Nanovoid generation due to intergrain sliding in nanocrystalline materials

A theoretical model is suggested which describes the generation of nanoscale voids (nanovoids) at grain boundaries (GBs) in deformed nanocrystalline and nanocomposite materials. In the framework of the model, nanovoids are generated in the stress fields of the dislocations characterized by large Burgers vectors and formed at GB steps and triple junctions due to intense intergrain sliding. The model accounts for experimental observations of nanovoids at GBs in deformed nanomaterials, reported in the literature.     

Generation of glide split-dislocation half-loops by grain boundaries in nanocrystalline Al

A three-dimensional model for the generation of split dislocations by grain boundaries in nanocrystalline A1 is proposed. In terms of this model, rectangular glide split-dislocation half-loops nucleate at glide lattice dislocation loops pressed to grain boundaries by an applied stress. The level of the applied stress and the grain size at which the emission of such dislocation half-loops becomes energetically favorable are determined. The dependences of the stacking-fault width on the grain size and the applied stress are found. The anomalously wide stacking faults experimentally detected in nanocrystalline A1 are shown to be caused by high internal stresses forming in the stages of preparation, treatment, or local loading of nanocrystalline samples.     

Irradiation-induced amorphization processes in nanocrystalline solids

A theoretical model is suggested which describes irradiation-induced amorphization in nanocrystalline solids, using the rate theory approach. In the framework of the model, interfaces (grain boundaries) cause the two basic effects on irradiation-induced damage and amorphization processes in nanocrystalline solids where the volume fraction of the interfacial phase is extremely large. First, amorphization is enhanced in nanocrystalline solids, because high-density ensembles of interfaces essentially contribute to the total energy of the crystalline state and thereby provide a shift in the energetics of amorphization. Second, interfaces serve as effective sinks of irradiation-produced point defects and thereby hamper amorphization driven by defect accumulation. The competition between these effects is described by kinetic equations for densities of point defects in nanoscale grains in nanocrystalline solids under irradiation treatment. This competition is shown to be responsible for the specific behavior of irradiated nanocrystalline solids, which is different from that of their coarse-grained counterparts. The suggested model accounts for the experimental data reported in the literature.PACS 61.46.+w; 61.72.Cc; 61.80.Az     

Magnetism of nanocrystalline materials

Nanocrystalline solids are materials consisting of small crystallites (typically 1–10 nanometers). These materials have a high proportion of atoms located in the interfacial regions between the crystallites. Therefore their magnetic properties are strongly determined by the interfaces. In this work we present Mössbauer studies carried out on various nanocrystalline materials. Beneath the normal crystalline component the Mössbauer spectra clearly indicate the existence of an component with modified magnetic properties which corresponds to the interfaces in this type of material. For nanocrystalline α-Fe an enhancement of the hyperfine field was observed in the interfacial component at low temperatures, whereas a decrease was found for nanocrystalline Ni.     

Grain boundary sliding and lattice dislocation emission in nanocrystalline materials under plastic deformation

A theoretical model is proposed to describe the physical mechanisms of hardening and softening of nanocrystalline materials during superplastic deformation. According to this model, triple interface junctions are obstacles to glide motion of grain boundary dislocations, which are carriers of grain boundary glide deformation. Transformations of an ensemble of grain boundary dislocations that occur at triple interface junctions bring about the formation of partial dislocations and the local migration of triple junctions. The energy characteristics of these transformations are considered. Pileups of partial dislocations at triple junctions cause hardening and initiate intragrain lattice sliding. When the Burgers vectors of partial dislocations reach a critical value, lattice dislocations are emitted and glide into adjacent grains, thereby smoothing the hardening effect. The local migration of triple interface junctions (caused by grain boundary sliding) and the emission of lattice dislocations bring about softening of a nanocrystalline material. The flow stress is found as a function of the total plastic strain, and the result agrees well with experimental data.     

Magnetic nanowires fabricated by anodic aluminum oxide template—a brief review

Anodic aluminum oxide(AAO) with highly ordered nanoscale pores which are monodisperse and mutually parallel can be produced through a self-organized electrochemical process.Subsequent deposition of materials into the nanopores produces AAO embedded nanowire arrays.Whilst the templates can be further removed to obtain free individual nanowires,the embedded nanowires form an interesting nanocomposite structure.Recent research activities on the fabrication and characteriza-tion of AAO template based magnetic n...     

Plasticity and strength of micro- and nanocrystalline materials

This review is devoted to the effect of grain boundaries on the deformational and strength properties of poly-, micro-, and nanocrystalline materials (predominantly metals). The main experimental facts and mechanisms concerning the dislocation structure and mechanical behavior of these materials over wide ranges of temperatures and grain sizes are presented. The experimentally established regularities are analyzed theoretically in terms of equations of dislocation kinetics taking into account the properties of grain boundaries as barriers, sources, and sinks for dislocations and as places where dislocations annihilate. The origin of the Hall-Petch relations for the yield stress and the flow stress as functions of the grain size, as well as the deviations from these relations observed in nano- and microcrystalline materials, is discussed in detail in terms of the dislocation-kinetics approach. Embrittlement of micro- and nanocrystalline materials at low temperatures and superplasticity of these materials at elevated temperatures are also analyzed in terms of the dislocation-kinetics approach.     

Crack-stimulated generation of deformation twins in nanocrystalline metals and ceramics

A theoretical model is proposed that describes the generation of deformation twins near brittle cracks of mixed I and II modes in nanocrystalline metals and ceramics. In the framework of the model, a deformation twin nucleates through stress-driven emission of twinning dislocations from a grain boundary distant from the crack tip. The emission is driven by both the external stress concentrated by the pre-existent crack and the stress field of a neighbouring extrinsic grain boundary dislocation. The ranges of the key parameters, the external shear stress, τ, and the crack length, L, are calculated within which the deformation-twin formation near pre-existent cracks is energetically favourable in a typical nanocrystalline metal (Al) and ceramic (3C-SiC). The results of the proposed model account for experimental data on observation of deformation twins in nanocrystalline materials reported in the literature. The deformation-twin formation is treated as a toughening mechanism effectively operating in nanocrystalline metals and ceramics.     

Chain decay of low-angle tilt boundaries in nanocrystalline materials

In terms of two-dimensional dislocation-disclination dynamics, a theoretical model is developed to describe the decay of a low-angle tilt boundary in a deformed nanocrystalline material under the action of an externally applied elastic stress and of the elastic field of a neighboring decayed boundary. The critical external stresses are calculated at which the boundary decays and the dislocations making up this boundary either are trapped by the boundary that decayed earlier or break away from both boundaries. The decay of a low-angle tilt boundary is shown to result in a substantial decrease in the critical decay stresses for the neighboring boundaries, which can cause an avalanche-like chain decay of low-angle boundaries yielding high-density ensembles of mobile dislocations capable of carrying substantial plastic deformations and of forming shear bands in deformed nanocrystalline materials.     

A thermally activated dislocation-based constitutive flow model of nanostructured FCC metals involving microstructural evolution

Abstract

Due to their interface and nanoscale effects associated with structural peculiarities of nanostructured, face-centered-cubic (FCC) ultrafine-grained/nanocrystalline (UFG/NC) metals, in particular nanotwinned (NT) metals exhibit unexpected deformation behaviours fundamentally different from their coarse-grained (CG) counterparts. These internal boundaries, including grain boundaries and twin boundaries in UFG/NC metals, strongly interact with dislocations as deformation barriers to enhance the strength and strain rate sensitivity (SRS) of materials on the one hand, and play critical roles in their microstructural evolution as dislocation sources/sinks to sustain plastic deformation on the other. In this work, building on the findings of twin softening and (de)twinning-mediated grain growth/refinement in stretched free-standing NT–Ni foils, a constitutive model based on the thermally activated depinning process of dislocations residing in boundaries has been proposed to predict the steady-state grain size and simulate the plastic flow of NT–Ni, by considering the blocking effects of nanotwins on the absorption of dislocations emitted from boundaries. It is uncovered that the stress ratio (η_stress) of effective-to-internal stress can be taken as a signature to estimate the stability of microstructures during plastic deformation. This model not only reproduces well the plastic flow of the stretched NT–Ni foils as well as reported NT–Cu and the steady-state grain size, but also sheds light on the size-dependent SRS and failure of FCC UFG/NC metals. This theoretical framework offers the opportunity to tune the microstructures in the polycrystalline materials to synthesise high performance engineering materials with high strength and great ductility.     

热应力作用降低LPE层中的位错

提出由温差造成热剪切应力,引起衬底穿线位错滑移,形成<110>界面位错,从而降低LPE层中位错的模型。稳定自然对流下的温度梯度液相外延,存在衬底厚度方向的温差,能在边缘固定的衬底中造成热剪切应力。生长了厚GaAs和Ga_1-xAl_xAs层(x<0.3),估算的热剪切应力大于产生<110>暗线缺陷的临界剪切应力。表面腐蚀坑观察表明,外延层位错密度下降,或无位错。界面蚀槽和阴极荧光观察表明,衬底穿线位错在界面弯曲成<110>界面位错。透射电子显微镜观察表明,界面位错多 关键词：     

Nucleation of deformation twins on gliding grain-boundary dislocations in nanomaterials

A new micromechanism of nucleating deformation twins in nanocrystalline and ultrafine-grained materials under action of severe mechanical stresses has been proposed and theoretically described. The mechanism is a subsequent splitting of grain-boundary dislocations into lattice partial and sessile grain-boundary dislocations. Ensembles of gliding partial dislocation forms deformation twins. The energy characteristics of this process are calculated. The nucleation of the twins is shown to be energetically profitable and can be athermic (without an energy barrier) under conditions of severe mechanical stress. The dependence of a critical stress at which the barrier-less nucleation of twins took place on the widths of these twins is calculated.     

Emission of partial dislocations by grain boundaries in nanocrystalline metals

A theoretical model is proposed to describe the emission of partial dislocations by grain boundaries in nanocrystalline materials during plastic deformation. Partial dislocations are assumed to be emitted during the motion of grain-boundary disclinations, which are carriers of rotational plastic deformation. The ranges of the parameters of a defect structure in which the emission of partial dislocations by grain boundaries in nanocrystalline metals are energetically favorable are calculated. It is shown that, as the size of a grain decreases, the emission of partial dislocations by its boundary becomes more favorable as compared to the emission of perfect lattice dislocations.     

单向拉伸作用下Cu(100)扭转晶界塑性行为研究

应用分子动力学方法研究了在不同扭转角度下的Cu（100）失配晶界位错结构,以及不同位错结构对晶界强度的影响.模拟结果表明：小角度扭转晶界上将形成失配位错网,失配位错密度随着晶粒之间的失配扭转角度的增加而增加.变形过程中,位错网每个单元中均产生位错形核扩展.位错之间的塞积作用影响晶界的屈服强度：随着位错网格密度的增加,位错之间的塞积作用增强,界面的屈服强度得到提高.大角度扭转晶界将形成面缺陷,在变形中位错由晶界角点处形核扩展,此时由于面缺陷位错开动应力趋于一致,因此晶界的临界屈服强度趋于定值. 关键词： 扭转晶界 失配位错网 强化机理 分子动力学     

Influence of electrolytic hydrogen on the etch pit density of iron (110) surfaces

Etch pit densities on iron (110) surfaces in sulphuric acid grow linearly with the interfacial hydrogen activity in excess of a critical activity. The hydrogen activity is approximately proportional to the square root of the cathodic current density. At constant cathodic current density the etch pit density increases with temperature and decreases with external stress. Dislocations at which the excess etch pits form penetrate into the iron at a rate proportional to the hydrogen activity and the square root of time. Effects of prior hydrogen deposition on the shape of etch pits are seen at depths greater than the penetration depth of hydrogen generated dislocations. Changes of etch pit shape similar to those produced by hydrogen are also found when external stress is applied.The results are compared to Prussin's theory in which the assumption is made that stresses accompanying diffusion of an impurity are fully relieved by plastic deformation and formation of dislocations for stresses exceeding a critical stress. While some of the predictions of the theory are met by the experiments, the dislocations penetrate into the iron much slower than diffusion of hydrogen, since dislocations cannot move fast enough, i.e. stresses are not fully relieved.     

Strain mapping in nanocrystalline grains simulated by phase field crystal model

In recent years, the phase field crystal (PFC) model has been confirmed as a good candidate to describe grain boundary (GB) structures and their nearby atomic arrangement. To further understand the mechanical behaviours of nanocrystalline materials, strain fields near GBs need to be quantitatively characterized. Using the strain mapping technique of geometric phase approach (GPA), we have conducted strain mapping across the GBs in nanocrystalline grains simulated by the PFC model. The results demonstrate that the application of GPA in strain mapping of low and high angles GBs as well as polycrystalline grains simulated by the PFC model is very successful. The results also show that the strain field around the dislocation in a very low angle GB is quantitatively consistent with the anisotropic elastic theory of dislocations. Moreover, the difference between low angle GBs and high angle GBs is revealed by the strain analysis in terms of the strain contour shape and the structural GB width.     

A general model for hydrogen trapping at the inclusion-matrix interface and its relation to crack initiation

Abstract

The role of non-metallic inclusions in hydrogen-induced failure of structural materials has been a controversial topic for many years. In this paper, hydrogen trapping and its relation to the crack initiation at the inclusion-matrix interfaces are studied by considering the interfacial structure and the interaction between the dissolved hydrogen atoms and the elastic strains produced by lattice matching and misfit dislocations. A model is proposed to analyse the change of interfacial structure with inclusion size and its relation to hydrogen trapping. Hydrogen accumulation at the interfaces is quantitatively analysed. The obtained results are in good agreement with the experimental observations. The multiple factors, such as interfacial structure, chemical composition, elastic properties of matrix and inclusions, crystallographic relationship between inclusions and matrix, inclusion morphology and size, simultaneously control hydrogen trapping. In addition, the mechanism of hydrogen-induced crack initiation at the interface is investigated. A criterion is proposed to determine critical conditions for crack initiation. For the first time, the inherent relationship between hydrogen trapping and hydrogen-induced cracking at the interface is clarified. This work paves a way for an in-depth understanding of the effects of inclusions on hydrogen-induced degradation of mechanical properties.     

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.     

Roughness of boundary interfaces in polycrystals and its influence on the yield strength of nanocrystalline materials

The distribution in roughness of grain-boundary interfaces in polycrystals is measured metallographically. The result shows that there are high populations of localized interface areas with roughness much lower than the average in polycrystals. Effects of the roughness on the boundary sliding in nanocrystalline materials are discussed, suggesting that the sliding in the localized interface areas produces stress concentrations to cause a reduction in the yield strength of nanocrystalline materials.     

Disclination Mechanism of Plastic Deformation of Nanocrystalline Materials

A model describing mechanical behaviour of nanocrystalline materials (NC) obtained by crystallization from amorphous precursor is presented. In the framework of this model a structure of such NCs is represented as a composite consisting of amorphous matrix and absolutely rigid inclusions corresponding to crystalline phase. Dependencies of stress concentration coefficient and yield stress of NCs on the average grain size are obtained. It is shown that the dependence of the yield stress has a point of inflection at the critical grain size in the range of 20–25 nm and is inverse to the Hall-Petch relationship at grain sizes smaller than the critical one. The model predicts a formation of a superlattice from disclinations located in triple junctions of grains on the stage of NC plastic flow. A process of the plastic flow of NC's amorphous matrix and amorphous metallic alloys is described as a go-ahead mechanism of dislocation movement, which includes emission, absorption and reemission of dislocations by disclinations.