Evidence for a transition in deformation mechanism in nanocrystalline pure titanium processed by high-pressure torsion

Nanocrystalline titanium with an average grain size of about 60–70 nm was prepared by high-pressure torsion. The results of hardness and structural evolutions indicate that a strain-induced hardening–softening–hardening–softening behaviour occurs. For coarse-grained titanium, 〈a〉-type dislocation multiplication, twinning and a high pressure-induced α-to-ω phase transformation play major roles to accommodate deformation, leading to a significant strain hardening. As deformation proceeds, dynamic recrystallisation leads to a decrease in dislocation density, especially for 〈a〉-type dislocations, leading to a slight strain softening. The 〈c〉-component dislocation multiplication dominates the deformation when the grain size decreases to 100 nm and 〈c〉-component dislocation multiplication, grain refinement and the α-to-ω phase transformation contribute to the second strain hardening. The following strain softening is attributed to dynamic recovery.     

Grain-boundary hardening in polycrystalline copper-based solid solutions

A study is made of the contribution of grain-boundary hardening to the overall hardening in a polycrystalline material on the basis of Ashby's model. Yield curves are used for copper-based solid solutions in polycrystalline and singlecrystal forms. It is shown that the contribution from statistically accumulated dislocations to the yield stress in a polycrystalline specimen reflects the behavior of the corresponding single crystal. The contribution from grain boundaries to the yield stress can be described in terms of the additional dislocation density due to the joint grain deformation in the aggregate up to high strains. At low strains, the main role in hardening of a polycrystalline material is played by the grain boundaries. This extends up to larger strains as the strain temperature is reduced and the alloy-element concentration increases.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 1, pp. 47–52, January, 1984.     

Non-planar grain boundary structures in fcc metals and their role in nano-scale deformation mechanisms

This work presents the results of a comparative molecular dynamics study showing that relaxed random grain boundary structures can be significantly non-planar at the nano-scale in fcc metals characterized by low stacking fault values. We studied the relaxed structures of random [1?1?0] tilt boundaries in a polycrystal using interatomic potentials describing Cu and Pd. Grain boundaries presenting non-planar features were observed predominantly for the Cu potential but not for the Pd potential, and we relate these differences to the stacking fault values. We also show that these non-planar structures can have a strong influence on dislocation emission from the grain boundaries as well as on grain boundary strain accommodation processes, such as grain boundary sliding. We studied the loading response in polycrystals of 40 nm grain size to a level of 9% strain and found that the non-planar grain boundaries favour dislocation emission as a deformation mechanism and hinder grain boundary sliding. This has strong implications for the mechanical behaviour of nano-crystalline materials, which is determined by the competition between dislocation activity and grain boundary accommodation of the strain. Thus, the two interatomic potentials for Cu and Pd considered in this work resulted in the same overall stress–strain curve, but significantly different fractions of the strain accommodated by the intergranular versus intragranular deformation mechanisms. Strain localization patterns are also influenced by the non-planarity of the grain boundary structures.     

On the modified grain-size-distribution method to evaluate the dynamic recrystallisation fraction in AISI 304 stainless steel

The purpose of the present work was to verify the grain size distribution (GSD) method, which was recently proposed by one of the present authors as a method for evaluating the fraction of dynamic recrystallisation (DRX) in a microalloyed medium carbon steel. To verify the GSD-method, we have selected a 304 stainless steel as a model system and have measured the evolution of the overall grain size distribution (including both the recrystallised and unrecrystallised grains) during hot compression at 1,000 °C in a Gleeble machine; the DRX fraction estimated using the GSD method is compared with the experimentally measured value via EBSD. The results show that the previous GSD method tends to overestimate the DRX fraction due to the utilisation of a plain lognormal distribution function (LDF). To overcome this shortcoming, we propose a modified GSD-method wherein an area-weighted LDF, in place of a plain LDF, is employed to model the evolution of GSD during hot deformation. Direct measurement of the DRX fraction using EBSD confirms that the modified GSD-method provides a reliable method for evaluating the DRX fraction from the experimentally measured GSDs. Reasonable agreement between the DRX fraction and softening fraction suggests that the Kocks-Mecking method utilising the Voce equation can be satisfactorily used to model the work hardening and dynamic recovery behaviour of steels during hot deformation.     

Strain hardening under structural superplasticity conditions

A model is proposed for describing the hardening of fine-grained materials deformed under structural superplasticity conditions. Under these conditions, the strain dependence of the flow stress is shown to be caused by the internal stress fields induced by the defects introduced into grain boundaries during intragranular slip. Expressions describing the dependences of the flow stress on the rate and temperature of superplastic deformation and the structural parameters of the material are obtained.     

Incipient plasticity and voids nucleation of nanocrystalline gold nanofilms using molecular dynamics simulation

In this study, the incipient plasticity and voids nucleation of nanocrystalline gold were investigated using a molecular dynamics simulation. The effects of mean grain size and temperature were evaluated in terms of the material's stress-strain diagram, Young's modulus, yield strength, common-neighbor analysis, slip vectors, and deformation behaviors. From the stress-strain diagram, at 300?K, the maximum stress value corresponding to a grain size of 3.2?nm was much lower and the stress curve was clearly different from those corresponding to other grain sizes. Young's modulus increased with increasing mean grain size. The inverse Hall–Petch relation was observed. The slip was the main deformation behavior at a mean grain size of 3.2?nm. Moreover, the internal stress was more pronounced with increasing temperature. At 700?K, the main deformation area range was concentrated in the lattice at the middle of the samples, resulting in an almost force–induced structural transformation phenomenon in the middle. Void damage occurred at the junction of three–grain boundaries during the tensile process. With decreasing mean grain size, the less internal differential slip was generated under the same temperature and strain conditions.     

Atomistic simulation of the stacking fault energy and grain shape on strain hardening behaviours of FCC nanocrystalline metals

ABSTRACT

Ultra-fine grained copper with nanotwins is found to be both strong and ductile. It is expected that nanocrystalline metals with lamella grains will have strain hardening behaviour. The main unsolved issues on strain hardening behaviour of nanocrystalline metals include the effect of stacking fault energy, grain shape, temperature, strain rate, second phase particles, alloy elements, etc. Strain hardening makes strong nanocrystalline metals ductile. The stacking fault energy effects on the strain hardening behaviour are studied by molecular dynamics simulation to investigate the uniaxial tensile deformation of the layer-grained and equiaxed models for metallic materials at 300?K. The results show that the strain hardening is observed during the plastic deformation of the layer-grained models, while strain softening is found in the equiaxed models. The strain hardening index values of the layer-grained models decrease with the decrease of stacking fault energy, which is attributed to the distinct stacking fault width and dislocation density. Forest dislocations are observed in the layer-grained models due to the high dislocation density. The formation of sessile dislocations, such as Lomer–Cottrell dislocation locks and stair-rod dislocations, causes the strain hardening behaviour. The dislocation density in layer-grained models is higher than that in the equiaxed models. Grain morphology affects dislocation density by influencing the dislocation motion distance in grain interior.     

On the homogeneous nucleation and propagation of dislocations under shock compression

The dynamic response of crystalline materials subjected to extreme shock compression is not well understood. The interaction between the propagating shock wave and the material’s defect occurs at the sub-nanosecond timescale which makes in situ experimental measurements very challenging. Therefore, computer simulation coupled with theoretical modelling and available experimental data is useful to determine the underlying physics behind shock-induced plasticity. In this work, multiscale dislocation dynamics plasticity (MDDP) calculations are carried out to simulate the mechanical response of copper reported at ultra-high strain rates shock loading. We compare the value of threshold stress for homogeneous nucleation obtained from elastodynamic solution and standard nucleation theory with MDDP predictions for copper single crystals oriented in the [0 0 1]. MDDP homogeneous nucleation simulations are then carried out to investigate several aspects of shock-induced deformation such as; stress profile characteristics, plastic relaxation, dislocation microstructure evolution and temperature rise behind the wave front. The computation results show that the stresses exhibit an elastic overshoot followed by rapid relaxation such that the 1D state of strain is transformed into a 3D state of strain due to plastic flow. We demonstrate that MDDP computations of the dislocation density, peak pressure, dynamics yielding and flow stress are in good agreement with recent experimental findings and compare well with the predictions of several dislocation-based continuum models. MDDP-based models for dislocation density evolution, saturation dislocation density, temperature rise due to plastic work and strain rate hardening are proposed. Additionally, we demonstrated using MDDP computations along with recent experimental reports the breakdown of the fourth power law of Swegle and Grady in the homogeneous nucleation regime.     

Prediction of flow stress and textures of AZ31 magnesium alloy at elevated temperature

The viscoplastic behaviour of magnesium alloys at high temperatures leads to highly temperature-dependent mechanical properties. While at high strain rates a notable strain hardening response is observed, at low strain rates the material shows a smooth plastic response with negligible amount of hardening. This complicated behaviour is due to different deformation mechanisms that are active at different strain rate regimes, resulting in different strain rate sensitivity parameters. In this study we show, by utilizing both numerical simulations and experiments, that this behaviour can be predicted by a model that combines two deformation mechanisms, grain boundary sliding mechanism and dislocation glide mechanism. We discuss the importance of each deformation mechanism at different strain rate regimes based on the findings of modelling and experimental results for AZ3 magnesium alloy. By developing a model that includes the above-mentioned two deformation mechanism, the prediction of flow properties is expanded to a wide range of strain rate regimes compared to previous study. The obtained numerical findings for the stress–strain behaviour as well as texture evolution show good agreement with the experimental results.     

Strength and plastic deformation of polycrystalline diamond composites

ABSTRACT

The use of nanopolycrystalline diamond has allowed a systematic study on deformation of polycrystalline diamond composites (PCDCs). Bulk PCDCs samples containing either Co or SiC as a binding agent were deformed under high pressure and temperature to strains up to 18% at strain rates ～10^?5?s^?1. All samples exhibit strong work hardening. The strength of PCDCs depends on the amount and type of binding agents and is consistently weaker than that of diamond single crystals. The weakening may be due to the binder materials, which play an important role in affecting grain boundary structures. In SiC-based PCDC, significant grain fragmentation occurs. Nearly all grain boundaries are wetted by SiC after large deformation, resulting in lower strength. In Co-based PCDC, the microstructure is dominated by dislocations, deformation twins, and separated grain boundaries. The density of deformation twins increases significantly with strain, with the twin domain width reaching as low as 10–20?nm at 14% strain.     

Precipitation in solution-treated aluminium–4 wt% copper under cyclic strain

Solution-treated Al–4 wt% Cu was strain-cycled at ambient temperature and above, and the precipitation and deformation behaviours investigated by TEM. Anomalously rapid growth of precipitates appears to have been facilitated by a vacancy super-saturation generated by cyclic strain and the presence of continually refreshed dislocation density to provide heterogeneous nucleation sites. Crystallographic texture appears to be responsible for latent hardening in specimens tested at room temperature. Increasing temperatures lead to a gradual hardening throughout life due to precipitation. Specimens machined at 45° from the rolling direction, which exhibit rapid precipitation hardening, show greater texture hardening due to increased axial stress required to cut precipitates in specimens. In the temperature range 100–200°C, precipitation of Θ″ is suppressed by cyclic strain, and precipitation of Θ′ promoted. The rapid growth of precipitates generated by cyclic strain operates with diminishing effect at higher temperatures due to faster recovery of non-equilibrium vacancy concentrations. Θ′ precipitates generated under cyclic strain are smaller and more finely dispersed than those produced via quench-ageing due to heterogeneous nucleation on dislocations and possess a low aspect ratio and rounded edges of the broad faces caused by the introduction of ledges into the growing precipitates by dislocation cutting. Frequency effects indicate that dislocation action is responsible for the observed reduction in aspect ratio. Accelerated formation of grain-boundary precipitates appears partially responsible for rapid inter-granular fatigue failure at elevated temperatures, resulting in coexistent fatigue striations and ductile dimples on the fracture surface.     

Nucleation of dynamic recrystallization and variant selection in copper bicrystals

Orientation-controlled copper bicrystals containing [001] symmetrical tilt boundaries aligned parallel to the loading axis were deformed in tension at 923?K and a strain rate of 4.2?×?10^?4?s^?1. The nucleation of dynamic recrystallization (DRX) was investigated along the grain boundary. For this purpose, both optical and orientation imaging microscopy methods were used. After grain-boundary migration (GBM) and bulging, nuclei appeared behind the most deeply indented grain boundary regions. The critical strain for nucleation was about one-quarter to one-half of the peak strain and depended on the misorientation angle. All the nuclei were twin-related (Σ3) to the matrices. Furthermore, all the primary twin traces were parallel to those of the inactive slip planes of the parent single crystals. Crystallographic analysis revealed the important role of the direction of GBM on twinning-plane variant selection. The characteristics of grain boundary nucleation depended sensitively on grain boundary character and on grain boundary mobility. The observed DRX nucleation mechanism is discussed in relation to the occurrence of GBM and twinning.     

Effect of Grain Size on Mechanical Properties of Commercially Pure Titanium

The grain-size dependence of certain mechanical properties of commercially pure titanium under deformation at room temperature is examined. A decrease in the grain size is found to provide a continuous improvement in strength, lower work hardening, and nonmonotonic dependence of the length of the uniform deformation stage. Furthermore, localized deformation in the neck and total plasticity before fracture exhibit a low sensitivity to the grain size. A yield tooth and plateau occur in the flow curve as the structure is reduced down to a certain grain size. The grain-size dependence of the mechanical behavior of the material and its relation to the dislocation redistribution are discussed.     

Dislocation and defect density-based micromechanical modeling of the mechanical behavior of fcc metals under neutron irradiation

A rate-independent dislocation and defect density-based evolution model is presented that captures the pre- and post-yield material behavior of fcc metals subjected to different doses of neutron radiation. Unlike previously developed phenomenological models, this model is capable of capturing the salient features of irradiation-induced hardening, including increase in yield stress followed by yield drop and non-zero stress offset from the unirradiated stress–strain curve. The key contribution is a model for the critical resolved slip resistance that depends on both dislocation and defect densities, which are governed by evolution equations based on physical observations. The result is an orientation-dependent non-homogeneous deformation model, which accounts for defect annihilation on active slip planes. Results for both single and polycrystalline simulations of OFHC copper are presented and are observed to be in reasonably good agreement with experimental data. Extension of the model to other fcc metals is straightforward and is currently being developed for bcc metals.     

Microstructural evolution of AZ31 magnesium alloy subjected to sliding friction treatment

Microstructural evolution and grain refinement mechanism in AZ31 magnesium alloy subjected to sliding friction treatment were investigated by means of transmission electron microscopy. The process of grain refinement was found to involve the following stages: (I) coarse grains were divided into fine twin plates through mechanical twinning; then the twin plates were transformed to lamellae with the accumulation of residual dislocations at the twin boundaries; (II) the lamellae were separated into subgrains with increasing grain boundary misorientation and evolution of high angle boundaries into random boundaries by continuous dynamic recrystallisation (cDRX); (III) the formation of nanograins. The mechanisms for the final stage, the formation of nanograins, can be classified into three types: (i) cDRX; (ii) discontinuous dynamic recrystallisation (dDRX); (iii) a combined mechanism of prior shear-band and subsequent dDRX. Stored strain energy plays an important role in determining deformation mechanisms during plastic deformation.     

Flow stress/strain rate/grain size coupling for fcc nanopolycrystals

A Hall–Petch (H–P)-type dependence is demonstrated for reciprocal activation volume measurements for nanocrystalline and conventional grain size, strengthened Ni and Cu materials, consistent with predictions derived from the dislocation pile-up model. The observed H–P dependence indicates that the shear stress for cross-slip must be involved in the full grain size regime for transmission of plastic flow at the grain boundaries of fcc metals.     

A critical analysis and a recent improvement of the two-dimensional model for solution–precipitation creep: application to silicon nitride ceramics

The step model is one of the most widely used models of solution–precipitation creep in polycrystalline ceramics with secondary glassy phases. However, it leads to unrealistic stress exponent values when two-dimensional step nucleation takes place at the grain boundaries. We present a modification of the original model of step nucleation that avoids such unreasonable values by considering in detail the precipitation (or solution) process. The modified model agrees with reported experimental results for ceramic systems in which it has been accepted that high-temperature plasticity occurs by solution–precipitation.     

Mechanism of deformation-twin formation in nanocrystalline metals

A theoretical model is proposed to describe the nucleation of deformation twins at grain boundaries in nanocrystalline materials under the action of an applied stress and the stress field of a dipole of junction or grain-boundary wedge disclinations. The model is used to consider pure nanocrystalline aluminum and copper with an average grain size of about 30 nm. The conditions of barrier-free twinning-dislocation nucleation are studied. These conditions are shown to be realistic for the metals under study. As the twin-plate thickness increases, one observes two stages of local hardening and an intermediate stage of local flow of a nanocrystalline metal on the scale of one nanograin. In all stages, the critical stress increases with decreasing disclination-dipole strength. The equilibrium thickness and shape of the twin plate are analyzed and found to agree well with the well-known results of experimental observations.     

A crystal plasticity model of a formation of a deformation band structure

The formation of deformation bands with the typically alternating sign of the misorientation across their boundaries is interpreted as spontaneous deformation instability caused by anisotropy of hardening. To analyse the nature of the fragmentation, a model of a rigid-plastic crystal domain deformed by symmetric double slip in a plane-strain compression is considered. The basic reason for the deformation band existence is that a local decrease in number of active slip systems in the bands is energetically less costly than a homogeneous deformation by multislip. However, such model of the bands predicts their extreme orientation and their width tends to zero. This trend is modified by hardening caused by a build up of the band boundaries and by a dislocation bowing (Orowan) stress. The model provides an explanation of observed orientation of the bands, their width and the significant change in the structural morphology seen as the band reorientation occurs at large strains. The predictions are in a favourable agreement with the available observations.