Modelling of irradiation-induced hardening in metals using dislocation dynamics

A new simulation technique (three-dimensional dislocation dynamics) enabling the capture of a hardening effect in metals due to irradiation is reported. When bombarded with high-energy particles, metals accrue internal damage. In irradiated Pd, for example, damage takes the form of interstitial loops. Such loops are nano-sized and typically have a high number density. The stress field of a loop is given from dislocation theory. It is shown here the hardening is due to the elastic interaction of gliding dislocations with a high number of spatially dispersed interstitial loops. Results are found to correlate well with experiments.     

Homogeneous nucleation of dislocation loops under stress in perfect crystals

We present an analysis and results on the homogeneous nucleation of a dislocation loop under stress in a perfect crystal. By using a variational boundary integral method in the Peierls-Nabarro framework, we have determined the saddle-point configurations of embryonic dislocation loops and their associated activation energies under stress levels up to the ideal shear strength. The high-energy barriers under the usual levels of applied shear stresses, differing markedly from the ideal shear strength, confirm the widely held view that thermal motion should play no role in such nucleation. The result provides means for more definitive solutions of fundamental problems involving homogeneous nucleation of dislocation loops and has significant implications for models based on the mechanism of nucleation of dislocations from a perfect crystal.     

The annihilation by glide of prismatic loops in walls

Two mechanisms are conjectured for the non-diffusional refinement of prismatic dislocation loops. These mechanisms offer an alternative to the widely accepted concept of spontaneous disintegration below some critical dipole height. In one, a loop array is refined by reaction with a mobile dislocation having the same Burgers vector. Loop shrinkage then depends on the geometry of the array and on the position of the plane of incidence. In principle, any loop array can be refined via this mechanism provided that all the loops have the same sign. An alternative mechanism may take place in dense walls formed of randomly arranged dipolar loops of both signs. As the wall is densified by impacting dislocations that push pre-existing loops on their glide prism against each other, refinement occurs conservatively when two loops of opposite sign come into contact.     

On the shape of a dislocation shear loop in stable equilibrium

It is demonstrated that the shape of a dislocation shear loop held in stable equilibrium by an infinitesimal shear loop of the same sign at its centre is a circle. This unexpected result may help to explain some discrepancies between the shape of loops predicted by de Wit and Koehler and experimental observation.     

Dislocation multiplication in bcc molybdenum: A dislocation dynamics simulation

Plastic deformation of Mo single crystals is examined by direct simulation of dislocation dynamics under stress. Initial dislocation populations are made to mimic real dislocation microstructures observed in transmission electron microscopy cross-sections of pure annealed Mo single crystals. No a priori sources for dislocation multiplication are introduced, and yet multiplication takes place through a sequence involving aggregation of grown-in superjogs, bowing of screw dislocation segments and fast lateral motion of edge segments, producing a large number of elongated loops and a characteristic cross-grid pattern of screw dislocations.     

Dislocation nucleation and vacancy formation during high-speed deformation of fcc metals

Recently, a dislocation-free deformation mechanism was proposed by Kiritani et al. on the basis of a series of experiments where thin foils of fcc metals were deformed at very high strain rates. In the experimental study, they observed a large density of stacking fault tetrahedra but very low dislocation densities in the foils after deformation. This was interpreted as evidence for a new dislocation-free deformation mechanism, resulting in a very high vacancy production rate. In this paper we investigate this proposition using large-scale computer simulations of bulk and thin films of copper. To favour such a dislocation-free deformation mechanism, we have made dislocation nucleation very difficult by not introducing any potential dislocation sources in the initial configuration. Nevertheless, we observe the nucleation of dislocation loops, and the deformation is carried by dislocations. The dislocations are nucleated as single Shockley partials. The large stresses required before dislocations are nucleated result in a very high dislocation density, and therefore in many inelastic interactions between the dislocations. These interactions create vacancies and a very large vacancy concentration is quickly reached.     

Positron lifetime study of an Al-1.7at.% Mg-1.1at.% Cu alloy

The behaviour of vacancies during isothermal ageing following quenching of an Al-1.7at.% Mg-1.1at.% Cu alloy has been studied by positron annihilation lifetime spectroscopy. The positron lifetime parameters vary in parallel with the Vickers hardness of the alloy, suggesting simultaneous migration of vacancies and changes in the size and concentration of vacancies containing clusters and dislocation loops. The results also explain the long hardness plateau observed previously in ageing experiments carried out between 100 and 240°C in terms of a continuous growth of Mg-Cu-vacancy clusters during ageing. The vacancy concentration of the clusters increases gradually until the setting in of the cluster Guinier-Preston-Bagaryatsky zone transformation.     

Ostwald ripening of spherical Fe particles in Cu-Fe alloys

The coarsening of spherical n -Fe and f -Fe precipitate particles in Cu-Fe alloys aged at 600, 650 and 700C has been studied by measuring both the particle size by transmission electron microscopy and the Fe concentration in the Cu matrix by electric resistivity. The average size of n -Fe and f -Fe particles increases with ageing time t as t 1/3, as predicted by the Lifshitz-Slyozov-Wagner theory. The kinetics of the depletion of supersaturation with t for n -Fe and f -Fe particles are consistent with the predicted t -1/3 time law. The solubilities of Fe in equilibrium with a n -Fe particle of infinite size are greater than those in equilibrium with an f -Fe particle of infinite size. The Fe-Cu interface energy and the diffusivity of Fe in Cu have been independently derived from the data on coarsening. The coherent n -Fe-Cu interface energy is estimated to be 0.25Jm -2, and the incoherent f -Fe-Cu interface energy 0.52Jm -2 . The preexponential factor and activation energy for diffusion are found to be 9.75 10 -5 m 2 s -1 and 213kJmol -1 respectively.     

Evaluation of the threshold stress for creep deformation in a 3 mol% Y 2 O 3 -stabilized tetragonal ZrO 2 polycrystal

The origin of the increase in the stress exponent from n , 2.0 to with decreasing stress in 3 mol% Y 2 O 3 -stabilized tetragonal ZrO 2 has been examined. The present data show that the increase in the n value arises from the existence of a threshold stress that depends on the grain size and temperature. Careful examination of earlier creep data confirms that evaluation of the threshold stress is sensitive to the accuracy of the creep data and the value of n chosen for the compensation of the data. Inspection of the present results and some recent observations of the deformed microstructure suggests that the threshold stress is associated with intragranular dislocation motion.     

The mechanical properties and dislocation structure of a LaNi5 alloy

A LaNi5 alloy was deformed in compression at high temperatures. Below 850 degrees C, it is brittle but, above 900 degrees C, it showed plasticity. The thermodynamic parameters for plastic deformation have been determined. The dislocation structure was observed by transmission electron microscopy and the Burgers vectors determined without ambiguity. It is concluded that plastic deformation of this alloy at high temperatures is controlled by a Peierls mechanism.     

Post-irradiation annealing behaviour of oxide dispersion strengthened Fe-Cr alloys studied by nanoindentation

ABSTRACT

To study the nature of irradiation-induced nanofeatures in oxide dispersion strengthened (ODS) Fe-Cr alloys, post-irradiation isochronal thermal annealing up to 600°C was performed for ODS Fe-9%Cr and Fe-14%Cr alloys ion-irradiated at 300°C and 500°C. Nanoindentation indicated hardening for all as-irradiated alloys and complete hardness recovery upon post-irradiation annealing. Cross-sectional TEM indicated an irradiation-induced defect band near peak damage mainly consisting of dislocation loops. Candidate mechanisms of recovery were critically evaluated. Shrinkage of loops via capture of thermal vacancies was found to correctly reflect the annealing behaviour of ODS Fe-9Cr irradiated at 300°C.     

Electron back-scatter diffraction study of inoculation of Al

The microstructure of cast commercial-purity aluminium inoculated by addition of an Al-Ti-C grain refiner has been studied by scanning electron microscopy and electron back-scatter diffraction (EBSD). It is found that a small fraction of the TiC particles present in the melt act as nucleation centres for grains. EBSD shows that the aluminium grains have a crystallographic cube-cube orientation relationship with the particles on which they nucleate. Nucleation occurs only on the largest particles, consistent with model predictions. Despite potential thermodynamic instability, TiC particles are effective nucleating agents.     

Mobility of c dislocations in Ti3, Al

Abstract

The rôle of dislocations with Burgers vectors, b, given by b = [0001] during deformation of samples of the intermetallic compound Ti₃Al has been assessed. At room temperature, the experimental evidence is consistent with these dislocations being sessile, their density and morphology being similar to that in undeformed samples. In samples deformed at 650°C and above, it is concluded that motion of these dislocations is effected by dislocation climb. The line directions of the various segments of dislocations with b= [0001] are shown to be perpendicular to planes that contain sheets of Ti atoms, with an expected tendency to exhibit a high Peierls stress.     

Scanning electron microscopy-electron channelling contrast investigation of recrystallization during cyclic deformation of ultrafine grained copper processed by equal channel angular pressing

Cyclic deformation has been performed at ambient temperature on ultrafine-grained copper processed by equal channel angular pressing. Observations by electron channelling contrast in a scanning electron microscope revealed that pronounced recrystallization occurred and several distinct dislocation configurations such as dislocation walls and labyrinth structures were found within the recrystallized regions. A model is proposed to account for the evolution of recrystallization, emphasizing that its development results from an interaction between the cyclic deformation and the growth of recrystallized regions. The formation of recrystallized regions of different sizes is discussed.     

Microstructure of icosahedral Al-Pd-Mn quasicrystals deformed at room temperature in an anisotropic confining medium

Plastic deformation of Al-Pd-Mn icosahedral quasicrystals has been achieved at room temperature using a high-confining-pressure medium. The deformation microstructure, investigated by transmission electron microscopy, is characterized by long straight bands of dislocations. A detailed analysis of the dislocation configurations indicates that the plastic deformation is controlled by dislocation glide.     

Fracture mechanisms of symmetrical tilt grain boundaries

The mechanisms of failure of symmetrical tilt boundaries have been investigated using an atomistic technique. The fracture process advances in steps that are related to the structural unit of the symmetrical tilt grain boundary. These boundaries are shown to fail through a combined mechanism involving dislocation emission in certain regions of the structural unit, followed by microcleavage, and again dislocation emission. The overall toughness of the boundaries is given by the combination of the toughness of these two processes.     

Formation of prismatic loop alignments in crystals deformed in single slip

In γ-TiAl deformed at room temperature in single slip, prismatic loops ar often organized in a staircase-like configuration, called strings whose generation by cross-slip is facilitated by the dislocation tendency to form screw locks as described recently by Grégori and Veyssière. The present letter is aimed at showing that strings may be encountered in virtually any crystal provided that the two impinging dislocations exhibit significantly different velocities. The crossslip annihilation mechanism of crossed dislocations considered by Tetelman is revisited and shown to evolve into a configuration significantly distinct from that originally predicted.     

First-principles investigation of bowing parameter in zinc-blende ScxGa1−xN

Helium generated in materials by the nuclear reaction (n,?α) is generally considered to be harmful. It is well-known that helium prompts not only the nucleation of interstitial-type dislocation loops, but also the nucleation of voids in metals and alloys irradiated with high-energy particles, which degrades their mechanical properties. In this study, however, we find that helium trapped by dislocations in Ni increases both the ultimate tensile strength and total elongation.     

Application of electron channelling contrast to the investigation of strain localization effects in cyclically deformed fcc crystals

The dislocation substructure and the glide activity in cyclically deformed nickel single crystals have been studied using the channelling contrast of backscattered electrons in a scanning electron microscope. Dislocation arrangements which arise in the saturation region after cyclic loading at room temperature and at one elevated temperature are considered. The electron channelling contrast technique is shown to be a useful instrument for the qualitative and quantitative characterization of the dislocation pattern on a macroscopic and a mesoscopic scale. The correlation between the specific dislocation structure in persistent slip bands PSBs and the localized glide activity of PSBs and PSB macrobands are considered.     

Recent advances in electron-beam-induced damage models in yttria fully stabilized zirconia single crystals

Dislocation loop formation in yttria fully stabilized zirconia single crystals observed in a transmission electron microscope has been reported in the literature. To account for the loop formation, two different explanations have been proposed. Here we present original experiments focusing on a comparison of the two models. We conclude that the origin of the loops is precipitation of a second phase, enhanced by heating in the electron beam.