INFLUENCE OF A MISORIENTATION ANGLE ON AN ENERGR OF THE SYMMETRIC GRAIN BOUNDARY IN FCC METALS

In the present work the research of grain boundary (CB) energy versus angle of misorientation in fcc metals Al, Cu, An and Ni was carried out. An axis of CB misorientation is a direction [100], angle of misorientation makes from 2皍p in 23*. The interatomic interaction was opproximated by Morse' s pair semi-empirical potential. Two variants of relaxation technique were used: (1) rigid relax- ation with the change of atom quantity per a GB (vacancy relaxation ) and (2) full atomic relaxation by a molecular static method. The obtained orientation dependence has a good agreement with experi- ment. There are cusps on a curve in the range of special GB angles.The comparison of obtained curves with calculated ones in model Van der Merwe was carried out. Dependencies obtained in our investiga- tions are not smooth and have an oscillatory character. The oscillations reflect a discrete structure of a lattice.

Control of symmetric properties of metamorphic In0.27Ga0.73As layers by substrate misorientation

Asymmetry in dislocation density and strain relaxation has a significant impact on device performance since it leads to anisotropic electron transport in metamorphic materials. So it is preferred to obtain metamorphic materials with symmetric properties. In this paper, we grew metamorphic Ino.27Gao.73As epilayers with symmetric low threading dislocation density and symmetric strain relaxation in two （110） directions using InA1GaAs buffer layers on 7° misoriented GaAs （001） substrates. To understand the control mechanism of symmetric properties of Ino.27Gao.73As layers by the substrate miscut angles, Ino.27Gao.73As grown on 2° and 15° misoriented substrates were also characterized as reference by atomic force microscopy, transmission electron microscopy, and high resolution triple axis x-ray diffraction. The phase separation and interaction of 60° misfit dislocations were found to be the reasons for asymmetry properties of Ino.27Gao33As grown on 2° and 15° substrates, respectively. Photoluminescence results proved that the Ino.27G°ao.73As with symmetric properties has better optical properties than the Ino.27Gao.73As with asymmetric properties at room temperature. These results imply that high quality metamorphic Ino.27Gao.73As can be achieved with controllable isotropic electron transport property.

Effect of Effective Grain Size and Grain Boundary of Large Misorientation on Upper Shelf Energy in Pipeline Steels

X65, X70, and X80 belong to high grade pipeline steels. Toughness is one of the most important properties of pipeline steels when the pipeline transports the gas or oil, and the means to control toughness is very important for exploring even higher grade pipeline steels. We established the relationship between toughness and crystallographic parameters of high grade pipeline steels by studying the crystallographic parameters of X65, X70, and X80 using EBSD and analyzing Charpy CVN of X65, X70 and X80. The results show that the effective grain size, the frequency distribution of grain boundary misorientation and the ratio of high angle grain boundary to small angle grain boundary are important parameters. The finer the effective grain size, and the higher the frequency distribution of grain boundaries （〉 50~）, the more excellent toughness of high grade pipeline steels will be.

High-temperature fatigue strength of grain boundaries with different misorientations in nickel-based superalloy bicrystals

Nickel-based single-crystal superalloys are widely used in the manufacture of aeroengine turbine vanes for their excellent high-temperature performance. Low-angle grain boundaries (LAGBs) will be generated inevitably during their manufacture, which are often characterized by grain boundary misorientation (GBM) and will weaken the mechanical properties of superalloys. However, the relationship between GBM and the fatigue properties of superalloys at elevated temperatures has seldom been investigated due to the difficulty in the sample preparation and experiment process. Based on six kinds of bicrystals with different tilt LAGBs made by a second-generation single-crystal superalloy, the effects of misorientation on the grain boundary microstructure and fatigue properties (980 °C) of superalloys were studied systematically in this work. It is found that, with the increase of GBM, the GB precipitates combined with the cast micropores increase monotonically, accordingly both the fatigue life and fatigue strength decrease successively. Fatigue fracture observations show that the cracks of all the bicrystals initiated from the cast micropores at GBs, and then propagated along the GBs. Therefore, the coupling effect of cast micropores and GBM on the fatigue damage mechanisms of the bicrystals are evaluated according to their hindering degrees on the piled-up dislocations. Combining with a hysteresis energy model, a quantitative fatigue strength prediction model of superalloys is established and is well verified by abundant experimental data. This study could provide guidance for fatigue performance prediction and structural design of superalloys.

Effect of Mg Addition on the Ferrite Grain Boundaries Misorientation in HAZ of Low Carbon Steels

The relation between the Mg treatment and ferrite grain boundaries misorientation was investigated. The orientation imaging microscopy technique based on electron backscattered diffraction technique （EBSD） was used in this work. （t was found that the addition of 0.005 wt% Mg to the steel could evidently increase the ratio of acicular ferrite crystals appearing at large angles boundaries to each other, which was attributed to the nucleation of the second-phase particles by the Mg treatment. The FBSD techniques provide a power- ful method to characterize and quantify the ferrite grain boundaries misorientation, in order to relate it to toughness.

Misorientation dependent thermal condition-solute field cooperative effect on competitive grain growth in the converging case during directional solidification of a nickel-base superalloy

Nowadays,thermal condition and solute field are considered as the potential dominant factors controlling competitive grain growth during directional solidification process.However,the controlling modes and critical conditions of competitive grain growth have been drastically debated over the past two decades.In this work,thermal condition and solute field are combined to study the competitive grain growth in the converging case by experimental observation and numerical simulation of bicrystal samples.We find the competitive grain growth is controlled by the cooperative effect of thermal condition and solute field,and the controlling modes are related to the bicrystal misorientation between favorably and unfavorably oriented grains.When the unfavorably oriented grain is low misoriented,unfavorably oriented grain dominates grain selection,and the competitive grain growth performs as solute field domination.However,with the increase of unfavorably oriented grain’s misorientation,the grain selection converts into favorably oriented grain domination,and the competitive grain growth changes to thermal condition domination.To explain these abnormal transformation phenomena,we propose a misorientation dependent thermal condition-solute field cooperative domination model and identify the critical conditions by a critical misorientation(θ_(cm)).According to dynamic equation of dendrite growth,we calculate the critical misorientationθ;to prove this model.The theoretical calculation results agree well with the experimental results.

Deformation mode-determined misorientation and microstructural characteristics in rolled pure Zr sheet

In this work, commercially pure Zr sheets were subjected to β air cooling and then rolled to different reductions(10% and 50%)at room temperature. Microstructures of both the β-air-cooled and the rolled specimens were well characterized by electron channelling contrast imaging and electron backscatter diffraction techniques, with special attentions paid to their misorientation characteristics. Results show that the β-air-cooled specimen owns a Widmanst?tten structure featured by lamellar grains with typical phase transformation misorientations. The 10% rolling allows prismatic slip and tensile twinning({11-21}<11-2-6> and{10-12}<10-11>) to be activated profusely, which produce new low-angle(~3°–5°) and high-angle(~35° and ~85°) misorientation peaks, respectively. After increasing the rolling reduction to 50%, twinning is suppressed and dislocation slip becomes the dominant deformation mode, with the lamellar grains highly elongated and aligned towards the rolling direction.Meanwhile, only one strong low-angle misorientation peak related to the prismatic slip is presented in the 50%-rolled specimen,with all other peaks disappeared. Analyses on local misorientations reveal that hardly any residual strains exist in the β-air-cooled specimen, which should be related to their sufficient relaxation during slow cooling. Residual strains introduced by 10% rolling are heterogeneously distributed near grain/twin boundaries while heavier deformation(50% rolling) produces much larger residual strains pervasively existing throughout the specimen microstructure.

Misorientation characteristics and textural changes induced by dense twins in high-purity Ti sheet after small strain rolling

A high-purity Ti(HP-Ti)sheet was subjected to small strain rolling(10%reduction)with microstructural and textural characteristics examined by electron channeling contrast imaging and electron backscatter diffraction techniques.Particular attentions were paid to misorientation and textural changes aroused by twins in the rolled HP-Ti sheet.Results show that after the 10%rolling,almost all the prior equiaxed grains in the initial specimen are twinned,leading to remarkable grain refinement.The presence of two major misorientation angle peaks around 65°and 85°is ascribed to{11-22}<11-23>and{10-12}<10-11>twinning,respectively,and two minor peaks around 47°and 77°are due mainly to impingement of various variants of such twins.Distinct from earlier work,the small strain rolling is confirmed to be able to induce drastic textural changes in pure Ti sheets:largely reduced texture intensity and appearance of new textural components.This can essentially be attributed to enhanced twinning activity due to much lower impurity contents of the present material.Primary{11?22}twins are mainly responsible for the new textural component of c-axes aligned near the rolling direction with spread,while the component of caxes parallel to the normal direction is due to reorientation of secondary{10-12}twins.This study clearly demonstrates the capability of small strain rolling to effectively modify both microstructures and textures of the HP?Ti sheet and may shed some light on exploring feasible processings for such materials.

Fracture mode identification of low alloy steels and cast irons by electron back-scattered diffraction misorientation analysis

The fracture modes of low alloy steels and cast irons under tensile and fatigue conditions were identified by electron back-scattered diffraction（EBSD） misorientation analysis in this research. The curves of grain reference orientation deviation（GROD） distribution perpendicular to the fracture surface were obtained by EBSD observation, and the characteristics of each fracture mode were identified. The GROD value of the specimen fractured in tension decreases to a constant related to the elongation of corresponding specimen in the far field（farther than 5 mm away from the fracture surface）. The peak exhibits in GROD curves of two smooth specimens and a notched specimen near the fracture surface（within 5 mm away from the fracture surface）, and the formation mechanisms were discussed in detail based on the influences of specimen geometries（smooth or notched） and material toughness. The GROD value of fatigue fractured specimen is close to that at undeformed condition in the whole field, except the small area near the crack path. The loading conditions（constant stress amplitude loading or constant stress intensity factor range K loading） and the EBSD striation formation during fatigue crack propagation were also studied by EBSD observation parallel to the crack path.

Production of Mg-Al-Zn magnesium alloy sheets with ultrafine-grain microstructure by accumulative roll-bonding

Accumulative roll-bonding （ARB） was applied to Mg-Al-Zn magnesium alloy sheets to prepare ultrafine-grain microstructure. Significant grain refinement is achieved after three cycles of ARB with average grain size of about 1.3 μm. The microstructure is characterized by nearly uniform ultrafine equiaxed microstructure without twins. The evolution of the misorientation distribution during ARB was measured by EBSD. Grain refinement can be contributed to the grain subdivision induced by severe accumulated strain, the accumulated strain enhanced concurrent dynamic recovery and recrystallization as well as the complicated distribution of interface and shear strain during ARB.

Texture Analysis of Damascene Copper Interconnects

Texture and grain boundary character distribution of Cu interconnects with different line width for as-deposited and annealed conditions were measured by EBSD. All specimens appear mixed texture and （111） texture is the dominate component.As-deposited interconnects undergo the phenomenon of self-annealing at RT,in which some abnormally large grains are found. Lower aspect ratio of lines and anneal treatment procured larger grains and stronger （111） texture. Meanwhile, the intensity proportion of other textures with lower strain energy to （111） texture is decreased. As-deposited specimens reveal （111）（112？ and （111） （231） components, （111） （110） component appeared and （111） （112？ and （111） （231） components were developed during the annealing process. High angle boundaries are dominant in all specimens, boundaries with a misorientation of 55°-60° and ∑3 ones in higher proportion, followed by lower boundaries with a misorientation of 35°-40° and 29 boundaries. As the aspect ratio of lines and anneal treatment increase,there is a gradual in- crement in ∑3 boundaries and a decrease in ∑9 boundaries.

In situ analysis of multi-twin morphology and growth using synchrotron polychromatic X-ray microdiffraction

Synchrotron polychromatic X-ray microdiffraction（micro-XRD） was applied to study in situ deformation twinning of commercially AZ31（Mg-3Al-1Zn） strip subjected to uniaxial tension.The morphology and growth of twins were analyzed in situ under the load level from 64 to 73 MPa.The X-ray microdiffraction data,collected on beamline 12.3.2 at the Advanced Light Source,were then used to map an area of 396μm x 200μm within the region of interest.The experimental set-up and X-ray diffraction microscopy with a depth resolution allow the position and orientation of each illuminated grain to be determined at the submicron size.A list of parent grains sorted by crystallographic orientation were selected to examine their twinning behavior.The results depict twin variant selection,local misorientation fluctuation and mosaic spread for multi-twins within the same parent grain.As load increases,the amplitude of misorientation fluctuation along twin trace keeps increasing.This is attributable to the accumulation of geometrically necessary dislocations.

Relationships between microhardness, microstructure, and grain orientation in laser-welded joints with different welding speeds for Ti6Al4V titanium alloy

The microhardness curve trend and its relationships with microstructure and misorientation were analyzed to enhance the comprehension of the microstructure and mechanical property of micro-areas in Ti6 Al4 V laser-welded joints with different welding speeds. The microhardness measured on the fusion line(H_m) is the highest from the weld center to the base metal. H_m increases with increasing weld width in a welded joint and increasing degree of the non-uniformity in all studied welded joints. The microhardness decreases from the weld metal to the base metal with decreasing amount of martensite α’ and increasing amount of original α phase. When the microstructure is mainly composed of martensite α’, the microhardness changes with the cooling rate, grain size of the martensite, and peak values of the fraction of misorientation angle of the martensite in a wide weld metal zone or weld center at different welding speeds, whereas the difference is small in a narrow weld metal zone.

Effect of thermal deformation parameters on the microstructure, texture, and microhardness of 5754 aluminum alloy

The evolution of the microstructure, texture, and microhardness of 5754 aluminum alloy subjected to high-temperature plastic deformation under different deformation conditions was studied on the basis of thermal simulations and electron-backscattered diffraction and Vickers microhardness experiments. The results of a misorientation angle study show that an increase in the deformation temperature and strain rate promoted the transformation of low-angle grain boundaries to high-angle grain boundaries, which contributed to dynamic recrystallization. The effect of the deformation parameters on the texture and its evolution during the recrystallization process was explored on the basis of the orientation distribution function. The results demonstrate that the deformed samples mainly exhibited the features of type A, B, and B textures. The formation and growth of the recrystallized grains clearly affected the texture evolution. The microhardness results show that the variation of the microhardness was closely related to the temperature, strain rate, and dynamic recrystallization.

Temperature dependence of microstructure and texture in cold drawn aluminum wire

The effect of strain and drawing temperature on the evolution of microstructure and fiber textures of aluminum wiresdrawn at room temperature and cryogenic temperature was investigated by TEM and EBSD observations.The results show that lowangle boundaries frequency increases and high angle boundaries frequency decreases with strain increasing when the strain is low.Athigh strain,most of grain and dislocation boundaries are parallel to the drawn direction and low angle boundaries frequencydecreases and high angle boundaries frequency increases with strain increasing.The decrease of deformation temperature leads tomicrostructure finer and low angle boundaries frequency increasing.Texture analysis indicates that volume fraction of complextexture component decreases with strain increasing and a mixture of?111?and?100?fiber texture forms at high strain.?111?is stableat low strains but?100?becomes stable at high strain.The decrease of temperature can enhance the stability of?111?orientation athigh strain.

Moirésuperlattice modulations in single-unit-cell FeTe films grown on NbSe_(2)single crystals

Interface can be a fertile ground for exotic quantum states,including topological superconductivity,Majorana mode,fractal quantum Hall effect,unconventional superconductivity,Mott insulator,etc.Here we grow single-unit-cell(1UC)FeTe film on NbSe_(2)single crystal by molecular beam epitaxy(MBE)and investigate the film in-situ with a home-made cryogenic scanning tunneling microscopy(STM)and non-contact atomic force microscopy(AFM)combined system.We find different stripe-like superlattice modulations on grown FeTe film with different misorientation angles with respect to NbSe_(2)substrate.We show that these stripe-like superlattice modulations can be understood as moirépattern forming between FeTe film and NbSe_(2)substrate.Our results indicate that the interface between Fe Te and NbSe2 is atomically sharp.By STM-AFM combined measurement,we suggest that the moirésuperlattice modulations have an electronic origin when the misorientation angle is relatively small(≤3°)and have structural relaxation when the misorientation angle is relatively large(≥10°).

Effect of Electron Beam Orientation on Exit Wave Function via Simulation of Electron Dynamic Diffraction

Based on the electron dynamic diffraction, phase shift of the exit wave function vs misorientation of the incident electron beam from the exact zone axis has been calculated for the [001] oriented copper. The result shows that the peak of phase shift is the maximum at the atom position as the electron beam along the exact [001] zone axis, and the peak value of phase shift decreases as increases of the misorientation. At small misorientation, i.e. less than 5 degree, change of the phase shift is minimal. The peak value of phase shift decreases significantly when the incident beam deviates form the zone axis over 10 degree and the exit wave has a planar configuration as the misoriention angle arrives -17 degree. The effect of this phase shift characteristics on the information extracted from the hologram has also been considered.

Characterization of the N-polar GaN film grown on C-plane sapphire and misoriented C-plane sapphire substrates by MOCVD

Gallium nitride(GaN) thin film of the nitrogen polarity(N-polar) was grown on C-plane sapphire and misoriented C-plane sapphire substrates respectively by metal-organic chemical vapor deposition(MOCVD). The misorientation angle is off-axis from C-plane toward M-plane of the substrates, and the angle is 2°and 4°respectively. The nitrogen polarity was confirmed by examining the images of the scanning electron microscope before and after the wet etching in potassium hydroxide(KOH) solution. The morphology was studied by the optical microscope and atomic force microscope. The crystalline quality was characterized by the x-ray diffraction. The lateral coherence length, the tilt angle, the vertical coherence length, and the vertical lattice-strain were acquired using the pseudo-Voigt function to fit the x-ray diffraction curves and then calculating with four empirical formulae. The lateral coherence length increases with the misorientation angle, because higher step density and shorter distance between adjacent steps can lead to larger lateral coherence length.The tilt angle increases with the misorientation angle, which means that the misoriented substrate can degrade the identity of crystal orientation of the N-polar GaN film. The vertical lattice-strain decreases with the misorientation angle. The vertical coherence length does not change a lot as the misorientation angle increases and this value of all samples is close to the nominal thickness of the N-polar GaN layer. This study helps to understand the influence of the misorientation angle of misoriented C-plane sapphire on the morphology, the crystalline quality, and the microstructure of N-polar GaN films.

Phase Field Modelling Allotropic Transformation of Solid Solution

Based on multiphase field conception and integrated with the idea of vector-valued phase field,a phase field model for typical allotropic transformation of solid solution is proposed.The model takes the non-uniform distribution of grain boundaries of parent phase and crystal orientation into account in proper way,as being illustrated by the simulation of austenite to ferrite transformation in low carbon steel.It is found that the misorientation dependent grain boundary mobility shows strong influence on the formation of ferrite morphology comparing with the weak effect exerted by misorientation dependent grain boundary energy.The evolution of various types of grain boundaries are quantitatively characterized in terms of its respective grain boundary energy dissipation.The simulated ferrite fraction agrees well with the expectation from phase diagram,which verifies this model.