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.

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.

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.

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.

Influence of crystallographic orientation on growth behavior of spherical voids

The influence of crystallographic orientation on the void growth in FCC crystals was numerically simulated with 3D crystal plasticity finite element by using a 3D unit cell including a spherical void, and the rate-dependent crystal plasticity theory was implemented as a user material subroutine. The results of the simulations show that crystallographic orientation has significant influence on the growth behavior of the void. Different active slip systems of the regions around the void cause the discontinuity in lattice rotation around the void, and the corner-like region is formed. In the case of the void located at grain boundary, large heterogeneous deformation occurs between the two grains, and the equivalent plastic deformation along grain boundary near the void in the case of θ=45^o （θ is the angle between grain boundary direction and X-axis） is larger than the others. Large difference of orientation factor of the two grains leads to large equivalent plastic deformation along grain boundary, and the unit cell is more likely to fail by intergranular fracture.

Effect of crystallographic orientations on transport properties of methylthiol-terminated permethyloligosilane molecular junction

The understanding of the influence of electrode characteristics on charge transport is essential in the field of molecular electronics.In this work,we investigate the electronic transport properties of molecular junctions comprising methylthiolterminated permethyloligosilanes and face-centered crystal Au/Ag electrodes with crystallographic orientations of(111)and(100),based on the ab initio quantum transport simulations.The calculations reveal that the molecular junction conductance is dominated by the electronic coupling between two interfacial metal–S bonding states,which can be tuned by varying the molecular length,metal material of the electrodes,and crystallographic orientation.As the permethyloligosilane backbone elongates,although theσconjugation increases,the decreasing of coupling induced by the increasing number of central Si atoms reduces the junction conductance.The molecular junction conductance of methylthiol-terminated permethyloligosilanes with Au electrodes is higher than that with Ag electrodes with a crystallographic orientation of(111).However,the conductance trend is reversed when the electrode crystallographic orientation varies from(111)to(100),which can be ascribed to the reversal of interfacial coupling between two metal–S interfacial states.These findings are conducive to elucidating the mechanism of molecular junctions and improving the transport properties of molecular devices by adjusting the electrode characteristics.

Analysis of crystallographic orientation and morphology of microstructure during hot working for an alpha/beta titanium alloy

This work focuses on analysis of microstructure morphology and crystallographic orientation for Ti-17 alloy during hot working.The results show that alpha phase and beta phase influence each other and there is a coordinate deformation between them.The non-uniform deformation is observed under small deformation conditions.The observing area can be divided into small deformation zone(area L)and large deformation zone(area H).Both alpha and beta phases remain the initial morphology,and they have better capability of coordinate deformation in area L,while coordinate capability is weak in area H in which alpha phase is globularized.Correspondingly,the Burgers orientation relations are well preserved in area L,but the orientation relations are more or less destroyed in area H.Dynamic recovery is the main mechanism of beta phase evolution when height reduction is lower.By contrast,the continuous dynamic recrystallization(CDRX)of beta phase gradually dominates the deformation pattern as the deformation increases.An uniformly globularized alpha structure is obtained under large deformation condition.The unsynchronized rotation of alpha phase around<11-20>pole occurs during deformation,which leads to the uniform crystal structure inside the same alpha lamellae.This process is an important step of globularization of the lamellar structure.

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.

Influence of Defects and Crystallographic Orientation on Mechanical Behavior of Nanocrystalline Aluminium

Simulation of molecular dynamics using Embedded Atom Method(EAM) potentials is performed to investigate the mechanical properties of single crystal Al along various crystallographic orientations under tensile loading.The specimens are provided with one or two embedded circular voids to analyze the damage evolution by void growth and coalescence.The simulation result shows that the Young's modulus,yielding stress and ultimate stress decrease with the emergence of the voids.Besides,the simulations show that the single-crystal Al in different crystallographic orientations behaves differently in elongation deformations.The single-crystal Al with 100 crystallographic orientations has greater ductility than other orientated specimens.The incipient plastic deformation and the stress-strain curves are presented and discussed for further understanding of the mechanical properties of single-crystal Al.

Crystallographic orientation effect on cutting-based single atomic layer removal

The ever-increasing requirements for the scalable manufacturing of atomic-scale devices emphasize the significance of developing atomic-scale manufacturing technology. The mechanism of a single atomic layer removal in cutting is the key basic theoretical foundation for atomic-scale mechanical cutting. Material anisotropy is among the key decisive factors that could not be neglected in cutting at such a scale. In the present study, the crystallographic orientation effect on the cutting-based single atomic layer removal of monocrystalline copper is investigated by molecular dynamics simulation. When undeformed chip thickness is in the atomic scale, two kinds of single atomic layer removal mechanisms exist in cutting-based single atomic layer removal, namely, dislocation motion and extrusion, due to the differing atomic structures on different crystallographic planes. On close-packed crystallographic plane, the material removal is dominated by the shear stress-driven dislocation motion, whereas on non-close packed crystallographic planes, extrusion-dominated material removal dominates. To obtain an atomic, defect-free processed surface, the cutting needs to be conducted on the close-packed crystallographic planes of monocrystalline copper.

Influence of strain rate and crystallographic orientation on dynamic recrystallization of pure Zn during room-temperature compression

This work investigates the strain rate dependence of dynamic recrystallization behaviour of high-purity zinc in room temperature compression under strain rates of 10^(-4)s^(-1),10-2s^(-1)and 0.5 s^(-1).Results from electron backscatter diffraction provide insight into the deformation and dynamic recrystallization mechanisms operative.Continuous dynamic recrystallization,twin-induced dynamic recrystallization,and discontinuous dynamic recrystallization are all active under compressive deformation at room temperature.Due to the high stacking fault energy of Zn,continuous dynamic recrystallization is the dominant mechanism while discontinuous dynamic recrystallization only operates in the early stages of compression at 10^(-4)s^(-1).Dynamic recrystallization kinetics are enhanced at higher strain rates(10^(-2)s^(-1)and 0.5s^(-1))due to an increased contribution from twin-induced dynamic recrystallization.The present study reveals that the controlling mechanisms for continuous dynamic recrystallization are basalslip and 2ndorder pyramidalslip activity.Because the activation of slip systems is mainly determined by crystallographic orientation,continuous dynamic recrystallization behaviour varies with grain orientation according to their propensity for basal and 2ndorder pyramidal slip.

The role of Cu crystallographic orientations towards growing superclean graphene on meter-sized scale

Chemical vapor deposition(CVD)-grown graphene films on Cu foils,exhibiting fine scalability and high quality,are still suffering from the adverse impact of surface contamination,i.e.,amorphous carbon.Despite the recent successful preparation of superclean graphene through Cu-vapor-assisted reactions,the formation mechanism of amorphous carbon remains unclear,especially with regard to the functions of substrates.Herein,we have found that the crystallographic orientations of underlying metal substrates would determine the cleanness of graphene in such a way that slower diffusion of active carbon species on asformed graphene-Cu(100)surface is the key factor that suppresses the formation of contamination.The facile synthesis of clean graphene is achieved on the meter-sized Cu(100)that is transformed from the polycrystalline Cu foils.Furthermore,a clean surface of graphene on Cu(100)ensures the reduction of transfer-related polymer residues,and enhanced optical and electrical performance,which allows for versatile applications of graphene in biosensors,functioning as flexible transparent electrodes.This work would offer a promising material platform for the fundamental investigation and create new opportunities for the advanced applications of high-quality graphene films.

Toplayer-dependent crystallographic orientation imaging in the bilayer two-dimensional materials with transverse shear microscopy

Nanocontact properties of two-dimensional(2D)materials are closely dependent on their unique nanomechanical systems,such as the number of atomic layers and the supporting substrate.Here,we report a direct observation of toplayer-dependent crystallographic orientation imaging of 2D materials with the transverse shear microscopy(TSM).Three typical nanomechanical systems,MoS_(2) on the amorphous SiO_(2)/Si,graphene on the amorphous SiO_(2)/Si,and MoS_(2) on the crystallized Al_(2)O_(3),have been investigated in detail.This experimental observation reveals that puckering behaviour mainly occurs on the top layer of 2D materials,which is attributed to its direct contact adhesion with the AFM tip.Furthermore,the result of crystallographic orientation imaging of MoS_(2)/SiO_(2)/Si and MoS_(2)/Al_(2)O_(3) indicated that the underlying crystalline substrates almost do not contribute to the puckering effect of 2D materials.Our work directly revealed the top layer dependent puckering properties of 2D material,and demonstrate the general applications of TSM in the bilayer 2D systems.

Influence of Cu content on microstructure,grain orientation and mechanical properties of Sn-xCu lead-free solders

The effect of Cu content on the microstructure,grain orientation and mechanical properties of Sn-xCu(x=0-4.0 wt.%)lead-free solder was studied.Results showed that added Cu induced the formation of intermetallic phases.Only theη-Cu;Sn;andε-Cu;Sn phases were present in theβ-Sn matrix.For all contents,the strongly preferred orientation of theβ-Sn phase was formed on the{001}plane.In Sn doped with 1.0 wt.%Cu,theη-Cu;Sn;phase exhibited the preferred orientation of{0001}plane,whereas doping with 3.0 or 4.0 wt.%Cu transformed the preferred orientation to the{010}plane.In addition,only the{0001}and{■}planes were present in theε-Cu;Sn phase.The high Cu contents contributed to an increased number of low-angle boundaries,high residual strain,tensile strength and microhardness.

Controlled crystal orientation of two-dimensional Ruddlesden-Popper halide perovskite films for solar cells

Metal halide perovskite solar cells have attracted considerable attention because of their high-power conversion efficiency and costeffective solution-processable fabrication;however,they exhibit poor structural stability.Two-dimensional(2D)Ruddlesden-Popper(RP)perovskites could address the aforementioned issue and present excellent stability because of their hydrophobic organic spacer cations.However,the crystallographic orientation of 2D crystals should be perpendicular to the bottom substrates for charges to transport fast and be collected in solar cells.Moreover,controlling the crystallographic orientation of the 2D RP perovskites prepared by the solution process is difficult.Herein,we reviewed the progress of recent research regarding 2D RP perovskite films with the focus on the crystallographic orientation mechanism and orientation controlling methods.Furthermore,the current issues and prospects of 2D RP perovskites in the photovoltaic field were discussed to elucidate their development and application in the future.

2D and 3D orientation mapping in nanostructured metals: A review

Nanostructured metals possess various excellent properties and offer the potential for a wide range of applications.Improvements in the properties and performance of nanostructured metal components motivate a complete characterization of the microstructures and crystallographic orientations of nanostructured metals with nanoscale spatial resolution.Two well developed orientation mapping techniques for such characterization are electron backscatter diffraction(EBSD)in the scanning electron microscope and precession electron diffraction(PED)using diffraction spots in the transmission electron microscope.However,these methods can only characterize the structure in two dimensions.It is still a great challenge to characterize grains in three dimensions,i.e.from the interior of the nanostructured metals.Recently,three-dimensional orientation mapping in the transmission electron microscope(3 D-OMi TEM)was developed and further improvements of this technique are introduced in this paper.Utilization of these orientation mapping techniques for structural and orientational characterizations are demonstrated by examples of surface-deformed metals with gradient nanostructures,and a sputtered gold film of nano-islands containing nanograins.The merits and challenges of each of these techniques are discussed and suggestions for further developments are proposed.

Effect of seed orientations on crystallographic texture control in faceted Al2O3/YAG eutectic ceramic during directional solidification

Crystallographic texture control is a major challenge in directionally solidified multiphase eutectic ceramics with complex faceted growth characteristics.In this study,the Czochralski(CZ)technique is proposed to prepare eutectic single crystal ceramic with large size(30 mm×125 mm).A highly oriented and unique texture of Al_(2)O_(3)/Y_(3)Al_(5)O_(12)(YAG)eutectic ceramic is formed via the 112¯0Al_(2)O_(3) single crystal seed induction based on crystallographic orientation tailoring.The orientations of Al_(2)O_(3)/YAG eutectic are more strictly constrained by single crystal seed induction on the basis of the minimum interface energy principle,resulting in a defined single orientation relationship along the solidification direction.In particular,the single crystallographic orientation can be obtained in a short competitive solidification distance under the influence of epitaxial solidification from single crystal seed.Therefore,it has been confirmed that the orientations of 112¯0Al_(2)O_(3) and 111YAG are preferentially stabilized with the minimum under-cooling during directional solidification.Crystallographic orientation disturbances and instabilities due to polycrystalline crystal seed are avoided.Finally,the successful texture control inducted by 112¯0Al_(2)O_(3) single crystal seed can provide a promising orientation design pathway for faced oxide eutectic solidification.

Transient Liquid Phase Bonding of Ni-base Single Crystal Superalloy

The Ni-base single crystal superalloy was bonded by the transient liquid phase (TLP) bonding, using a Ni-base flexible metal cloth as an insert alloy. TLP bonding of superalloy was carried out at 1473-1523 K for 0.5-24 h in vacuum. The [001] orientation of each test specimen was aligned perpendicular to the joint interface. The bonded region was observed by optical microscopy, and the microstructural and compositional analyses across the bonded interlayer were performed by using a scanning electron microscopy (SEM). The electron back scattering diffraction (EBSD) method was applied to determine the crystallographic orientation. The results indicated that the chemical homogeneity across the bonded region can be achieved, and γ' phase both in the bonded interlayer and in the superalloy substrate is almost identical, while the bonded interlayer had almost matched the crystallographic orientation of the bonded substrates.

Precipitation of Epsilon Copper in Ferrite Antibacterial Stainless Steel

The precipitation of epsilon copper at 1023 K ageing in ferrite antibacterial stainless steel was investigated by a combination of electron microscopy and micro-Vickers hardness measurement. The results show that epsilon copper precipitation occurs within 90 s, Complex multilayer structure confirmed as twins and stacking faults on {111}ε-Cu planes was observed in the precipitates. The precipitates grow by the lengthwise enlargement of a set of parallel layers, having [111]ε-Cu and [112]ε-Cu preferred growth orientations. The volume fraction of precipitates f formed within 120 min can be predicted by a modified Avrami equation （In1/1-f= kt ＋ b）. Simultaneously, substituent atom clusters with a size of 5-10 nm was found to occur in the solution and cause matrix strain. The precipitate morphology and distribution on the surface of ferrite antibacterial stainless steel are associated with surface crystallographic orientation of the matrix. The precipitates are predominantly located within the ferrite grains of 〈110〉 orientation. The precipitates located on {111}α-Fe surface planes have sphere or ellipse shape.