The Influence of Crystallographic Orientation and Grain Boundary on Nanoindentation Behavior of Inconel 718 Superalloy Based on Crystal Plasticity Theory

The crystal plasticity finite element method(CPFEM)is widely used to explore the microscopic mechanical behavior of materials and understand the deformation mechanism at the grain-level.However,few CPFEM simulation studies have been carried out to analyze the nanoindentation deformation mechanism of polycrystalline materials at the microscale level.In this study,a three-dimensional CPFEM-based nanoindentation simulation is performed on an Inconel 718 polycrystalline material to examine the influence of different crystallographic parameters on nanoindentation behavior.A representative volume element model is developed to calibrate the crystal plastic constitutive parameters by comparing the stress-strain data with the experimental results.The indentation force-displacement curves,stress distributions,and pile-up patterns are obtained by CPFEM simulation.The results show that the crystallographic orientation and grain boundary have little influence on the force-displacement curves of the nanoindentation,but significantly influence the local stress distributions and shape of the pile-up patterns.As the difference in crystallographic orientation between grains increases,changes in the pile-up patterns and stress distributions caused by this effect become more significant.In addition,the simulation results reveal that the existence of grain boundaries affects the continuity of the stress distribution.The obstruction on the continuity of stress distribution increases as the grain boundary angle increases.This research demonstrates that the proposed CPFEM model can well describe the microscopic compressive deformation behaviors of Inconel 718 under nanoindentation.

A CRYSTALLOGRAPHIC MODEL FOR THE ORIENTATION DEPENDENCE OF LOW CYCLIC FATIGUE PROPERTY OF A NICKEL-BASE SINGLE CRYSTAL SUPERALLOY

Fully reversed low cyclic fatigue (LCF) tests were conducted on [0 0 1], [0 1 2], [(1) over bar 1 2], [0 1 1] and [(1) over bar 1 4] oriented single crystals of nickel-bared superalloy DD3 with different cyclic strain rates at 950 degrees C. The cyclic strain rates were chosen as 1.0 x 10(-2), 1.33 x 10(-3) and 0.33 x 10(-3) s(-1). The octahedral slip systems were confirmed to be activated on all the specimens. The experimental result shows that the fatigue behavior depends an the crystallographic orientation and cyclic strain rate. Except [0 0 1] orientation specimens, it is found from the scanning electron microscopy(SEM) examination that there are typical fatigue striations on the fracture surfaces. These fatigue striations are made up of cracks. The width of the fatigue striations depends on the crystallographic orientation and varies with the total strain range. A simple linear relationship exists between the width and total shear strain range modified by an orientation and strain rate parameter. The nonconformity to the Schmid law of tensile/compressive flaw stress and plastic behavior existed at 95 degrees C, and an orientation and strain rate modified Lall-Chin-Pope ( LCP) model was derived for the nonconformity. The influence of crysrallographic orientation and cyclic strain rate on the LCF behavior can be predicted satisfactorily by the model. In terms of an orientation and strain rate modified total strain range, a model for fatigue life was proposed and used successfully to correlate the fatigue lives studied.

NONCLASSICAL PLANE-CRYSTALLOGRAPHIC GROUPS AND THEIR APPLICATIONS Ⅰ

A new nonclassical crystallographic group (NCG) theoretical system is set up.This system can describe infinite kinds of nonclassical periodic structures,especially for those with locally n-fold rotational symmetries forbidden by the rules of the classical crystallography. The formal classification of NCGs is given.

Anisotropy of the crystallographic orientation and corrosion performance of high-strength AZ80 Mg alloy

A high-strength AZ80 Mg alloy was prepared through multi-direction forging,thermal extrusion,and peak-aged heat treatment.The microstructure,crystallographic orientation and corrosion performance of extrusion-direction,transverse-direction,and normal-direction specimens were investigated using scanning electron microscopy,electron backscatter diffraction,and atomic force microscopy,respectively.Experimental results showed that crystallographic orientation significantly influenced the corrosion performance of AZ80 Mg alloy.Corrosion rates largely increased with decreased(0001)crystallographic plane intensity,whereas the(10−10)and(2−1−10)crystallographic plane intensities increased.This study showed that the corrosion rates of alloy can be modified to some extent by controlling texture,thereby promoting the applications of high-strength AZ80 Mg alloys in the aerospace and national-defense fields.

Emission Spectra and Crystallographic Sites of Eu^(2+) in Ca_8Zn(SiO_4)_4Cl_2

The fluorescent characteristic and emission spectra of Eu^(2+) in the cubic structure Ca_8Zn(SiO_4)_4Cl_2 with three kinds of cation sites is reported.The influence of temperature,Eu^(2+) concentra- tion and excitation conditions on fluorescent properties of Eu^(2+) are studied at 77 and 298 K.The coordination number of Eu^(2+) at different sites is obtained.The green and red emission bands arise from Eu_(2+) ions locating on eight- and six- coordinated inequivalent sites respectively.

A crystal plasticity based approach to establish role of grain size and crystallographic texture in the Tension–Compression yield asymmetry and strain hardening behavior of a Magnesium–Silver–Rare Earth alloy

Existence of tension–compression yield asymmetry is a serious limitation to the load bearing capablities of Magnesium alloys in a number of light weight structural applications.The present work is aimed at nullifying the tension to compression asymmetry problem and strain hardening anomalies in a Magnesium–Silver–Rare Earth alloy by engineering different levels of microstructural conditions via friction stir processing and post process annealing.The existence and extent of yield asymmetry ratio in the range of microstructural conditions was experimentally obtained through quasistatic tensile and compression tests.The yield asymmetry problem was profoundly present in specimens of coarse grained microstructures when compared to their fine grained and ultra fine grained counterparts.The impact of the microstructure and associated mechanisms of plasticity on the macroscopic strain hardening behavior was established by Kock–Mecking’s analysis.Crystal plasticity simulations using Viscoplastic Self Consistency approach revealed the consequential role of extension twinning mechanism for the existence of yield asymmetry and anomalies in strain hardening behavior.This was especially dominant with coarsening of grain size.Electron Microscopy and characterization were conducted thoroughly in partially deformed specimens to confirm the predictions of the above simulations.The role of crystallographic texture for inducing the polarity to Tension–Compression yield asymmetry was corroborated.A critical grain size in Magnesium–Silver–Rare earth alloy was hereby established which could nullify influences of extension twinning in yield asymmetry ratio.

Crystallographic texture and earing behavior analysis for different second cold reductions of double-reduction tinplate

Since the production of tinplate with non-earing properties is difficult, especially when it is produced via the double-reduction process, the optimal degree of second cold reduction is particularly important for achieving desirable drawing properties. The evolution of texture and the earing propensity of double-reduction tinplate with different extents of second reduction were investigated in this study. Optical microscopy and scanning electron microscopy were used to observe the changes in the microstructure at various extents of reduction. Two common testing methods, X-ray diffraction（XRD） and electron backscatter diffraction, were used to investigate the texture of the specimens, which revealed the effects of deformation percentage on the final texture development and the change in the grain boundary. The earing rate was determined via earing tests involving measurement of the height of any ear. The results obtained from both XRD analyses and earing tests revealed the same ideal value for the second cold reduction on the basis of the relationship between crystallographic texture and the degree of earing.

Effects of laser surface melting on crystallographic texture, microstructure, elastic modulus and hardness of Ti-30Nb-4Sn alloy

The biocompatibility of orthopedic implants is closely related to their elastic modulus and surface properties.The objective of this study was to determine the effects of cold rolling,recrystallization and laser surface melting(LSM)on the microstructure and mechanical properties of a biphase(α″+β)Ti-30Nb-4Sn alloy.X-ray diffraction(XRD)texture analysis of the cold-rolled substrate revealed the[302]α″//ND texture component,while analysis of the recrystallized substrate showed the[302]α″//ND and[110]α″//ND components.Theβ-phase texture could not be directly measured by XRD,but the presence of the[111]β//ND texture component was successfully predicted by considering the orientation relationship between theα″andβphases.Nanoindentation measurements showed that the elastic modulus of the cold-rolled substrate(63GPa)was lower than that of the recrystallized substrate(74GPa).Based on the available literature and the results presented here,it is suggested that this difference is caused by the introduction of crystal defects during cold deformation.The combined nanoindentation/EBSD analysis showed that the nanoindentation results are not affected by crystal orientation.LSM of the deformed alloy produced changes in hardness,elastic modulus and crystallographic texture similar to those produced by recrystallization heat treatment,creating a stiffness gradient between surface and substrate.

Effect of crystallographic orientation on crack growth behaviour of HSLA steel

In this work,the crack growth behaviours of high strength low alloy(HSLA)steel E690 with three crystallographic orientations(the rolling direction,normal direction,and transverse direction)were investigated and compared from the view of the mechano-electrochemical ef-fect at the crack tip.The results show that the crack growth of the HSLA steel is controlled by the corrosion fracture at the crack tip.The vari-ation of crystallographic orientation in E690 steel plate has no influence on the crack tip electrochemical reaction and crack growth mechanism,but changes the crack growth rate.When the stress loading direction is parallel to the rolling direction and the fracture layer is parallel to the transverse-normal plane,the crack growth rate is the slowest with a value of 0.0185 mm·h^(-1).When the load direction and the fracture layer are parallel to the normal direction and the rolling-transverse plane,respectively,the crack growth rate is the highest with a value of 0.0309 mm·h^(-1).This phenomenon is ascribed to the different microstructural and mechanical properties in the rolling direction,normal direction,and transverse direction of E690 steel plate.

Development of 3D crystallographic orientation measurement for grain deformation analysis in aluminum alloy

Development of inhomogeneous deformation is an interest matter in material engineering. Synchrotron radiation tomography provides 3D distribution map of local strain in polycrystalline aluminum alloy by tracking microstructural features. To perform further deep analysis on development of inhomogeneous deformation, crystallographic grain orientation is necessary. Three-dimensional X-ray diffraction technique was developed. A new crystallographic orientation measurement method was described in 3D space, utilizing grain boundary tracking （GBT） information.

Comparative Study on Inorganic Composition and Crystallographic Properties of Cortical and Cancellous Bone

Objective To comparatively investigate the inorganic composition and crystallographic properties of cortical and cancellous bone via thermal treatment under 700 ℃. Methods Thermogravimetric measurement, infrared spectrometer, X-ray diffraction, chemical analysis and X-ray photo-electron spectrometer were used to test the physical and chemical properties of cortical and cancellous bone at room temperature 250 ℃, 450 ℃, and 650 ℃, respectively. Results The process of heat treatment induced an extension in the a-lattice parameter and changes of the c-lattice parameter, and an increase in the crystallinity reflecting lattice rearrangement after release of lattice carbonate and possible lattice water. The mineral content in cortical and cancellous bone was 73.2wt% and 71.5wt%, respectively. For cortical bone, the weight loss was 6.7% at the temperature from 60 ℃ to 250℃, 17.4% from 250 ℃ to 450 ℃, and 2.7% from 450 ℃ to 700 ℃. While the weight loss for the cancellous bone was 5.8%, 19.9%, and 2.8 % at each temperature range, the Ca/P ratio of cortical bone was 1.69 which is higher than the 1.67 of stoichiometric HA due to the B-type CO32- substitution in apatite lattice. The CaJP ratio of cancellous bone was lower than 1.67, suggesting the presence of more calcium deficient apatite. Conclusion The collagen fibers of cortical bone were arrayed more orderly than those of cancellous bone, while their mineralized fibers ollkded similar. The minerals in both cortical and cancellous bone are composed of poorly crystallized nano-size apatite crystals with lattice carbonate and possible lattice water. The process of heat treatment induces a change of the lattice parameter, resulting in lattice rearrangement after the release of lattice carbonate and lattice water and causing an increase in crystal size and crystallinity. This finding is helpful for future biomaterial design, preparation and application.

The concentration quenching and crystallographic sites of Eu^(2+) in Ca_2BO_3Cl

A yellow phosphor, Ca2BO3CI：Eu2＋, is prepared by the high-temperature solid-state method. Under the condition of excitation sources ranging from ultraviolet to visible light, efficient yellow emission can be observed. The emission spectrum shows an asymmetrical single intensive band centred at 573 nm, which corresponds to the 4f65dl→4f7 transition of Eu2＋. Eu2＋ ions occupy two types of Ca2＋ sites in the Ca2BO3C1 lattice and form two corresponding emission centres, respectively, which lead to the asymmetrical emission of Eu2＋ in Ca2BO3C1. The emission intensity of Eu2＋ in Ca2BO3C1 is influenced by the Eu2＋ doping concentration. Concentration quenching is discovered, and its mechanism is verified to be a dipole-dipole interaction. The value of the critical transfer distance is calculated to be 2.166 nm, which is in good agreement with the 2.120 nm value derived from the experimental data.

Optical 2-benzyl-5-hydroxy-4-oxopentanoic acids against carboxypeptidase A:Synthesis,kinetic evaluation and X-ray crystallographic study

2-Benzyl-5-hydroxy-4-oxopentanoic acid 1 and its enantiomers were designed,synthesized and assayed for inhibitory activity against carboxypeptidase A(CPA,EC 3.4.17.1).To verify the role of the terminal hydroxyl group in 1 binding to CPA,2-benzyl-5- benzyloxy-4-oxopentanoic acid 2 was also synthesized and evaluated.The inhibition constants show that both L-1 and D-1 were shown to have strong binding affinity with L-1 being more potent than its enantiomer by 165-fold.On the other hand,the inhibition constant ...

Classification of Crystallographic Groups in the Hyperbolic 5-Dimensional Indefinite Space

Let V be a hyperbolic 5-dimensional indefinite space. W is the infinite Weyl group of an irreducible root system. The principal aim of this paper is to classify all crystallgraphic groups associated with W up to conjugation in the affine group A(V).

Effect of Crystallographic Orientation on Quenching Stress during Martensitic Phase Transformation of Carbon Steel Plate

During quenching, the residual stresses are affected by the crystallographic orientation of martensite, because the nonuniform thermal stresses affect the crystallographic orientation of the lathshaped martensite and induce the anisotropic expansion. To simulate this process, the model of anisotropic transformation induced plasticity（TRIP） was built using the WLR-BM phenomenological theory. The equivalent expansion coefficient was introduced considering the thermal and plastic strains, which simplified the numerical simulation. Furthermore, the quenching residual stresses in carbon steel plates were calculated using the finite element method under ANSYS Workbench simulation environment. To evaluate the simulative results, distributions of residual stresses from the surface to the interior at the center of specimen were measured using the layer-by-layer hole-drilling method. Compared to the measured results, the simulative results considering the anisotropic expansion induced by the crystallographic orientation of martenstic laths were found to be more accurate than those without considering it.

Photoluminescence of SiV centers in CVD diamond particles with specific crystallographic planes

We prepared the isolated micrometer-sized diamond particles without seeding on the substrate in hot filament chemical vapor deposition. The diamond particles with specific crystallographic planes and strong silicon-vacancy(SiV) photoluminescence(PL) have been prepared by adjusting the growth pressure. As the growth pressure increases from 2.5 to 3.5 kPa,the diamond particles transit from composite planes of {100} and {111} to only smooth {111} planes. The {111}-faceted diamond particles present better crystal quality and stronger normalized intensity of SiV PL with a narrower bandwidth of 5 nm. Raman depth profiles show that the SiV centers are more likely to be formed on the near-surface areas of the diamond particles, which have poorer crystal quality and greater lattice stress than the inner areas. Complex lattice stress environment in the near-surface areas broadens the bandwidth of SiV PL peak. These results provide a feasible method to prepare diamond particles with specific crystallographic planes and stronger SiV PL.

A Study on the Determination of Crystallographic Orientation of Diamond Crystals with Laser

The correct selection of the crystallographic orientation of diamonds is of prime importance to raise the toolthe. In thes paper, a new method for the determination of crystallographic orientations of diamonds-Laser DiffractionTechnique(LDT) is introduced. me principle of this methed is discussed and formation mechanism of the diffractionimages is analyzed. The position of each crystal plane and easy-to-grind direction can be directly decided from the pattern of the diffraction picture.

A Modified WLR Method for Crystallographic Analysis on Martensitic Transformations in Cu-base Shape Memory Alloys

A modified WLR method for bcc to monoclinic transformations has been developed. With the aid of computer,the habit planes,the magnitude of the lattice invariant shear,rotation matrix and the total transformation matrix have been calculated for five alloys being in good agree- ment with the observations.

Syntheses, Crystallographic and Magnetic Properties of Nd_3Fe_(29-x)Cr_x and Other Associated Compounds

A systematic study of syntheses and magnetic properties of the Nd_3Fe_(29-x)Cr_x (x=4.5, 4.7, 5.0, and 5.5) compounds has been performed. The single-phase compounds of Nd_3Fe_(29-x)Cr_x can be formed in the range 4.5≤ x ≤ 5.5. The Curie temperature T_C, the saturation magnetization M_s at 4.2 K, the anisotropy field H_A at 4.2 K and room temperature. and the intra-sublattice exchange coupling parameter j_(FeFe) at 4.2 K for the Nd_3Fe_(29-x)Cr_x compounds decrease with increasing Cr composition from x=4.5 to 5.5, respectively. Nitrogenation and carbonation, unlike hydrogenation. result mainly in improvements of the Curie temperature, the saturation magnetization and the anisotropy field at 4.2 K and room temperature for the Nd_3Fe_(29-x)Cr_x compounds compared with their parent compounds.

Crystallographic and Morphological Sensitivity of N_(2) Activation over Ruthenium

Ruthenium(Ru)serves as a promising catalyst for ammonia synthesis via the Haber-Bosch process,identification of the structure sensitivity to improve the activity of Ru is important but not fully explored yet.We present here density functional theory calculations combined with microkinetic simulations on nitrogen molecule activation,a crucial step in ammonia synthesis,over a variety of hexagonal close-packed(hcp)and face-center cubic(fcc)Ru facets.Hcp{2130}facet exhibits the highest activity toward N_(2) dissociation in hcp Ru,followed by the(0001)monatomic step sites.The other hcp Ru facets have N_(2) dissociation rates at least three orders lower.Fcc{211}facet shows the best performance for N_(2) activation in fcc Ru,followed by{311},which indicates stepped surfaces make great contributions to the overall reactivity.Although hcp Ru{2130}facet and(0001)monatomic step sites have lower or comparable activation barriers compared with fcc Ru{211}facet,fcc Ru is proposed to be more active than hcp Ru for N_(2) conversion due to the exposure of the more favorable active sites over step surfaces in fcc Ru.This work provides new insights into the crystal structure sensitivity of N_(2) activation for mechanistic understanding and rational design of ammonia synthesis over Ru catalysts.