Dislocations in Fe-3% Si alloy single crystals deformed at a higher rate

The method of etching dislocations is used to study the distribution of dislocations and twins in Fe-3% Si alloy single crystals prepared from the melt after plastic deformation with higher speed. The crystals are deformed by twinning in the 〈111〉 directions along the {112} planes and by slip in the 〈111〉 directions along the {110} planes. The results prove that the dislocations causing plastic deformation move in the {110} planes during both fast and slow deformation. The difference in the slip surfaces during fast and slow deformation is explained by the different number of cross slips per unit dislocation path.     

Hydrogen-induced strain localisation in oxygen-free copper in the initial stage of plastic deformation

Single crystals of oxygen-free copper oriented to easy glide of dislocations were tensile tested in order to study the hydrogen effects on the strain localisation in the form of slip bands appearing on the polished specimen surface under tensile straining. It was found that hydrogen increases the plastic flow stress in Stage I of deformation. The dislocation slip localisation in the form of slip bands was observed and analysed using an online optical monitoring system and atomic force microscopy. The fine structure of the slip bands observed with AFM shows that they consist of a number of dislocation slip offsets which spacing in the presence of hydrogen is markedly reduced as compared to that in the hydrogen-free specimens. The tensile tests and AFM observations were accompanied with positron annihilation lifetime measurements showing that straining of pure copper in the presence of hydrogen results in free volume generation in the form of vacancy complexes. Hydrogen-enhanced free-volume generation is discussed in terms of hydrogen interactions with edge dislocation dipoles forming in double cross-slip of screw dislocations in the initial stage of plastic deformation of pure copper.     

Evolution of dislocation density in a hot rolled Zr–2.5Nb alloy with plastic deformation studied by neutron diffraction and transmission electron microscopy

Abstract

The evolution of dislocation density and microstructure of a hot rolled Zr–2.5Nb alloy under compressive plastic strain, at room temperature, was analysed using neutron diffraction and transmission electron microscopy (TEM). The dislocation densities of type 〈a〉, 〈c + a〉 and 〈c〉 dislocations at different plastic strains in the elastic–plastic transition regime and plastic regime have been measured by diffraction line profile analysis (DLPA). TEM microstructure characterization revealed the operation of different slip systems. It has been found that slip of type 〈a〉 dislocations contributed to most of the plastic strain at the early stage of deformation, and strong pyramidal 〈c + a〉 slip did not occur until the deformation was fully plastic. Unambiguous evidence of basal slip occurring at room temperature in Zr is provided. Loading along a plate direction with more basal poles favoured the operation of basal and pyramidal slip. Dislocation features including relative edge:screw character of 〈c + a〉 dislocations are shown to be different under tension and compression loading, providing a mechanistic driver for the previously observed asymmetry in critical resolved shear stress for 〈c + a〉 slip.     

单晶铜纳米线屈服机理的原子模拟研究

采用分子静力学方法模拟了〈100〉单晶铜纳米线的拉伸变形过程,研究了纳米线屈服的机理. 结果表明：1） 纳米线初始屈服通过部分位错随机激活的{111}〈112〉孪生实现,后继屈服通过{111}〈112〉部分位错滑移实现;2） 纳米线变形初期不同滑移面上的部分位错在两面交线处相遇形成压杆位错,变形后期部分位错在刚性边界处塞积,两者都阻碍位错滑移,引起一定的强化作用. 关键词： 纳米线 屈服 位错 分子静力学     

Generation and accumulation of atomic vacancies due to dislocation movement and pair annihilation

Generation and accumulation of atomic vacancy due to pair annihilation of edge dislocations during plastic slip deformation of metallic materials are numerically evaluated by crystal plasticity analysis. Dislocation density-based models are utilised in the deformation analysis and a theoretical model for the generation of atomic vacancies is introduced. Purely uniform single- and double-slip deformations are analysed and results show that the evolution of the vacancy density depends largely on the microstructure length scale and multiplication of slip activity on different slip systems.     

Deformation behaviour of body centered cubic iron nanopillars containing coherent twin boundaries

Molecular dynamics simulations were performed to understand the role of twin boundaries on deformation behaviour of body-centred cubic (BCC) iron (Fe) nanopillars. The twin boundaries varying from 1 to 5 providing twin boundary spacing in the range 8.5–2.8 nm were introduced perpendicular to the loading direction. The simulation results indicated that the twin boundaries in BCC Fe play a contrasting role during deformation under tensile and compressive loadings. During tensile deformation, a large reduction in yield stress was observed in twinned nanopillars compared to perfect nanopillar. However, the yield stress exhibited only marginal variation with respect to twin boundary spacing. On the contrary, a decrease in yield stress with increase in twin boundary spacing was obtained during compressive deformation. This contrasting behaviour originates from difference in operating mechanisms during yielding and subsequent plastic deformation. It has been observed that the deformation under tensile loading was dominated mainly by twin growth mechanism. On the other hand, the deformation was dominated by nucleation and slip of full dislocations under compressive loading. The twin boundaries offer a strong repulsive force on full dislocations resulting in the yield stress dependence on twin boundary spacing. The occurrence of twin–twin interaction during tensile deformation and dislocation–twin interaction during compressive deformation has been discussed.     

Mechanisms of high-speed deformation of polycrystalline copper

The mechanisms of high-speed deformation of ultrafine-grained copper produced during severe plastic deformation by equal-channel angular pressing were analyzed using numerical modeling in comparison with those in the case of coarse-crystalline copper. The activity of annihilation processes during nonconservative motion and double cross slip of dislocations was estimated. Their effect on the macroscopic behavior of samples is shown.     

Quantifying the grain boundary resistance against slip transfer by experimental combination of geometric and stress approach using stage-I-fatigue cracks

In recent studies, many groups have investigated the interaction of dislocations and grain boundaries by bi-crystals and micro-specimen experiments. Partially, these experiments were combined with supplementary simulations by discrete dislocation dynamics, but quantitative data for the grain boundary resistance against slip transfer is still missing. In this feasibility study with first results, we use stage-I-fatigue cracks as highly localised sources for dislocations with well-known Burgers vectors to study the interaction between dislocations in the plastic zone in front of the crack tip and selected grain boundaries. The stress concentration at the grain boundary is calculated with the dislocation-free zone model of fracture using the dislocation density distribution in the plastic zone from slip trace height profile measurements by atomic force microscopy. The grain boundary resistance values calculated from common geometric models are compared to the local stress distribution at the grain boundaries. Hence, it is possible to quantify the grain boundary resistance and to combine geometric and stress approach for grain boundary resistance against slip transfer to a self-contained concept. As a result, the prediction of the grain boundary resistance effect based on a critical stress concept is possible with knowledge of the geometric parameters of the grain boundary only, namely the orientations of both participating grains and the orientation of the grain boundary plane.     

Subgrains Analysis in α-Uranium Using Combined TEM and Single Crystal Plasticity Theory

Subgrains formed in α-uranium during the β → α phase transformation are believed to be dislocation cells. According to this assumption, the large transformation strains give rise to plastic deformation. The dislocations taking part in the plastic deformation are arranged into dislocation boundaries. In order to check this preposition the yield surface of α-uranium at the transformation temperature and the stresses in a growing α particle have been calculated. Due to the low symmetry of α-uranium, only five slip systems are activated. This allows to find a unique solution for the relative activity of each slip system. Thus, the selection of active slip systems without ambiguity resulting form low crystallographic symmetry serves as an important advantageous property for the study of the fundamentals of plastic deformation. Structural TEM observations are in progress in order to gather experimental verification of the plasticity calculations.     

Modelling of martensite slip and twinning in NiTiHf shape memory alloys

High-temperature shape memory alloy NiTiHf holds considerable promise for structural applications. An important consideration for these advanced alloys is the determination of the magnitude of the twinning stress. Theoretical stresses for twinning and dislocation slip in NiTiHf martensites are determined. The slip and twinning planes are (0?0?1) and (0?1?1) for monoclinic and orthorhombic crystals, respectively. The determination of the slip and twinning stress is achieved with a proposed Peierls–Nabarro-based formulation informed with atomistic simulations. In the case of the twin, multiple dislocations comprising the twin nucleus are considered. The overall energy expression is minimized to obtain the twinning and slip stresses. The magnitude of the predicted twinning stresses is lower than slip stresses which explains why the NiTiHf alloys can undergo reversibility without plastic deformation. In fact, the predicted critical resolved shear stress levels of 433?MPa for slip and 236?MPa for twinning in the case of 12.5% Hf agree very well with the experimental measurements. The high slip resistance confirms that these materials can be very attractive in load-bearing applications.     

Dislocation patterning: from micro- to mesoscale description

During the plastic deformation of crystalline material the dislocations, being the carriers of the plastic flow, tend to form different patterns. Because of the long range nature of dislocation-dislocation interaction, the origin of this self-ordering phenomenon is still an open question. The paper presents a stochastic two-dimensional model derived directly from the properties of individual dislocations making it possible to investigate the problem on a mesoscale. Numerical results obtained in double slip configuration indicate the development of cell structure with fractal character.     

Transformation of Slip Dislocations in Σ3 Grain Boundary

Grain boundary processes during plastic deformation of bicrystals were studied by TEM. Two methods were used. In situ straining in the electron microscope followed by post mortem examination and post mortem observation of specimens previously deformed by in situ synchrotron radiation X-ray topography. Two mechanisms governing slip propagation across a coherent twin boundary in a Fe-Si alloy bicrystal were identified. The first mechanism is a dissociation of a slip dislocation with the Burgers vector lying parallel to the boundary into three equal grain boundary dislocations. The second mechanism is a decomposition of a slip dislocation with Burgers vector inclined to the boundary into a dislocation mobile in the other grain and two screw grain boundary dislocations.     

Plastic slip distribution in two-phase laminate microstructures: Dislocation-based versus generalized-continuum approaches

The size-dependent mechanical response of a simple model microstructure is investigated using continuum dislocation-based, Cosserat and strain-gradient models of crystal plasticity. The governing equations and closed-form analytical solutions for plastic slip and lattice rotation are directly compared. The microstructure consists of a periodic succession of hard (elastic) and soft (elastoplastic single-crystal) layers, subjected to single glide perpendicular to the layers. In the dislocation-based approach, inhomogeneous plastic deformation and lattice rotation are shown to develop in the soft channels, either because of bowing of dislocations or owing to pile-up formation. The generalized continuum non-local models are found to be able to reproduce the plastic slip and lattice rotation distribution. In particular, a correspondence was found between the generalized-continuum results and line tension effects; the additional or higher- order balance equations introduced in the non-local models turn out to be the counterparts of the equilibrium equation for bowed dislocations. The relevance and possible physical interpretation of additional or higher-order interface conditions responsible for the inhomogeneous distribution of plastic slip and lattice rotations are discussed.     

Application of synchrotron radiation to the study of the internal structure of natural regular and irregular diamonds

The internal structure of regular and irregular diamond crystals of the Snap Lake deposit of the Slave province (Canada) is studied using the Laue-SR synchrotron method. The crystals under study were classified into regular and irregular diamonds according to IR spectroscopy data. It is shown that irregular diamonds, in contrast to regular, underwent plastic deformation during the postgrowth period. Plastic deformation by slip or spinel-law twinning is observed for diamonds with insignificant nitrogen concentrations. For most studied crystals with high concentrations of platelets (B’ defects), irregular misorientations of local regions of a deformed crystal, such as faults and kinks, are characteristic. The interaction of dislocations formed during plastic deformation, with the dislocations surrounding the platelets, causes destruction of the latter at high P-T parameters typical of the upper mantle.     

Orientation dependence of void growth at triple junction of grain boundaries in nanoscale tricrystal nickel film subjected to uniaxial tensile loading

Molecular dynamics simulation was performed in order to investigate the dependence of void growth on crystallographic orientation at the triple junction of grain boundaries in nanoscale tricrystal nickel film subjected to uniaxial tensile loading. The nucleation, the emission and the transmission of Shockley partial dislocations play a predominant role in the growth of void at the triple junction of grain boundaries. The orientation factors of various slip systems are calculated according to Schmid law. The slip systems activated in a grain of tricrystal nickel film basically conform to Schmid law which is completely suitable for a single crystal. The activated slip systems play an important role in plastic deformation of nanoscale tricrystal nickel film subjected to uniaxial tensile loading. The slip directions exhibit great difference among the activated slip systems such that the void is caused to be subjected to various stress conditions, which further leads to the difference in void growth among the tricrystal nickel films with different orientation distributions. It can be concluded that the grain orientation distribution has a significant influence on void growth at the triple junction of grain boundaries.     

温度和应变速率耦合作用下纳米晶Ni压缩行为研究

本文利用低温力学测试系统研究了电化学沉积纳米晶Ni在不同温度和宽应变速率条件下的压缩行为. 借助应变速率敏感指数、激活体积、扫描电子显微镜及高分辨透射电子显微镜方法, 对纳米晶Ni的压缩塑性变形机理进行了表征. 研究表明, 在较低温度条件下, 纳米晶Ni的塑性变形主要是由晶界位错协调变形主导, 晶界本征位错引出后无阻碍的在晶粒内无位错区运动, 直至在相对晶界发生类似切割林位错行为. 并且, 在协调塑性变形时引出位错的残留位错能够增加应变相容性和减小应力集中; 在室温条件下, 纳米晶Ni的塑性变形机理主要是晶界-位错协调变形与晶粒滑移/旋转共同主导. 利用晶界位错协调变形机理和残留位错运动与温度及缺陷的相关性揭示了纳米晶Ni在不同温度、不同应变速率条件下力学压缩性能差异的内在原因.     

Thermal stretching of defective nanowires: the coupled effects of vacancy cluster defects,operating temperature,and wire cross-sectional area

Extensive atomistic simulations of the thermal stretching of defective nanowires (NWs) were performed using the embedded-atom molecular dynamics modeling approach. The nucleation and propagation of dislocations are described via quantitative dislocation-based analyses. The investigation focuses on the coupled effects of various vacancy cluster (VC) defects, operating temperature, and wire cross-sectional area on the mechanical properties and plastic deformations of defective NWs. With increasing internal stress of a stretched wire, a rapidly moving dislocation loop that transferred atoms to fill up the original vacancy cluster before the wire yielded was found (i.e. it carried the vacancies away from the inside of the wire and formed a notch at the wire edge). The heterogeneous nucleation of dislocations from the notch site propagated along the {111}〈112〉 partial dislocations and formed stacking faults or perfect dislocations on the {111} activated planes. Simulation results show a decreasing yield strength with increasing VC size for a given wire sectional area and temperature. Quasi-linear decreasing Young’s moduli were observed with increasing operation temperature. For a given operation temperature, NW Young’s modulus increased with increasing NW size. Two typical deformation regimes under various operation temperatures were found: (i) a high-temperature-induced pre-melting phenomenon and a thermal softening effect caused low-stress plastic flow and rapid pillar-necking deformation, and (ii) step-wise glides, slip bands, and cross-slips proceeded along the activated glide planes in the low-temperature hard-brittle structure. These two regimes were thoroughly characterized via the evolutions of microscopic dislocations and the changes of true stress. For operation at high temperatures, the ultra-thin 1/5-type pentagonal ring chains exhibit a relatively robust structure, which can potentially be used as building blocks and components for high-temperature nanoelectromechanical systems (NEMS) devices in the future.     

Direct observation of plasticity and quantitative hardness measurements in single crystal cyclotrimethylene trinitramine by nanoindentation

Investigation of deformation beginning with elasticity and continuing through the elastic–plastic transition to incipient cracking has been conducted for (210), (021) and (001) oriented single crystals of the explosive cyclotrimethylene trinitramine, commonly known as “RDX”. Nanoindentation was performed with a conical tip over a range of loads. The resulting load–depth data exhibited distinct, reproducible, orientation-dependent load excursions demonstrating elastic–plastic transitions. Indent impressions were imaged by atomic force microscopy revealing deformation features consistent with slip on six planes. Impressions on the (210) and (001) planes showed deformation pile-up features associated with the zone axes of slip planes. Slip traces were evident on the (210) plane indicating slip on four planes and suggesting cross-slip. Height data, for impressions formed by progressively increasing loads, indicated one additional slip system consistent with (010) slip. All of the orientations exhibited cracking thresholds at very low loads. The reduced elastic moduli were anisotropic and the hardness values were isotropic indicating limited plasticity. Maximum shear stresses estimated from a Hertzian model, at load excursions, were within 1/15 to 1/10 of published shear moduli, indicating deformation initiated near the theoretical yield strength, presumably by homogeneous nucleation of dislocations. The material strength parameters and deformation pathways inferred from this work are compared to previous microhardness investigations in which the ambiguity of results can be attributed to the effects of cracking and simultaneous slip on multiple systems. A mechanistic explanation for the hindered plasticity, and cracking, observed for RDX is offered in terms of compatibility conditions.     

Effect of elastic excitations on the surface structure of hadfield steel under friction

The structure of the Hadfield steel (H13) surface layer forming under dry friction is examined. The deformation of the material under the friction surface is studied at a low slip velocity and a low pressure (much smaller than the yields stress of H13 steel). The phase composition and defect substructure on the friction surface are studied using scanning, optical, and diffraction electron microscopy methods. It is shown that a thin highly deformed nanocrystalline layer arises near the friction surface that transforms into a polycrystalline layer containing deformation twins and dislocations. The nanocrystalline structure and the presence of oxides in the surface layer and friction zone indicate a high temperature and high plastic strains responsible for the formation of the layer. It is suggested that the deformation of the material observed far from the surface is due to elastic wave generation at friction.