured strengths and are found to be in good agreement. © 2001 Elsevier Science Ltd. All rights reserved.

Size Dependent Nanoindentation of a Soft Film on a Hard Substrate

Nanoindentation experiments on Al/glass systems show that, as the indentation depth increases, the hardness decreases during a shallow indentation, and increases when the indenter tip approaches the film–substrate interface. We associate the rise in hardness during two stages with the strong strain gradient effects, the first stage is related with the small scale effects and the second stage with the strain gradient between the indenter and the hard substrate. Using the strain gradient theory proposed by Chen and Wang and the classical plasticity theory, the observed nanoindentation behavior is modeled and analyzed by means of the finite element method, and it is found that the classical plasticity cannot explain the experiment results but the strain gradient theory can describe the experiment data at both shallow and deep indentation depths very well. The results prove that both the strain gradient effects and substrate effects exist in the nanoindentation of the film–substrate system.

Size Effects in Micro-bending Deformation of MEMS Devices Based on the Discrete Dislocation Theory

In the present research, the discrete dislocation theory is used to analyze the size effect phenomena for the MEMS devices undergoing micro-bending load. A consistent result with the experimental one in literature is obtained. In order to check the effectiveness to use the discrete dislocation theory in predicting the size effect, both the basic version theory and the updated one are adopted simultaneously. The normalized stress-strain relations of the material are obtained for different plate thickness or for different obstacle density. The prediction results are compared with experimental results.

Copurification of the Lac repressor with polyhistidine-tagged proteins in immobilized metal affinity chromatography.

One of the commonly used resins for immobilized metal affinity purification of polyhistidine-tagged recombinant proteins is TALON resin, a cobalt (II)--carboxymethylaspartate-based matrix linked to Sepharose CL-6B. Here, we show that TALON resin efficiently purifies the native form of Lac repressor, which represents the major contaminant when (His)(6)-tagged proteins are isolated from Escherichia coli host cells carrying the lacI(q) gene. Inspection of the crystal structure of the repressor suggests that three His residues (residues 163, 173, and 202) in each subunit of the tetramer are optimally spaced on an exposed face of the protein to allow interaction with Co(II). In addition to establishing a more efficient procedure for purification of the Lac repressor, these studies indicate that non-lacI(q)-based expression systems yield significantly purer preparations of recombinant polyhistidine-tagged proteins.

Size Effect and Geometrical Effect of Solids in Micro-Indentation Test

Micro-indentation tests at scales of the order of sub-micron show that the measured hardness increases strongly with decreasing indent depth or indent size, which is frequently referred to as the size effect. At the same time, at micron or sub-micron scale, another effect, which is referred to as the geometrical size effects such as crystal grain size effect, thin film thickness effect, etc., also influences the measured material hardness. However, the trends are at odds with the size-independence implied by the conventional elastic-plastic theory. In the present research, the strain gradient plasticity theory (Fleck and Hutchinson) is used to model the composition effects (size effect and geometrical effect) for polycrystal material and metal thin film/ceramic substrate systems when materials undergo micro-indenting. The phenomena of the "pile-up" and "sink-in" appeared in the indentation test for the polycrystal materials are also discussed. Meanwhile, the micro-indentation experiments for the polycrystal Al and for the Ti/Si_3N_4 thin film/substrate system are carried out. By comparing the theoretical predictions with experimental measurements, the values and the variation trends of the micro-scale parameter included in the strain gradient plasticity theory are predicted.

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.

Magnetic switching and anisotropy in nanomagnets: the influence of size and shape

Arrays of nanomagnets were fabricated out of Ni80Fe14Mo5 in the lateral size range 500-30nm and the thickness range 3-20nm. Elliptical, triangular, square, pentagonal and circular geometries were all considered. The magnetic properties of these nanomagnets were probed rapidly and non-invasively using a high sensitivity magneto-optical method.

A Molecular Dynamics Simulation: the Effect of Finite Size on the Thermal Conductivity in a Single Crystal Silicon

Non-equilibrium molecular dynamics (NEMD) simulations are performed to calculate thermal conductivity. The environment-dependent interatomic potential (EDIP) potential on crystal silicon is adopted as a model system. The issues are related to nonlinear response, local thermal equilibrium and statistical averaging. The simulation results by non-equilibrium molecular dynamics show that the calculated thermal conductivity decreases almost linearly as the film thickness reduced at the nanometre scale. The effect of size on the thermal conductivity is also obtained by a theoretic analysis of the kinetic theory and formulas of the heat capacity. The analysis reveals that the contributions of phonon mean free path (MFP) and phonon number in a finite cell to thermal conductivity are very important.

Effects of Particle Size on Dilute Particle Dispersion in a Karman Vortex Street Flow

It is shown that in a Karman vortex street flow, particle size influences the dilute particle dispersion. Together with an increase of the particle size, there is an emergence of a period-doubling bifurcation to a chaotic orbit, as well as a decrease of the corresponding basins of attraction. A crisis leads the attractor to escape from the central region of flow. In the motion of dilute particles, a drag term and gravity term dominate and result in a bifurcation phenomenon.