Tensile deformation mechanisms of the hierarchical structure consisting of both twin-free grains and nanotwinned grains

A series of large-scale molecular dynamics simulations have been performed to investigate the tensile properties and atomistic deformation mechanisms for the nanostructured Cu with three typical microstructures: the hierarchical structure consisting of both twin-free grains (d?=?70?nm) and grains with bundles of smaller nanotwins (d?=?70?nm, λ?=?10?nm), the fully nanograined structure and the fully nanotwinned structure. The average flow stress of the hierarchically structure is found to be higher than that calculated by rule of mixture. As compared with that of fully nanograined structure, the strength for the twin-free grains in the hierarchical structure is promoted and gives extra hardening due to the increased dislocation density and dislocation behaviours. It is also found that the nanotwin bundles are more deformable than the twin-free grains in the hierarchical structure according to the deviatoric strain invariant contour. This indicates that the fully nanograined structure cannot only be strengthened to a higher level, but also obtain better ductility by embedded with stronger bundles of smaller nanotwins. Thus, a superior strength–ductility synergy could be obtained in this kind of hierarchical structures, and this novel strategy has also been implemented in bulk austenitic steels or copper by recent experiments.     

On the ultra-high-strain rate shock deformation in copper single crystals: multiscale dislocation dynamics simulations

Multiscale dislocation dynamics plasticity (MDDP) calculations are carried out to simulate the mechanical response of copper single crystals that have undergone shock loading at high strain rates ranging from 1?×?10⁶ to 1?×?10¹⁰?s^?1. Plasticity mechanisms associated with both the activation of pre-existing dislocation sources and homogeneous nucleation of glide loops are considered. Our results show that there is a threshold strain rate of 10⁸?s^?1 at which the deformation mechanism changes from source activation to homogeneous nucleation. It is also illustrated that the pressure dependence on strain rate follows a one-fourth power law up to 10⁸?s^?1 beyond which the relationship assumes a one-half power law. The MDDP computations are in good agreement with recent experimental findings and compare well with the predictions of several dislocation-based continuum models.     

Dislocation motion in silicon: the shuffle-glide controversy revisited

Considering recently computed formation and migration energies of kinks on nondissociated dislocations, we have compared the relative mobilities of glide partial and shuffle perfect dislocations in silicon. We found that the latter should be more mobile over all the available stress range, invalidating the model of a stress driven transition between shuffle and glide dislocations. We discuss several hypotheses that may explain the experimental observations.     

Thermal stability of nanocrystalline fcc and hcp Ni(Si) synthesized by mechanical alloying of Ni90Si10

The thermal stability of nanocrystalline fcc and hcp Ni(Si), obtained by mechanical alloying of Ni₉₀Si₁₀, has been studied. The allotropic transformation from fcc to hcp Ni(Si) is accompanied by a volume expansion of 8.6% and is observed when fcc Ni(Si) reaches a critical crystallite size of 10nm. The hcp phase transforms to stable fcc Ni(Si) at 573K. It has been identified that the lattice distortion in nanometre-sized crystallites from the equilibrium configuration and the decrease in the interfacial energy with grain refinement act as self obstacles in controlling the grain growth of nanocrystalline materials.     

HREM examination of [101] screw dislocations in Ni3Al

Abstract

The dissociation of [101] screw dislocations in Ni³Al has been examined using high-resolution electron microscopy. [101] superdislocations are found to be dissociated into (a/2)[101] superpartial dislocations on the (010) cube cross-slip plane. These superpartials in turn dissociate into complex stacking faults on the (111) or (111) which are bounded by Shockley partials in agreement with theoretical predictions. The degree of antiphase boundary spreading on (010) was found to increase with deformation temperature while the superpartial core dissociations remain unchanged.     

Two different types of shear-deformation behaviour in Au–Cu multilayers

Localised shear deformation of a material is usually identified as a particular feature of deformation inhomogeneity. Here, we show two different types of shear deformation-behaviour that occurred in Au–Cu multilayers subjected to microindentation load, namely, a cooperative-layer-buckling-induced shear banding in a nanoscale multilayer and a direct localised shearing across a layer interface along a shear plane in a submicron-scale multilayer. Theoretical analysis indicates that the formation of the two different types of shear deformation in the multilayers depends on a competition between the dislocation-pile-up-induced stress concentration at the layer interface and the barrier strength of the layer interface for glissile dislocation transmission.     

On the internal structure of Guinier-Preston zones in Al-3 at.% Ag

High-angle annular dark-field scanning transmission electron microscopy has been employed to study partially decomposed Al-3 at.% Ag. After solutionizing at 550°C and quenching to room temperature, samples of an Al-3 at.% Ag single crystal were aged for short times at 105, 140 and 180°C. Independent of the ageing temperature for these early stages, Guinier-Preston zones with a diameter of about 3 nm are found. Most of these zones consist of a silver-depleted core surrounded by a silver-rich shell. The shell structure is not uniformly pronounced. Irregularly shaped Guinier-Preston zones are common, but the shell structure dominates. No indication of different structures of the Guinier-Preston zones in Al-3 at.% Ag was found after short ageing at the three different temperatures. The shell model for Guinier-Preston zones in aluminium-rich Al-Ag alloys, which was previously proposed on the basis of X-ray and neutron scattering experiments, is thus appropriate to describe the structure of the Guinier-Preston zones in the early stages of the decomposition.     

Deformation mechanism crossover and mechanical behaviour in nanocrystalline materials

We use molecular dynamics simulations to elucidate the transition with decreasing grain size from a dislocation- to a grain-boundary-based deformation mechanism in nanocrystalline fcc metals. Our simulations reveal that this crossover is accompanied by a pronounced transition in the mechanical behaviour of the material; namely, at the grain size where the crossover occurs (the 'strongest size'), the strain rate under tensile elongation goes through a minimum. This simultaneous transition in both the deformation mechanism and the corresponding mechanical behaviour offers an explanation for the experimentally observed crossover in the yield strength of nanocrystalline materials, from Hall-Petch hardening to 'inverse Hall-Petch' softening.